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Solvent-dependent conductance decay constants in single cluster junctions | Single-molecule conductance measurements have focused primarily on organic molecular systems. Here, we carry out scanning tunneling microscope-based break-junction measurements on a series of metal chalcogenide Co 6 Se 8 clusters capped with conducting ligands of varying lengths. We compare these measurements with thos... | solvent-dependent_conductance_decay_constants_in_single_cluster_junctions | 2,400 | 99 | 24.242424 | Introduction<!>Results and discussion<!>Conclusions | <p>Controlling charge transport through molecular junctions is critical to the realization of nanoscale electronic devices. 1,2 While numerous organic molecules have been studied as connecting wires for single-molecule junction studies, [3][4][5][6][7][8][9][10] very little is known about the effect of metal complexes ... | Royal Society of Chemistry (RSC) |
Characterization of Frequency-chirped Dynamic Nuclear Polarization in Rotating Solids | Continuous wave (CW) dynamic nuclear polarization (DNP) is used with magic angle spinning (MAS) to enhance the typically poor sensitivity of nuclear magnetic resonance (NMR) by orders of magnitude. In a recent publication we show that further enhancement is obtained by using a frequency-agile gyrotron to chirp incident... | characterization_of_frequency-chirped_dynamic_nuclear_polarization_in_rotating_solids | 2,758 | 208 | 13.259615 | Introduction<!>NMR Experiments<!>7<!>Sample Preparation<!>Results and Discussion<!>Frequency-chirped DNP on a Model System<!>Frequency-chirped DNP in Intact Jurkat Cells<!>Power Dependence of CW and Frequency-chirped DNP<!>Characterization of Frequency-chirped DNP<!>Conclusion | <p>Dynamic nuclear polarization (DNP) is commonly used to improve the inherent insensitivity of nuclear magnetic resonance (NMR) spectroscopy [1][2][3][4][5][6][7][8][9][10][11][12][13]. Typically, only continuous wave (CW) microwave methods have been employed with magic angle spinning (MAS) DNP. The solid effect and t... | ChemRxiv |
Engineering forward genetics into cultured cancer cells for chemical target identification | Summary Target identification for biologically active small molecules remains a major barrier for drug discovery. Cancer cells exhibiting defective DNA mismatch repair (dMMR) have been used as a forward genetics system to uncover compound targets. However, this approach has been limited by the dearth of cancer cell lin... | engineering_forward_genetics_into_cultured_cancer_cells_for_chemical_target_identification | 3,370 | 120 | 28.083333 | Introduction<!>MSH2 deletion in cancer cell lines induces MSI and hypermutation<!>Engineered dMMR enables forward genetic screening in mammalian cancer cells<!>Discussion<!>LEAD CONTACT AND MATERIALS AVAILABILITY<!>EXPERIMENTAL MODEL AND SUBJECT DETAILS<!>sgRNAs, surveyor, CRISPR KO of MSH2, MLH1.<!>Western-blotting<!>... | <p>The identification of therapeutic targets in cancer can be divided into two complementary approaches. Target-based approaches use tumor sequencing or laboratory-based genetic studies to identify cancer driver genes followed by screening for small molecules that impair the protein products of cancer driver genes. Phe... | PubMed Author Manuscript |
Efficient oxidation of oleanolic acid derivatives using magnesium bis(monoperoxyphthalate) hexahydrate (MMPP): A convenient 2-step procedure towards 12-oxo-28-carboxylic acid derivatives | A new, straightforward and high yielding procedure to convert oleanolic acid derivatives into the corresponding δ-hydroxy-γ-lactones, by using the convenient oxidizing agent magnesium bis(monoperoxyphthalate) hexahydrate (MMPP) in refluxing acetonitrile, is reported. In addition, a two-step procedure for the preparatio... | efficient_oxidation_of_oleanolic_acid_derivatives_using_magnesium_bis(monoperoxyphthalate)_hexahydra | 1,408 | 73 | 19.287671 | Findings<!><!>Findings<!><!>Findings<!><!>Findings<!><!>Findings<!>Supporting Information<!> | <p>The molecular diversity that arises from research into natural products represents a valuable tool for driving drug discovery and development [1–2]. In this context, pentacyclic triterpenoids are currently regarded as important scaffolds for new drug development [3]. The chemistry of oleanane-type triterpenoids has ... | PubMed Open Access |
Spectral, thermal, antimicrobial studies for silver(I) complexes of pyrazolone derivatives | BackgroundSynthesize new complexes of Ag(I) to enhance efficacy or stability and also, pharmacological activities on the operation of pyrazolone's biological properties.ResultsEfficient and high yielding pathways starting from the versatile and readily available 3-methyl-1-phenyl-5-pyrazolone by Knoevenagel condensatio... | spectral,_thermal,_antimicrobial_studies_for_silver(i)_complexes_of_pyrazolone_derivatives | 1,891 | 138 | 13.702899 | Introduction<!><!>Infrared spectra<!><!>Thermal studies<!><!>Antimicrobial studies<!><!>Conclusion<!>Chemistry<!>Common 3-methyl-1-phenyl-5-pyrazolone synthesis technique (1)<!>Specific method for preparing derivatives of 4-arylidene-3-methyl-1-phenyl-5-pyrazolone (2a-c)<!>4-(4-dimethylamino benzylidene)-3-methyl-1-phe... | <p>Pyrazolone chemistry began in 1883 when Ludwig Knorr first reacted to phenyl hydrazine with aceto-acetate ester. As pyrazolones were discovered as binding components for azo dyes in the late 1800s, they rapidly increased in importance. Today, pyrazolon is still an significant trade precursor to dyes and pharmaceutic... | PubMed Open Access |
Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics | Liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) is a major analytical technique used for nontargeted identification of metabolites in biological fluids. Typically, in LC-ESI-MS/MS based database assisted structure elucidation pipelines, the exact mass of an unknown com... | evaluation_of_an_artificial_neural_network_retention_index_model_for_chemical_structure_identificati | 5,610 | 376 | 14.920213 | <!>Reagents and Chemicals.<!>Sample Preparation.<!>UPLC-ESI-MS/MS.<!>Retention Index Measurements.<!>Compound Set Diversity.<!>Data Analysis.<!>Candidate Structures.<!>Preprocessing of Candidates.<!>In Silico RI Prediction and Filtering.<!>In Silico Predictive Fragmenters.<!>Reduction in Candidate Set Sizes Upon RI Fil... | <p>The composition and concentrations of small molecule metabolites (20–1000 Da) in living organisms frequently change over time and represent the biochemical phenotype of an individual. These changes can be due to multiple factors including diet, time of day, environmental exposures, disease, drug exposures, genetic m... | PubMed Author Manuscript |
Direct Quantification of Cannabinoids and Cannabinoid Glucuronides in Whole Blood by Liquid Chromatography Tandem Mass Spectrometry | The first method for quantifying cannabinoids and cannabinoid glucuronides in whole blood by liquid chromatography-tandem mass spectrometry (LC-MS/MS) was developed and validated. Solid-phase extraction followed protein precipitation with acetonitrile. HPLC separation was achieved in 16 min via gradient elution. Electr... | direct_quantification_of_cannabinoids_and_cannabinoid_glucuronides_in_whole_blood_by_liquid_chromato | 4,081 | 169 | 24.147929 | Introduction<!>Clinical Samples<!>Instrumentation<!>Reagents<!>Preparation of Standard Solutions<!>Sample Preparation<!>Solid Phase Extraction<!>Liquid Chromatography<!>Mass Spectrometry<!>Data Analysis<!>Validation<!>Results and Discussion<!>Calibration and Validation<!>Application of Method<!>Conclusions | <p>Cannabis use substantially impacts public safety, as many individuals drive or operate complex equipment soon after self-administration. The National Highway Traffic Safety Administration (NHTSA) reported that in 2007, 8.6% of nighttime drivers tested positive for cannabinoids in blood and/or oral fluid, a rate almo... | PubMed Author Manuscript |
A relatively low level of ribosome depurination by mutant forms of ricin toxin A chain can trigger protein synthesis inhibition, cell signaling and apoptosis in mammalian cells | The A chain of the plant toxin ricin (RTA) is an N-glycosidase that inhibits protein synthesis by removing a specific adenine from the 28S rRNA. RTA also induces ribotoxic stress, which activates stress-induced cell signaling cascades and apoptosis. However, the mechanistic relationship between depurination, protein sy... | a_relatively_low_level_of_ribosome_depurination_by_mutant_forms_of_ricin_toxin_a_chain_can_trigger_p | 4,477 | 232 | 19.297414 | 1. Introduction<!>2.1. Reagents<!>2.2 Mutant RTA plasmid construction<!>2.3. Cell culture<!>2.4. Transfection<!>2.5. Western immunoblotting<!>2.6. rRNA depurination assays<!>2.7. Protein synthesis inhibition assay<!>2.8. Caspase 3/7 assay<!>2.9. Nucleosome accumulation assay<!>2.10. Statistical analysis<!>3.1. The nati... | <p>The plant toxin ricin is produced by the castor bean plant Ricinus communis and belongs to a family of ribosome-inactivating proteins (RIPs). Its severe toxicity and wide availability has led to its use as an agent of bioterrorism (Rainey and Young, 2004, Audi et al., 2005). In addition, ricin has been investigated ... | PubMed Author Manuscript |
Synthesis, Structural Characterization, and Antibacterial Activity of Novel Erbium(III) Complex Containing Antimony | The novel 3D edta-linked heterometallic complex [Sb2Er(edta)2(H2O)4]NO3·4H2O (H4edta = ethylenediaminetetraacetic acid) was synthesized and characterized by elemental analyses, single-crystal X-ray diffraction, powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermal analysis. The com... | synthesis,_structural_characterization,_and_antibacterial_activity_of_novel_erbium(iii)_complex_cont | 2,533 | 208 | 12.177885 | 1. Introduction<!>2.1. Materials and Physical Measurements<!>2.2. Synthesis of [Sb2Er(edta)2(H2O)4]NO3·4H2O<!>2.3. X-Ray Cystallography<!>3. Results and Discussion<!>3.1. Crystal Structure Analysis<!>3.2. FTIR Spectrum<!>3.3. Thermal Analysis<!>3.4. Antimicrobial Activity<!>4. Conclusions | <p>Much attention is currently focused on the rational design and controlled synthesis of metal-organic complexes with novel topological structure because of various potential applications of these complexes as function materials, catalysts, and medicaments [1–5]. Metal-based drugs continue to play a very important rol... | PubMed Open Access |
Physico-chemical properties and catalytic activity of the sol-gel prepared Ce-ion doped LaMnO3 perovskites | Ce-doped LaMno 3 perovskite ceramics (La 1−x Ce x Mno 3 ) were synthesized by sol-gel based coprecipitation method and tested for the oxidation of benzyl alcohol using molecular oxygen. Benzyl alcohol conversion of ca. 25-42% was achieved with benzaldehyde as the main product. X-ray diffraction (XRD), thermogravimetric... | physico-chemical_properties_and_catalytic_activity_of_the_sol-gel_prepared_ce-ion_doped_lamno3_perov | 5,446 | 213 | 25.568075 | <!>Catalyst characterization.<!>Specific activity<!>Results and Discussion<!>Redox properties (tpR/tpo).<!>Catalytic reaction.<!>Conclusions | <p>Presently, perovskite-based materials are gaining immense popularity in the field of material science due to their extraordinary optical, electro-magnetic properties. Perovskite materials mostly applied for removing common exhaust pollutants including carbon monoxide, hydrocarbon, ammonia oxidation, water dissociati... | Scientific Reports - Nature |
Redox-Responsive Protein Design: Design of a Small Protein Motif Dependent on Glutathionylation | Cysteine S-glutathionylation is a protein post-translational modification that promotes cellular responses to changes in oxidative conditions. The design of protein motifs that directly depend on defined changes to protein side chains provides new methods to probe diverse protein post-translational modifications. A can... | redox-responsive_protein_design:_design_of_a_small_protein_motif_dependent_on_glutathionylation | 2,796 | 189 | 14.793651 | Introduction<!>Peptide synthesis.<!>Fluorescence spectroscopy.<!>NMR spectroscopy.<!>Results and Discussion | <p>Protein structure and function are responsive to diverse protein post-translational modifications, including phosphorylation, glycosylation, lipidation, acylation, alkylation, and oxidation. Protein post-translational modifications may be effected enzymatically (e.g. phosphorylation, O-GlcNAcylation, lysine acetylat... | PubMed Author Manuscript |
Discovery, synthesis and characterization of a series of\n(1-alkyl-3-methyl-1H-pyrazol-5-yl)-2-(5-aryl-2H-tetrazol-2-yl)acetamides\nas novel GIRK1/2 potassium channel activators | The present study describes the discovery and characterization of a series of 5-aryl-2H-tetrazol-3-ylacetamides as G protein-gated inwardly-rectifying potassium (GIRK) channels activators. Working from an initial hit discovered during a high-throughput screening campaign, we identified a tetrazole scaffold that shifts ... | discovery,_synthesis_and_characterization_of_a_series_of\n(1-alkyl-3-methyl-1h-pyrazol-5-yl)-2-(5-ar | 1,543 | 83 | 18.590361 | <p>G protein-gated inwardly-rectifying potassium channels (GIRK), also known as
Kir3, are a family of inwardly-rectifying potassium channels that are key
effectors in GPCR signaling pathways that modulate excitability in cells.1,2
In mammals, four GIRK channel subunits are expressed, GIRK1–4
(Kir3.1–3.4), which form ei... | PubMed Author Manuscript | |
A Reversible Protection Strategy to Improve Fmoc-SPPS of Peptide Thioesters by the N-Acylurea Approach | C-terminal peptide thioesters are an essential component of the native chemical ligation approach for the preparation of fully- or semi-synthetic proteins. However, efficient generation of C-terminal thioesters via Fmoc solid phase peptide synthesis remains a challenge. The recent N-acylurea approach to thioester synth... | a_reversible_protection_strategy_to_improve_fmoc-spps_of_peptide_thioesters_by_the_n-acylurea_approa | 3,706 | 177 | 20.937853 | Introduction<!>Unprotected Dbz linker is susceptible to over-acylation during peptide synthesis of Gly-rich sequences<!>Exploring the parameters of over-acylation<!>Alloc protection for Dbz<!>Preparation of Fmoc-AA-Dbz(Alloc) Resins<!>Synthesis of Gly-rich sequences on protected Dbz(Alloc) resin<!>Synthesis of a 44-res... | <p>Thioester peptides are a central requirement for native chemical ligation, often used for the synthesis and semi-synthesis of proteins for biochemical and biophysical studies.[1] Techniques for the preparation of peptide thioesters are of ongoing interest to the field of chemical biology. Thioester peptides are read... | PubMed Author Manuscript |
Cheminformatics studies to analyze the therapeutic potential of phytochemicals from Rhazya stricta | Rhazya stricta is a unique medicinal plant source for many indole alkaloids, non-alkaloids, flavonoids, triterpenes and other unknown molecules with tremendous potential for therapeutic applications against many diseases. In the present article, we generated computational data on predictive properties and activity acro... | cheminformatics_studies_to_analyze_the_therapeutic_potential_of_phytochemicals_from_rhazya_stricta | 1,388 | 141 | 9.843972 | Background<!><!>PASS—prediction of activity spectra for substances<!><!>SuperPred—predicted target interactions<!>SwissTarget prediction<!> | <p>Rhazya stricta Decsne (Apocynaceae family), a traditional herbal medicinal plant from Western and South Asia, has been shown to have multiple pharmacological effects due to the presence of over 100 alkaloids [1–3]. The chemical constituents of this plant (R. stricta) may possess biological activities of antifungal, ... | PubMed Open Access |
Selective degradation of plasmid-derived mRNAs by MCPIP1 RNase | Detection and degradation of foreign nucleic acids is an ancient form of host defense. However, the underlying mechanisms are not completely clear. MCPIP1 is an endoribonuclease and an important regulator in both innate and adaptive immunity by targeting inflammatory mRNA degradation. Here we report that MCPIP1 RNase c... | selective_degradation_of_plasmid-derived_mrnas_by_mcpip1_rnase | 3,255 | 193 | 16.865285 | Introduction<!>Cells<!>Plasmids<!>Reagents<!>Transfection<!>RNA isolation and northern blot<!>Quantitative real-time PCR<!>DNA isolation and PCR<!>Protein isolation and western blot<!>In vitro mRNA cleavage<!>Virus<!>Statistics<!>MCPIP1 expression suppresses reporter expression in co-transfection experiments<!>MCPIP1 s... | <p>Detection and degradation of foreign nucleic acids is an ancient form of host defense. In mammalian, two complementary systems link foreign nucleic acid detection to the interferon-mediated antiviral response. One system consists of several Toll-like receptors (TLRs) including TLR3, TLR5, TLR7 and TLR9 [1]; the othe... | PubMed Author Manuscript |
Hierarchy of RNA Functional Dynamics | RNA dynamics play a fundamental role in many cellular functions. However, a general framework is lacking to describe these complex processes, which typically consist of many structural maneuvers taking place over timescales ranging from picoseconds to seconds. Here we classify RNA dynamics into distinct modes represent... | hierarchy_of_rna_functional_dynamics | 6,432 | 116 | 55.448276 | INTRODUCTION<!>DECOMPOSING RNA DYNAMICS INTO HIERARCHICAL MOTIONS<!>Overview<!>Biological significance<!>TIER 1: BASE-PAIR AND TERTIARY DYNAMICS<!>Overview<!>Biological significance<!>Overview<!>Biological significance<!>Overview<!>Biological significance<!>Overview<!>Biological significance<!>TIER 2: JITTERING DYNAMIC... | <p>Composed of only four chemically similar nucleotides, RNA was long thought to lack the chemical and structural complexity needed to drive biochemical processes that power living cells, limited instead to a role as a rudimentary messenger. However, discoveries in molecular biology over the past three decades have sho... | PubMed Author Manuscript |
Dynamic and thermodynamic characteristics associated with the glass transition of amorphous trehalose-water mixtures | The glass transition temperature Tg of biopreservative formulations is important for predicting the longterm storage of biological specimens. As a complementary tool to thermal analysis techniques, which are the mainstay for determining Tg, molecular dynamics simulations have been successfully applied to predict the Tg... | dynamic_and_thermodynamic_characteristics_associated_with_the_glass_transition_of_amorphous_trehalos | 5,431 | 242 | 22.442149 | Introduction<!>Simulation details<!>Specific heat capacity<!>Self-diffusion coefficient<!>Hydrogen-bonding<!>Determining Tg from CP(T)<!>Determining Tg from Dw(T) and Dtre(T)<!>Supplemented phase diagram of the trehalose-water binary mixtures<!>H-bonding characteristics<!>Self-aggregation of trehalose molecules<!>Concl... | <p>Vitrification is a frequently-used approach to realize the goals of long-term preservation of living cells and tissues at either cryogenic or room temperatures (i.e., cryopreservation and dry preservation). The vitrified or glassy state is a metastable supercooled or supersaturated state characterized by very low mo... | PubMed Author Manuscript |
Branched Polyphosphazenes with Controlled Dimensions | Using living cationic polymerization, a series of polyphosphazenes is prepared with precisely controlled molecular weights and narrow polydispersities. As well as varying chain length through the use of a living polymerization, amine-capped polyalkylene oxide (Jeffamine) side chains with varied lengths are grafted to t... | branched_polyphosphazenes_with_controlled_dimensions | 2,738 | 146 | 18.753425 | INTRODUCTION<!>Materials and Characterization<!>Synthesis of Cl3PNSiMe3<!>Synthesis of Poly(dichlorophosphazene)<!>Synthesis of Polymers 1\xe2\x80\x938<!>Synthesis of Polymer 9<!>Synthesis of Polymers 10\xe2\x80\x9311<!>Polymer Synthesis<!>Molecular Weight Investigations<!>Hydrodynamic Volume<!>Thiolactone-thiol-yne Ad... | <p>Poly(organophosphazenes) are inorganic–organic hybrid polymers with an alternating phosphorus and nitrogen backbone. The hydrolytically instable precursor, poly(dichlorophosphazene), can be readily substituted with a variety of nucleophilic substituents to give poly(organophosphazenes) with a wide range of propertie... | PubMed Author Manuscript |
Protein Conjugation with Triazolinediones: Switching from a General Tyrosine-Selective Labeling Method to a Highly Specific Tryptophan Bioconjugation Strategy | Selective labeling of tyrosine residues in peptides and proteins can be achieved via a 'tyrosine-click' reaction with triazolinedione reagents (TAD). We have found that tryptophan residues are in fact often also labeled with this reagent. This off-target labeling is only observed at very low levels in protein bioconjug... | protein_conjugation_with_triazolinediones:_switching_from_a_general_tyrosine-selective_labeling_meth | 1,253 | 187 | 6.700535 | <!>Entry Sequence 1a | <p>Site-selective protein modification is of utmost importance for many applications from fundamental biology (fluorescent tagging) to therapeutic development (antibody-drug conjugates). 1,2,3,4 While amino acid selectivity can be achieved by exploiting the nucleophilic functionalities of e.g. lysines and cysteines, 5,... | ChemRxiv |
Synthesis of new 2-amino-1,3,4-oxadiazole derivatives with anti-salmonella typhi activity evaluation | Reaction of phenyl acetic acid derivatives with thiosemicarbazide in the presence of POCl3 afforded 5-(4-bromobenzyl)-1,3,4-oxadiazole-2-amine 1 and 5-(3-nitrophenyl)-1,3,4-oxadiazole -2-amine 2. Acylation of the amino group of oxadiazoles 1 and 2 with some acid chlorides such as methyl 4-(chlorocarbonyl) benzoate, 3-n... | synthesis_of_new_2-amino-1,3,4-oxadiazole_derivatives_with_anti-salmonella_typhi_activity_evaluation | 2,529 | 146 | 17.321918 | Introduction<!>Results and discussion<!><!>Results and discussion<!><!>Structure confirmation<!><!>Experimental<!>Synthesis of 5-(4-bromobenzyl)-1,3,4-oxadiazole-2-amine (1) and 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-amine (2)<!>5-(4-Bromobenzyl)-1,3,4-oxadiazole-2-amine 1<!>5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-amine 2<!... | <p>Oxadiazoles derivatives represent an important class of heterocyclic compounds with broad spectrum of biological activity. Oxadiazoles have been reported to possess anti-inflammatory [1, 2], anti-HIV [3], antibacterial [4, 5], anticonvulsant activities [6], antimalarial [7], herbicidal [8], antianxiety [9], insectic... | PubMed Open Access |
Synthesis, antitumor activity, and molecular docking study of 2-cyclopentyloxyanisole derivatives: mechanistic study of enzyme inhibition | AbstractA series of 24 compounds was synthesised based on a 2-cyclopentyloxyanisole scaffold 3–14 and their in vitro antitumor activity was evaluated. Compounds 4a, 4b, 6b, 7b, 13, and 14 had the most potent antitumor activity (IC50 range: 5.13–17.95 μM), compared to those of the reference drugs celecoxib, afatinib, an... | synthesis,_antitumor_activity,_and_molecular_docking_study_of_2-cyclopentyloxyanisole_derivatives:_m | 6,443 | 197 | 32.705584 | <!>Introduction<!><!>Introduction<!>Chemistry<!>Synthesis of compounds 3a–c, 4a, and 4b<!><!>2-(3-(Cyclopentyloxy)-4-methoxybenzylidene)cyclopentanone (3a)<!>2-(3-(Cyclopentyloxy)-4-methoxybenzylidene)cyclohexanone (3b)<!>2-(3-(Cyclopentyloxy)-4-methoxybenzylidene)cycloheptanone (3c)<!>3-(3-(Cyclopentyloxy)-4-methoxybe... | <p>Antitumor activity of new synthesized cyclopentyloxyanisole scaffold was evaluated.</p><p>The powerful antitumor 4a, 4b, 6b, 7b & 13 were assessed as COX-2, PDE4B & TNF-α inhibitors.</p><p>Compounds 4a, 7b, and 13 exhibited COX-2, PDE4B, and TNF-α inhibition.</p><p>Compounds 4b and 13 showed strong interactions at t... | PubMed Open Access |
Diels–Alder reactions of myrcene using intensified continuous-flow reactors | This work describes the Diels-Alder reaction of the naturally occurring substituted butadiene, myrcene, with a range of different naturally occurring and synthetic dienophiles. The synthesis of the Diels-Alder adduct from myrcene and acrylic acid, containing surfactant properties, was scaled-up in a plate-type continuo... | diels–alder_reactions_of_myrcene_using_intensified_continuous-flow_reactors | 2,899 | 92 | 31.51087 | Introduction<!>Results and Discussion<!>Conclusion<!>Experimental Materials and analysis<!>Batch Diels-Alder reaction<!>Continuous-flow Diels-Alder reaction using a Vapourtec R2/R4 flow reactor<!>Continuous-flow Diels-Alder reaction using a Chemtrix MR260 flow reactor | <p>Over the past years, great attention has been devoted to finding alternative, renewable feedstocks to fossil oil for the production of fuel and industrial chemicals. Especially, high value added products from fine chemicals, specialty chemicals or the pharmaceuticals sector allow for a 'drop-in' replacement of exist... | Beilstein |
Organocatalytic reductive coupling of aldehydes with 1,1-diarylethylenes using an <i>in situ</i> generated pyridine-boryl radical | Organocatalytic reductive coupling of aldehydes with 1,1-diarylethylenes using an in situ generated pyridine-boryl radical A pyridine-boryl radical promoted reductive coupling reaction of aldehydes with 1,1-diarylethylenes has been established via a combination of computational and experimental studies. Density functio... | organocatalytic_reductive_coupling_of_aldehydes_with_1,1-diarylethylenes_using_an_<i>in_situ</i>_gen | 2,352 | 81 | 29.037037 | <!>Results and discussion<!>Conclusions<!>Conflicts of interest | <p>Organocatalytic reductive coupling of aldehydes with 1,1-diarylethylenes using an in situ generated pyridine-boryl radical † Introduction Carbon-carbon bond formation is the most important transformation in organic synthesis. 1 The catalytic reductive coupling of olens with carbonyl compounds is one of the most eco... | Royal Society of Chemistry (RSC) |
A rapid method for quantification of persistent and mobile organic substances in water using supercritical fluid chromatography coupled to high-resolution mass spectrometry | Persistent and mobile organic substances (PM substances) are a threat to the quality of our water resources. While screening studies revealed widespread occurrence of many PM substances, rapid trace analytical methods for their quantification in large sample sets are missing. We developed a quick and generic analytical... | a_rapid_method_for_quantification_of_persistent_and_mobile_organic_substances_in_water_using_supercr | 4,052 | 254 | 15.952756 | Introduction<!><!>Water samples<!>Sample preparation<!>Instrumental analysis<!>Quantification<!>Method performance validation<!>Instrumental blanks, instrumental detection limits, and linearity<!>Apparent recoveries (sample preparation recoveries and matrix effects)<!>Procedural blanks and method detection and quantifi... | <p>Persistent and mobile organic substances (PM substances, also referred to as PMOCs) are characterized by a high environmental stability and a very low potential to sorb to surfaces [1, 2]. PM substances that are emitted into the environment [3] would thus partition to and stay in the water phase and penetrate natura... | PubMed Open Access |
Proteomic discovery of substrates of the cardiovascular protease ADAMTS7 | The protease ADAMTS7 functions in the extracellular matrix (ECM) of the cardiovascular system. However, its physiological substrate specificity and mechanism of regulation remain to be explored. To address this, we conducted an unbiased substrate analysis using terminal amine isotopic labeling of substrates (TAILS). Th... | proteomic_discovery_of_substrates_of_the_cardiovascular_protease_adamts7 | 4,937 | 232 | 21.280172 | Introduction<!><!>Introduction<!>TAILS analysis<!>Autolysis at Glu-Ala/Val bonds<!><!>Autolysis at Glu-Ala/Val bonds<!><!>ADAMTS7 cleaves LTBP4<!><!>ADAMTS7 cleaves LTBP4<!>TIMP-4 is an efficient inhibitor of ADAMTS7<!><!>Discussion<!>Generation of expression vectors<!>iTRAQ-TAILS<!>Expression and purification of ADAMT... | <p>ADAMTS7 is an extracellular metalloprotease and 1 of 19 human ADAMTS family members (1). It is a large protein (>250 kDa), consisting of 15 domains (Fig. 1A). A Prodomain, located N-terminal to the metalloprotease (MP)2 domain, is predicted to maintain latency until it is removed by proprotein convertases. The MP do... | PubMed Open Access |
Cathepsin-Mediated Cleavage of Peptides from Peptide Amphiphiles Leads to Enhanced Intracellular Peptide Accumulation | Peptides synthesized in the likeness of their native interaction domain(s) are natural choices to target protein\xe2\x80\x93protein interactions (PPIs) due to their fidelity of orthostatic contact points between binding partners. Despite therapeutic promise, intracellular delivery of biofunctional peptides at concentra... | cathepsin-mediated_cleavage_of_peptides_from_peptide_amphiphiles_leads_to_enhanced_intracellular_pep | 4,710 | 199 | 23.668342 | INTRODUCTION<!>CatB-Cleavable Linker Evaluation<!>CatB-Cleavable PAs with FRET Chromophores<!>Intracellular Accumulation of PA Components<!>PA Component Intracellular Cleavage and Trafficking<!>Extracellular Trafficking of Intact PA Monomers and Individual PA Components<!>CONCLUSIONS<!>Peptide Amphiphile Synthesis<!>Mi... | <p>Recent advances in genomics and computational methods have identified ~650,000 essential intracellular protein–protein interactions (PPIs) within the human interactome responsible for normal cellular homeostasis, and of these, many also perpetuate malignant transformation.1,2 One example of such a protein is p53, a ... | PubMed Author Manuscript |
Bright and stable luminescent probes for target engagement profiling in live cells | The pace of progress in biomedical research directly depends on techniques that enable the quantitative interrogation of interactions between proteins and other biopolymers, or with their small molecule ligands. Here, time-resolved F\xc3\xb6rster resonance energy transfer (TR-FRET) assay platforms offer high sensitivit... | bright_and_stable_luminescent_probes_for_target_engagement_profiling_in_live_cells | 13,746 | 148 | 92.878378 | Introduction<!>CoraFluor design and synthetic methodology development<!>Photophysical and physicochemical characterization<!>CoraFluors are suited for homogenous biochemical assays<!>Domain-specific characterization of Keap1 ligands<!>CoraFluors enable target engagement studies in live cells<!>Discussion<!>Photophysica... | <p>Fluorescence-based technologies are critical for life science research and clinical diagnostics. Most high-throughput assays are based on various modes of fluorescence detection due to their high sensitivity, large dynamic range, signal stability, variety of readily accessible fluorophores, and ease of operation1–3.... | PubMed Author Manuscript |
Evaluating performance and cycle life improvements in the latest generations of prismatic lithium-ion batteries | The last decade has seen an enormous improvement of energy density for lithium-ion battery cells, particularly for automotive grade cells intended for use in electrified vehicles. This has led to vastly improved range for battery electric vehicles as well as for plug-in hybrids. However, the challenge of uncertain batt... | evaluating_performance_and_cycle_life_improvements_in_the_latest_generations_of_prismatic_lithium-io | 3,914 | 215 | 18.204651 | Introduction<!>Experimental<!>Capacity<!>Direct current internal resistance<!>Qualitative capacity loss analysis<!>dQ/dV-plots for a) cell type A at 1C charge, b) cell type A at 3C charge, c) cell type B at 1C charge, d) cell type B at 3C charge, e) cell type C at 1C charge and f) cell type C at 3C charge and calendar ... | <p>Electrified vehicles such as hybrid electric vehicles (HEV), plug-in hybrid electric vehicles (PHEV), battery electric vehicles (BEV) and fuel cell electric vehicles (FCEV) are now established on the market. The powertrain technology has been proven for both passenger cars and commercial vehicles such as buses and t... | ChemRxiv |
Humanin Blocks the Aggregation of Amyloid-\xce\xb2 Induced by Acetylcholinesterase, an Effect Abolished in the Presence of IGFBP-3 | It is known that the humanin (HN) peptide binding to amyloid-\xce\xb2 (A\xce\xb2) protects against its cytotoxic effects, while acetylcholinesterase (AChE) binding to A\xce\xb2 increases its aggregation and cytotoxicity. HN is also known to bind the insulin-like growth factor binding protein-3 (IGFBP-3). Here, we exami... | humanin_blocks_the_aggregation_of_amyloid-\xce\xb2_induced_by_acetylcholinesterase,_an_effect_abolis | 11,681 | 269 | 43.423792 | <!>Materials.<!>Cell Culture.<!>ELISA.<!>Quantitation of A\xce\xb2.<!>Dot Blotting.<!>Thioflavin T (ThT) A\xce\xb2 Aggregation Assay.<!>Immunodepletion.<!>MTT Assay.<!>Apoptosis Assays.<!>Statistical Analysis.<!>IGFBP-3 Blocks the Binding of HN to A\xce\xb2 in the Absence or Presence of AChE.<!>Both HN and AChE Can Sim... | <p>Amyloid-β (Aβ), produced by almost all types of cells, is well recognized for its importance in the different stages of the development and progression of Alzheimer's disease (AD).1-5 The approximately 4 kDa Aβ peptide is generated when the higher molecular weight amyloid precursor protein is sequentially processed ... | PubMed Author Manuscript |
Chemical Synthesis of the Lantibiotic Lacticin 481 Reveals the Importance of Lanthionine Stereochemistry | Lantibiotics are a family of antibacterial peptide natural products characterized by the posttranslational installation of the thioether-containing amino acids lanthionine and methyllanthionine. Until recently, only a single stereochemical configuration for each of these crosslinks was known in Nature. The discovery of... | chemical_synthesis_of_the_lantibiotic_lacticin_481_reveals_the_importance_of_lanthionine_stereochemi | 1,837 | 106 | 17.330189 | <p>Ribosomally synthesized and post-translationally modified peptides (RiPPs) have become recognized as a major class of natural products.1,2 The structural and functional diversity of RiPPs has expanded greatly in recent years because of the growing availability of sequenced genomes and application of bioinformatic an... | PubMed Author Manuscript | |
Life without double-headed non-muscle myosin II motor proteins | Non-muscle myosin II motor proteins (myosin IIA, myosin IIB, and myosin IIC) belong to a class of molecular motor proteins that are known to transduce cellular free-energy into biological work more efficiently than man-made combustion engines. Nature has given a single myosin II motor protein for lower eukaryotes and m... | life_without_double-headed_non-muscle_myosin_ii_motor_proteins | 6,044 | 258 | 23.426357 | Introduction<!>Class II myosins (myosin II)<!><!>Class II myosins (myosin II)<!>Non-muscle myosin II complex<!>RLC phosphorylation in regulating myosin II activity<!><!>RLC phosphorylation in regulating myosin II activity<!>MHC phosphorylation in regulating myosin II activity<!><!>MHC phosphorylation in regulating myos... | <p>Machines are involved in driving virtually every aspect of modern human life, and so are myosin motor proteins in driving cellular life. Myosin motor proteins are specialized molecular machines that convert cellular free-energy into mechanical work (Bustamante et al., 2004). It is largely believed that the myosin-pe... | PubMed Open Access |
Synthesis and Evaluation of an Anti-MLC1 \xc3\x97 Anti-CD90 Bispecific Antibody for Targeting and Retaining Bone-Marrow Derived Multipotent Stromal Cells in Infarcted Myocardium | A key issue regarding the use of stem cells in cardiovascular regenerative medicine is their retention in target tissues. Here, we have generated and assessed a bispecific antibody heterodimer designed to improve the retention of bone marrow\xe2\x80\x93derived multipotent stromal cells (BMMSC) in cardiac tissue damaged... | synthesis_and_evaluation_of_an_anti-mlc1_\xc3\x97_anti-cd90_bispecific_antibody_for_targeting_and_re | 3,730 | 296 | 12.601351 | INTRODUCTION<!>S-HyNic Modification of Anti-MLC1 Antibody<!>4FB(PEG)4-PFP Modification of Anti-CD90 Antibody<!>Measurement of Molar Substitution Ratio<!>ELISA Procedure<!>Pig Bone Marrow\xe2\x80\x93derived Multipotent Stromal Cells<!>Bone Marrow\xe2\x80\x93derived Multipotent Stromal Cells Differentiation Assays<!>Flow... | <p>Stem cell therapy is a promising therapeutic modality for restoring cardiac function in cardiovascular disease.1, 2 The preclinical findings that bone marrow–derived multipotent stromal cells (BMMSCs) effect tissue repair3 and have immunomodulatory activity4 have led to the clinical testing of these cells in the tre... | PubMed Author Manuscript |
The chemical behavior of terminally tert-butylated polyolefins | The chemical behavior of various oligoenes 2 has been studied. The catalytic hydrogenation of diene 3 yielded monoene 4. Triene 7 was hydrogenated to diene 8, monoene 9 and saturated hydrocarbon 10. Bromine addition to 3 and 7 yielded the dibromides 17 and 18, respectively, i.e., the oligoene system has been attacked a... | the_chemical_behavior_of_terminally_tert-butylated_polyolefins | 4,087 | 292 | 13.996575 | <!>Introduction<!><!>Introduction<!>Catalytic hydrogenation<!><!>Catalytic hydrogenation<!><!>Catalytic hydrogenation<!><!>Catalytic hydrogenation<!>Brominations<!><!>Brominations<!><!>Brominations<!><!>Brominations<!><!>Brominations<!>Epoxidations<!><!>Epoxidations<!><!>Epoxidations<!>Diels–Alder reactions<!><!>Diels–... | <p>Highly Hindered Olefins and Polyolefins, Part XVII; for part XVI see [1]. Dedicated to Professor Dr. Dietrich Spitzner on the occasion of his 75th birthday.</p><!><p>Several years ago we described [2] a general synthesis of a series of terminally substituted, conjugated polyenes, 2, beginning with the diene and endi... | PubMed Open Access |
The potential of JAK/STAT pathway inhibition as a New Treatment Strategy to Control Cytokine Release Syndrome in COVID-19 | COVID-19, a pandemic affecting virus, which is caused by the current SARS-CoV2 coronavirus. The present research is performed on anti virus and immune-modulating therapies. Cytokine storms are the toxic drivers and mortality caused by various human viral infections. In addition, the intensity was linked to an elevated ... | the_potential_of_jak/stat_pathway_inhibition_as_a_new_treatment_strategy_to_control_cytokine_release | 1,726 | 137 | 12.59854 | Introduction:<!>Results and discussion<!>Name<!>Compliance with ethical guidelines Conflict of interest: | <p>A new coronavirus disease with high mortality, emerging as pandemic disease, is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Despite many public health initiatives, pharmacological therapies remain desperately required to treat patients affected, to decrease mortality, and to limit virus sheddin... | ChemRxiv |
Biologically Relevant Chemical Properties of Peroxymonophosphate (=O3POOH) | It has been suggested that peroxymonophosphate could serve as an endogenous hydrogen peroxide-derived regulator of cellular protein tyrosine phosphatase activity under physiological or pathophysiological conditions. To facilitate further consideration of the potential role of peroxymonophosphate in biological systems w... | biologically_relevant_chemical_properties_of_peroxymonophosphate_(=o3pooh) | 1,580 | 53 | 29.811321 | <p>Hydrogen peroxide has emerged as a signaling agent that regulates cellular responses to a variety of extracellular stimuli including insulin, epidermal growth factor, platelet-derived grown factor, endothelin-1 and B-cell receptor stimulation.1 H2O2 is generated by NADPH oxidase enzymes (Nox), which are activated by... | PubMed Author Manuscript | |
Enantioselective phase-transfer catalyzed alkylation of 1-methyl-7-methoxy-2-tetralone: an effective route to dezocine | In order to prepare asymmetrically (R)-(+)-1-(5-bromopentyl)-1-methyl-7-methoxy-2-tetralone (3a), a key intermediate of dezocine, 17 cinchona alkaloid-derived catalysts were prepared and screened for the enantioselective alkylation of 1-methyl-7methoxy-2-tetralone with 1,5-dibromopentane, and the best catalyst (C7) was... | enantioselective_phase-transfer_catalyzed_alkylation_of_1-methyl-7-methoxy-2-tetralone:_an_effective | 1,629 | 52 | 31.326923 | Introduction<!>Results and Discussion<!>Scheme 3:<!>Conclusion<!>Experimental<!>Supporting Information<!>ORCID ® iDs | <p>The preparation of enantiomerically pure compounds has become a stringent requirement for pharmaceutical synthesis [1]. In this context, asymmetric catalysis is probably one of the most attractive procedures for the synthesis of active pharmaceutical ingredients (APIs) due to environmental, operational, and economic... | Beilstein |
Novel Inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose Reductase (RmlD) Identified by Virtual Screening | The complex and highly impermeable cell wall of Mycobacterium tuberculosis (Mtb) is largely responsible for the ability of the mycobacterium to resist the action of chemical therapeutics. An L-rhamnosyl residue, which occupies an important anchoring position in the Mtb cell wall, is an attractive target for novel anti-... | novel_inhibitors_of_mycobacterium_tuberculosis_dtdp-6-deoxy-l-lyxo-4-hexulose_reductase_(rmld)_ident | 2,098 | 130 | 16.138462 | <p>Tuberculosis (TB) is an infectious disease caused by the pathogen Mycobacterium tuberculosis (Mtb), which claims nearly two million lives each year [1]. Since no new anti-TB drug has been introduced in the past 40 years, novel therapeutics are in urgent need to treat both drug-susceptible TB and the increasingly com... | PubMed Author Manuscript | |
The role of extracellular matrix components in pin bone attachments during storage—a comparison between farmed Atlantic salmon (Salmo salar) and cod (Gadus morhua L.) | Pin bones represent a major problem for processing and quality of fish products. Development of methods of removal requires better knowledge of the pin bones’ attachment to the muscle and structures involved in the breakdown during loosening. In this study, pin bones from cod and salmon were dissected from fish fillets... | the_role_of_extracellular_matrix_components_in_pin_bone_attachments_during_storage—a_comparison_betw | 5,289 | 274 | 19.30292 | Introduction<!>Antibodies<!>Sampling<!>Histology<!>Immunohistochemistry<!>Microarray analysis<!>Proteome analysis<!><!>Differences in gene expression in the pin bone area compared to the muscle of cod and salmon<!><!>Discussion<!>The protein composition in the pin bone CT changes during postmortem storage<!>The composi... | <p>False ribs, also called pin bones, are bones that extend into the muscle tissue. So far, little is known about how the pin bones are attached to the muscle and if there are differences in biological composition and morphology between salmon and whitefish. The connective tissue (CT) of fish is composed of cells and e... | PubMed Open Access |
De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids | The synthesis of the stereotriad core in the eastern portion of the Veratrum alkaloids jervine (1), cyclopamine (2), and veratramine (3) is reported. Starting from a known \xce\xb2-methyltyrosine derivative (8), the route utilizes a diastereoselective substrate-controlled 1,2-reduction to establish the stereochemistry ... | de_novo_synthesis_of_the_def-ring_stereotriad_core_of_the_veratrum_alkaloids | 5,160 | 74 | 69.72973 | <!>General Comments.<!>(\xc2\xb1)-N-(1-(Methoxy(methyl)amino)-3-(4-methoxyphenyl)-1-oxobutan-2-yl)benzamide (9).<!>(\xc2\xb1)-N-(2-(4-Methoxyphenyl)-6-methyl-4-oxohept-6-en-3-yl)-benzamide (11).<!>(\xc2\xb1)-N-(4-Hydroxy-2-(4-methoxyphenyl)-6-methylhept-6-en-3-yl)benzamide (12).<!>(\xc2\xb1)-N-(4-Hydroxy-2-(4-methoxyph... | <p>The abundance of natural products with unique and desirable biological properties provides chemists with a diverse array of challenges and inspiration for the development of new synthetic strategies and tactics. Jervine (1), cyclopamine (2), and veratramine (3) are representative members of the Veratrum steroidal al... | PubMed Author Manuscript |
Designing and Immunomodulating Multiresponsive Nanomaterial for Cancer Theranostics | Cancer has been widely investigated yet limited in its manifestation. Cancer treatment holds innovative and futuristic strategies considering high disease heterogeneity. Chemotherapy, radiotherapy and surgery are the most explored pillars; however optimal therapeutic window and patient compliance recruit constraints. R... | designing_and_immunomodulating_multiresponsive_nanomaterial_for_cancer_theranostics | 8,811 | 189 | 46.619048 | Introduction<!><!>Introduction<!>Classification and Characteristics of Nanomaterials for Cancer Immunotheranostic<!>Inorganic Nanoparticles<!>Organic Nanoparticles<!>Inorganic/Organic Hybrid Nanoparticles<!><!>Approaches for Cancer Immunomodulated Biomaterial System<!><!>Immune Cell Utilization<!><!>Immune Cell Utiliza... | <p>Cancer is a notable disease indexing high mortality rate worldwide as statistics had estimated approximately 18 million emerging cases and 9.6 million deaths during 2018 (Bray et al., 2018; Siegel et al., 2020). Amongst which Asian countries, lung cancer in male and breast cancer in female leads the chart with sever... | PubMed Open Access |
Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions | A new scalable enantioselective approach to functionalized oxygenated steroids is described. This strategy is based on chiral bis(oxazoline) copper(II) complex-catalyzed enantioselective and diastereoselective Michael reactions of cyclic ketoesters and enones to install vicinal quaternary and tertiary stereocenters. In... | concise_enantioselective_synthesis_of_oxygenated_steroids_via_sequential_copper(ii)-catalyzed_michae | 2,955 | 142 | 20.809859 | INTRODUCTION<!>Initial studies on Michael reaction<!>Developing asymmetric variant of Michael reaction<!>Double aldol cyclization studies<!>The origins of diastereodivergence in double aldol cyclization<!>Application to the synthesis of natural and unnatural cardenolides<!>SUMMARY AND CONCLUSIONS | <p>Steroids play an important role in drug discovery, medicinal chemistry, and chemical biology. These compounds are responsible for the regulation of vital biological functions in animals and plants, and, not surprisingly, the steroidal scaffold is a privileged motif that is present in many FDA-approved drugs.1 Develo... | PubMed Author Manuscript |
Efficient Luminescence Control in a Dithienylethene Functionalized Cyclen Macrocyclic Complex | We report the synthesis of an original ligand scaffold based on a dimethyl-cyclen platform Medo2pa with two dithienylethene units attached to each picolinate arms and the corresponding yttrium(III), europium(III) and ytterbium(III) complexes. All three complexes show reversible photochromism with high photo-conversions... | efficient_luminescence_control_in_a_dithienylethene_functionalized_cyclen_macrocyclic_complex | 3,174 | 94 | 33.765957 | Introduction<!>Results and Discussion<!>Electronic absorption spectra and photochromism of 3oo and [MLoo]Cl complexes.<!>Conclusion. | <p>Responsive materials in which a key property can be modulated by an external stimulus in a controlled way are a great achievement in the field of molecular materials. [1][2] Among them "alloptical" systems, that are triggered by light to change their optical (absorption, emission) properties, combine fast response, ... | ChemRxiv |
Insights into the role of noncovalent interactions in distal functionalization of the aryl C(sp<sup>2</sup>)–H bond | Burgeoning interest in distal functionalization of aryl C-H bonds led to the development of iridiumcatalyzed borylation reactions. The significance and inadequate mechanistic understanding of C(sp 2 )-H borylations motivated us to investigate the key catalytic steps and the origin of a directing-group-free regiocontrol... | insights_into_the_role_of_noncovalent_interactions_in_distal_functionalization_of_the_aryl_c(sp<sup> | 4,295 | 240 | 17.895833 | Introduction<!>Computational methods<!>Results and discussion<!>Important details of the catalytic cycle<!>Factors controlling regioselectivity<!>Rational modications to change the pattern of NCIs<!>Conclusion<!>Conflicts of interest | <p>Selective activation of thermodynamically strong and kinetically inert C-H bonds has garnered the attention of chemists for decades. Among the several activation strategies available, functionalization via C-H bond activation using a borylation reaction is a promising one due to the wider utility of the borylated pr... | Royal Society of Chemistry (RSC) |
Reinterpreting π π π-Stacking | The nature of π-π interactions has long been debated. The term "π-stacking" is considered by some to be a misnomer, in part because overlapping π-electron densities are thought to incur steric repulsion, and the physical origins of the widely-encountered "slip-stacked" motif have variously been attributed to either ste... | reinterpreting_π_π_π-stacking | 9,239 | 310 | 29.803226 | Introduction<!>Computational Details<!>Results and Discussion<!>Size-Dependent Trends<!>Benzene on Graphene<!>Size-Intensive Energy Decomposition<!>Role of HOMO/LUMO Gaps<!>Role of Collective Density Oscillations<!>Figures 6a and 6b<!>Reduced Density Isosurfaces<!>Energy Landscapes for Stacked Polycyclic Hydrocarbons<!... | <p>Is there a special type of dispersion associated with π-π interactions? Some studies suggest that there is, citing the relationship between the π-stacking distance in aromatic π-π systems and the strength of the dispersion interaction. 1 Others point out that aromaticity is not a necessary condition for obtaining au... | ChemRxiv |
AUTOMATED FITTING OF TRANSITION STATE FORCE FIELDS FOR BIOMOLECULAR SIMULATIONS | The generation potential energy functions (PEF) that are orders of magnitude faster to compute but as accurate as the underlying training data from high-level electronic structure methods is one of the most promising applications of machine learning (ML) in chemistry. In contrast to such studies in materials and small ... | automated_fitting_of_transition_state_force_fields_for_biomolecular_simulations | 3,602 | 161 | 22.372671 | Introduction<!>Fitting Methods<!>Application to PmHMGR<!>Conclusions | <p>Understanding how enzymes achieve their catalytic function is one of the grand challenges of chemistry and biology. Studying enzymes using computational methods has produced highly impactful work, as highlighted by the award of the Nobel Prize in 2014 1 for the development of multiscale methods such as the Quantum M... | ChemRxiv |
Fabrication, Investigation, and Application of Light-Responsive Self-Assembled Nanoparticles | Light-responsive materials have attracted increasing interest in recent years on account of their adjustable on-off properties upon specific light. In consideration of reversible isomerization transition for azobenzene (AZO), it was designed as a light-responsive domain for nanoparticles in this research. At the same t... | fabrication,_investigation,_and_application_of_light-responsive_self-assembled_nanoparticles | 4,652 | 241 | 19.302905 | Introduction<!>Materials<!>Synthesis of HANN Copolymer and PCDs<!>Self-Assemble of Light Response Nanoparticle<!>Photo Response and pH Dependent Properties of Nanoparticle<!>Simulation and Computational Details<!>In vitro Evaluation for Nanocarrier<!>Statistical Analysis<!>Self-Assemble of Light Response Nanoparticle<!... | <p>As a fundamental backbone, materials play an irreplaceable role in the development of science and technology in all fields, especially in fast-growing current functional and intelligent research fields. Stimuli-responsive materials have attracted great interest due to their adjustable properties in response to exter... | PubMed Open Access |
JNK2 Is Required for the Tumorigenic Properties of Melanoma Cells | Overexpression and activation of c-Jun N-terminal kinases (JNKs) have been observed in multiple cancer cell lines and tumor samples. Various JNK isoforms have been reported to promote lung and liver cancer, as well as keratinocyte transformation, suggesting an important role of JNK signaling in promoting tumor developm... | jnk2_is_required_for_the_tumorigenic_properties_of_melanoma_cells | 3,536 | 309 | 11.443366 | <!>JNK2 Is Significantly More Highly Expressed Than JNK1 in Melanoma.<!>JNK2 Activity, but Not JNK1 Activity, Is Required for Cell Proliferation in Melanoma Cells.<!>JNK2 Activity, but Not JNK1 Activity, Is Required for Invasion in Melanoma Cells.<!>Activation of JNK2 Significantly Promotes Tumori-genesis in a Xenograf... | <p>c-Jun N-terminal kinases (JNKs) collectively form one of the canonical mitogen-activated protein kinase (MAPK) families and are activated by stress, growth factors, and cytokines. In humans, JNK1, JNK2, and JNK3 are encoded by three separate genes, MAPK8–10, respectively, and are spliced alternatively to yield 10 is... | PubMed Author Manuscript |
Efficient solid-state photoswitching of methoxyazobenzene in a metal–organic framework for thermal energy storage | Efficient photoswitching in the solid-state remains rare, yet is highly desirable for the design of functional solid materials. In particular, for molecular solar thermal energy storage materials high conversion to the metastable isomer is crucial to achieve high energy density. Herein, we report that 4methoxyazobenzen... | efficient_solid-state_photoswitching_of_methoxyazobenzene_in_a_metal–organic_framework_for_thermal_e | 2,412 | 135 | 17.866667 | Introduction<!>Results and discussion<!>Conclusions | <p>Molecular photoswitches are currently receiving signicant interest for molecular solar thermal (MOST) energy storage applications. MOST materials convert photon energy to thermal energy through reversible isomerization between ground and metastable isomeric states. [1][2][3] While many classes of photoswitch have b... | Royal Society of Chemistry (RSC) |
Oxidation of a wood extractive betulin to biologically active oxo-derivatives using supported gold catalysts | Betulin (90-94%) was extracted from birch with a non-polar solvent and recrystallized from 2-propanol.Liquid-phase oxidation of betulin aimed at obtaining its biologically active oxo-derivatives (betulone, betulonic and betulinic aldehydes), exhibiting e.g. antitumor, anti-inflammatory, antiparasitic, anticancer and an... | oxidation_of_a_wood_extractive_betulin_to_biologically_active_oxo-derivatives_using_supported_gold_c | 7,567 | 255 | 29.67451 | Introduction<!>Results and discussion<!>Conclusions<!>Experimental<!>Catalyst characterization<!>Catalytic testing<!>Conflicts of interest | <p>Utilisation of natural compounds for chemical transformations to obtain biologically active compounds has become one of the promising and actively developing areas of fine organic synthesis and pharmaceutical chemistry. Triterpenoids are a class of compounds that combine accessibility, i.e., availability in nature a... | Royal Society of Chemistry (RSC) |
Structural Basis for Different Specificities of Acyltransferases Associated with the Human Cytosolic and Mitochondrial Fatty Acid Synthases | SUMMARY Animals employ two systems for the de novo biosynthesis of fatty acids: a megasynthase complex in the cytosol (type I) that produces mainly palmitate, and an ensemble of freestanding enzymes in the mitochondria (type II) that produces mainly octanoyl moieties. The acyltransferases responsible for initiation of ... | structural_basis_for_different_specificities_of_acyltransferases_associated_with_the_human_cytosolic | 5,425 | 135 | 40.185185 | INTRODUCTION<!>Overall Structure of MT and MAT<!>The MAT Linker Regions<!>Active Sites<!>Substrate Docking Simulations<!>DISCUSSION<!>SIGNIFICANCE<!>Cloning, expression, mutagenesis and purification of mitochondrial MT and FAS-MAT<!>Measurement of Human Mitochondrial MT Activity<!>MAT and MT Structure Determination<!>S... | <p>The de novo biosynthesis of fatty acids is accomplished employing an ensemble of iteratively-acting enzymes that elongate an acetyl precursor by the sequential addition of two-carbon units derived from malonyl moieties. The constituent enzymes are found in two distinct architectural forms. In prokaryotes and plant c... | PubMed Author Manuscript |
Potential Agents for Treating Cystic Fibrosis: Cyclic Tetrapeptides that Restore Trafficking and Activity of \xce\x94F508-CFTR | Cystic fibrosis (CF) is a loss-of-function disease caused by mutations in the CF transmembrane conductance regulator (CFTR) protein, a chloride ion channel that localizes to the apical plasma membrane of epithelial cells. The most common form of the disease results from the deletion of phenylalanine-508 (\xce\x94F508),... | potential_agents_for_treating_cystic_fibrosis:_cyclic_tetrapeptides_that_restore_trafficking_and_act | 1,706 | 184 | 9.271739 | <p>Cystic fibrosis (CF)1 is a hereditary loss-of-function disease that affects various tissues of the respiratory and gastrointestinal systems, resulting in progressive disability and early death.1 The disease is caused by defective trafficking and/or function of the CF transmembrane conductance regulator (CFTR) protei... | PubMed Author Manuscript | |
Offline Pentafluorophenyl (PFP)-RP prefractionation as an alternative to high-pH RP for comprehensive LC-MS/MS proteomics and phosphoproteomics | Technological advances in liquid chromatography and tandem mass spectrometry (LC-MS/MS) have enabled comprehensive analyses of proteins and their post translational modifications from cell culture and tissue samples. However, sample complexity necessitates offline prefractionation via a chromatographic method that is o... | offline_pentafluorophenyl_(pfp)-rp_prefractionation_as_an_alternative_to_high-ph_rp_for_comprehensiv | 4,410 | 235 | 18.765957 | Introduction<!>Reagents<!>Cell culture<!>Peptide preparation and TMT labeling<!>Phosphopeptide preparation and enrichment<!>Hi-pH RP HPLC fractionation and desalting (pH 8)<!>Hi-pH RP HPLC fractionation and desalting (pH 10)<!>PFP HPLC fractionation<!>LC-MS/MS analysis<!>Peptide spectral matching and bioinformatics<!>A... | <p>Biological research has benefited from advances made in the fields of proteomics and phosphoproteomics. "Shotgun/bottom-up" liquid chromatography and tandem mass spectrometry (LC-MS/MS) has become the principal means through which proteins and their post translational modifications are analyzed in complex cell cultu... | PubMed Author Manuscript |
Dimerization of sortilin regulates its trafficking to extracellular vesicles | Extracellular vesicles (EVs) play a critical role in intercellular communication by transferring microRNAs, lipids, and proteins to neighboring cells. Sortilin, a sorting receptor that directs target proteins to the secretory or endocytic compartments of cells, is found in both EVs and cells. In many human diseases, in... | dimerization_of_sortilin_regulates_its_trafficking_to_extracellular_vesicles | 5,452 | 246 | 22.162602 | Introduction<!>Sortilin forms homodimers on the cell surface<!><!>Sortilin forms homodimers in the extracellular and intracellular domains with intermolecular disulfide bonds<!><!>The transmembrane domain of sortilin forms homodimers via noncovalent interactions<!><!>Substituting the transmembrane domain of sortilin wi... | <p>Intercellular communication, an essential hallmark of multicellular organisms, can be mediated through direct cell–cell contact or the transfer of secreted molecules (1). In the last two decades, a new mechanism for intercellular communication has emerged that involves intercellular transfer of extracellular vesicle... | PubMed Open Access |
Palladium-catalyzed <i>ortho</i>-halogenations of acetanilides with <i>N</i>-halosuccinimides via direct sp<sup>2</sup> C–H bond activation in ball mills | A solvent-free palladium-catalyzed ortho-iodination of acetanilides using N-iodosuccinimide as the iodine source has been developed under ball-milling conditions. This present method avoids the use of hazardous organic solvents, high reaction temperature, and long reaction time and provides a highly efficient methodolo... | palladium-catalyzed_<i>ortho</i>-halogenations_of_acetanilides_with_<i>n</i>-halosuccinimides_via_di | 1,169 | 80 | 14.6125 | Introduction<!>Results and Discussion<!>Scheme 1:<!>Conclusion | <p>Aryl halides have been widely utilized in organic syntheses, which give access to a range of complex natural products [1,2]. However, traditional halogenations of aromatic compounds by direct electrophilic halogenation [3] and Sandmeyer reaction [4] have several drawbacks such as low regioselectivities, complicated ... | Beilstein |
A combinatorial method to visualize the neuronal network in the mouse spinal cord: combination of a modified Golgi-Cox method and synchrotron radiation micro-computed tomography | Exploring the three-dimensional (3D) morphology of neurons is essential to understanding spinal cord function and associated diseases comprehensively. However, 3D imaging of the neuronal network in the broad region of the spinal cord at cellular resolution remains a challenge in the field of neuroscience. In this study... | a_combinatorial_method_to_visualize_the_neuronal_network_in_the_mouse_spinal_cord:_combination_of_a_ | 3,679 | 248 | 14.834677 | Introduction<!>Experimental animals and ethics statement<!>Comparison of fresh spinal cord tissue<!>The GCM group<!>The M-GCM group<!>Tissue processing and microscopic examination<!>Comparison of the photomicrograph<!>X-ray radiation damage analysis<!><!>Comparison of the projection image<!>3D image reconstruction and ... | <p>The spinal cord, which transmits descending and ascending neural signals, is an essential component of the central nervous system. Neurons, as the main functional units of the spinal cord, are responsible for receiving and transmitting signals (Lovinger 2008). Hence, exploring the morphology of neuronal networks is ... | PubMed Open Access |
Oriented Single-Crystal Nuclear Resonance Vibrational Spectroscopy of [Fe(TPP)(MI)(NO)]: Quantitative Assessment of the trans Effect of NO | This paper presents oriented single-crystal Nuclear Resonance Vibrational Spectroscopy (NRVS) data for the six-coordinate (6C) ferrous heme-nitrosyl model complex [57Fe(TPP)(MI)(NO)] (1; TPP2\xe2\x88\x92 = tetraphenylporphyrin dianion; MI = 1-methylimidazole). The availability of these data enables for the first time t... | oriented_single-crystal_nuclear_resonance_vibrational_spectroscopy_of_[fe(tpp)(mi)(no)]:_quantitativ | 12,278 | 493 | 24.904665 | Introduction<!>Experimental and Computational Procedures<!>Nuclear Resonance Vibrational Spectroscopy (NRVS)<!>Density Functional Theory (DFT) Calculations and Quantum Chemistry Centered Normal Coordinate Analysis (QCC-NCA)<!>Introduction to NRVS<!>NRVS data of [57Fe(TPP)(MI)(NO)]<!>Effects of low symmetry<!>Calculated... | <p>Nitric oxide (NO), a poisonous and corrosive diatomic, plays a crucial role in mammals both as a signaling molecule and as a means of immune defense against pathogens.1 For the purpose of signaling, NO is produced by endothelial (e−) or neuronal (n−) nitric oxide synthase (NOS), which are enzymes of the cytochrome P... | PubMed Author Manuscript |
Resolving Sphingolipid Isomers Using Cryogenic Infrared Spectroscopy | Abstract1‐Deoxysphingolipids are a recently described class of sphingolipids that have been shown to be associated with several disease states including diabetic and hereditary neuropathy. The identification and characterization of 1‐deoxysphingolipids and their metabolites is therefore highly important. However, exact... | resolving_sphingolipid_isomers_using_cryogenic_infrared_spectroscopy | 2,137 | 142 | 15.049296 | <!>Conflict of interest<!> | <p>C. Kirschbaum, E. M. Saied, K. Greis, E. Mucha, S. Gewinner, W. Schöllkopf, G. Meijer, G. von Helden, B. L. J. Poad, S. J. Blanksby, C. Arenz, K. Pagel, Angew. Chem. Int. Ed.
2020, 59, 13638.</p><p>Sphingolipids are ubiquitous in all living organisms ranging from bacteria to humans.1 They are major components of cel... | PubMed Open Access |
The Enantioselective Construction of Tetracyclic Diterpene Skeletons with Friedel-Crafts Alkylation and Palladium-catalyzed Cycloalkenylation Reactions | Due to the profound extent to which natural products inspire medicinal chemists in drug discovery, there is demand for innovative syntheses of these often complex materials. This article describes the synthesis of tricarbocyclic natural product architectures through an extension of the enantioselective Birch-Cope seque... | the_enantioselective_construction_of_tetracyclic_diterpene_skeletons_with_friedel-crafts_alkylation_ | 14,873 | 98 | 151.765306 | Introduction<!>Construction of the Diaryl Starting Materials<!>Birch-Cope sequence<!>Intramolecular Friedel-Crafts alkylation<!>Palladium-catalyzed cycloalkenylation<!>Conclusion<!>General Procedures<!>Method A<!>Method B<!>Diarylmethylene 2a, Method A<!>Diarylmethylene 2b, Method A<!>Diarylmethylene 2c, Method A<!>Dia... | <p>Natural product structures continue to inspire synthetic chemists and drug developers alike with their complex molecular architecture that frequently exceeds human imagination. More importantly, these fascinating structures often possess useful and unique biological activities that inspire new therapeutic approaches... | PubMed Author Manuscript |
Characterization of Glycosaminoglycan Disaccharide Composition in Astrocyte Primary Cultures and the Cortex of Neonatal Rats | Astrocytes are major producers of the extracellular matrix (ECM), which is involved in the plasticity of the developing brain. In utero alcohol exposure alters neuronal plasticity. Glycosaminoglycans (GAGs) are a family of polysaccharides present in the extracellular space; chondroitin sulfate (CS)- and heparan sulfate... | characterization_of_glycosaminoglycan_disaccharide_composition_in_astrocyte_primary_cultures_and_the | 5,850 | 246 | 23.780488 | Introduction<!>Animals<!>Female Astrocyte Cultures<!>In vitro Ethanol Exposure<!>GAG Disaccharide Analysis by Liquid Chromatography/Mass Spectrometry (LCMS)<!>Quantification of GAG Disaccharide Concentrations<!>Quantitative PCR<!>Enzyme-Linked Immunosorbent Assay (ELISA)<!>Western Blot Analysis<!>Isolation of Astrocyte... | <p>Neurons, astrocytes, and other brain cells are present in the brain parenchyma in close proximity, separated by the extracellular space, comprised of a highly organized extracellular matrix (ECM) [1]. The extracellular space accounts for approximately 20% of the total volume of the mature rat brain and approximately... | PubMed Author Manuscript |
Ferritin-like family proteins in the anaerobe Bacteroides fragilis: when an oxygen storm is coming, take your iron to the shelter | Bacteroides are gram-negative anaerobes and one of the most abundant members the lower GI tract microflora where they play an important role in normal intestinal physiology. Disruption of this commensal relationship has a great impact on human health and disease. Bacteroides spp. are significant opportunistic pathogens... | ferritin-like_family_proteins_in_the_anaerobe_bacteroides_fragilis:_when_an_oxygen_storm_is_coming,_ | 3,782 | 265 | 14.271698 | Introduction<!>Oxidative stress response overview<!>Ferritin (FtnA)<!>Dps-Like thioferritin<!>Dps<!>Perspectives and future directions | <p>The human colon is the most densely populated organ with commensal microbes. The low level of oxygen and low redox potential creates an optimal anaerobic environment where obligate anaerobes are the prevalent microorganisms. Among these anaerobes, Bacteroides species are predominant members of the human gut normal m... | PubMed Author Manuscript |
Chemical reaction within a compact non-porous crystal containing molecular clusters without the loss of crystallinity | The very rare occurrence of a gas-solid chemical reaction has been found to take place on a molecule within a compact non-porous crystal without destroying its long-range structural order and retaining similar crystal structures when yellow crystals of Fe II 4 (mbm) 4 Cl 4 (MeOH) 4 were exposed to air to give black [Fe... | chemical_reaction_within_a_compact_non-porous_crystal_containing_molecular_clusters_without_the_loss | 2,839 | 101 | 28.108911 | Introduction<!>Results and discussion<!>Conclusions<!>Experimental | <p>One of the requirements for a chemical reaction to take place is that the reactants should be within close proximity for electronic interactions to promote bond breaking and bond formation. 1 Thus, the reactants have high probability of getting close together when they are in liquid or gas states. Reactions in the s... | Royal Society of Chemistry (RSC) |
A Specific Mechanism for Non-Specific Activation in Reporter-Gene Assays | The importance of bioluminescence in enabling a broad range of high-throughput screening (HTS) assay formats is evidenced by widespread use in industry and academia. Therefore, understanding the mechanisms by which reporter enzyme activity can be modulated by small molecules is critical to the interpretation of HTS dat... | a_specific_mechanism_for_non-specific_activation_in_reporter-gene_assays | 3,282 | 154 | 21.311688 | <!>Construction of the luciferase sub-chemome<!>Compound Preparations<!>Inhibition of purified luciferase<!>Inhibition of luciferase degradation in HEK293 cells constitutively expressing luciferase<!>Data analysis | <p>As high-throughput screening gains momentum in academia and public databases grow in size and scope, refining our understanding of target specific and non-specific effects within HTS assays will facilitate a more accurate interpretation of screening results. Cell-based reporter-gene assays are designed to measure th... | PubMed Author Manuscript |
Design, Synthesis, and Evaluation of Inhibitors of Norwalk Virus 3C Protease | The first series of peptidyl aldehyde inhibitors that incorporate in their structure a glutamine surrogate has been designed and synthesized based on the known substrate specificity of Norwalk virus 3C protease. The inhibitory activity of the compounds with the protease and with a norovirus cell-based replicon system w... | design,_synthesis,_and_evaluation_of_inhibitors_of_norwalk_virus_3c_protease | 951 | 67 | 14.19403 | <p>Noroviruses are a leading cause of food-borne and water-borne non-bacterial acute gastroenteritis.1 Norovirus infections constitute an important health problem with an estimated 23 million cases of gastroenteritis occurring annually in the U.S., causing 50,000 hospitalizations and 300 deaths.2 There are currently no... | PubMed Author Manuscript | |
Dual inhibition of EGFR and IL-6-STAT3 signalling by miR-146b: a potential targeted therapy for epithelial ovarian cancer | AbstractEpidermal growth factor receptor (EGFR) signalling and the interleukin-6 (IL-6)/signal transducer and activator of transcription 3 (STAT3) are aberrantly activated in ovarian cancer. However, inhibition of EGFR signalling in ovarian cancer patients resulted in a disappointing clinical benefit. In this study, we... | dual_inhibition_of_egfr_and_il-6-stat3_signalling_by_mir-146b:_a_potential_targeted_therapy_for_epit | 3,756 | 151 | 24.874172 | Introduction<!>Human tissue specimens<!>Cell culture<!>RNA isolation and real-time PCR<!>Reagents and antibodies<!>IL-6 concentration detection<!>Western blotting<!>Cell migration and invasion assays<!>Statistics<!>EGFR and IL-6-STAT3 signalling predicts a poor prognosis in ovarian cancer<!><!>Expression of EGFR and IL... | <p>Ovarian cancer (OC) is the second most common gynaecologic cancer and the most lethal gynaecological cancer worldwide. There are approximately 225,500 new cases and an estimated 140,200 ovarian cancer-related deaths each year1. Most ovarian tumours are epithelial ovarian carcinomas (EOCs), and approximately 70% of E... | PubMed Open Access |
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides | Many renewable energy technologies, such as hydrogen gas synthesis and carbon dioxide reduction, rely on chemical reactions involving hydride anions (H − ). When selecting molecules to be used in such applications, an important quantity to consider is the thermodynamic hydricity, which is the free energy required for a... | benchmarking_density_functionals,_basis_sets,_and_solvent_models_in_predicting_thermodynamic_hydrici | 2,644 | 154 | 17.168831 | Introduction<!>Methods<!>Conclusions<!>Acknowledgements | <p>The hydricity of a molecule is given by</p><p>meaning it measures the free energy difference before and after a hydride transfer reaction. Hydride transfer reactions play a crucial role in various renewable energy technologies, such as the electrochemical reduction of CO 2 into carbon-based fuels [1,2,3,4,5,6] or H ... | ChemRxiv |
Conserved Histidine Adjacent to the Proximal Cluster Tunes the Anaerobic Reductive Activation of Escherichia coli Membrane‐Bound [NiFe] Hydrogenase‐1 | Abstract[NiFe] hydrogenases are electrocatalysts that oxidize H2 at a rapid rate without the need for precious metals. All membrane‐bound [NiFe] hydrogenases (MBH) possess a histidine residue that points to the electron‐transfer iron sulfur cluster closest (“proximal”) to the [NiFe] H2‐binding active site. Replacement ... | conserved_histidine_adjacent_to_the_proximal_cluster_tunes_the_anaerobic_reductive_activation_of_esc | 3,650 | 133 | 27.443609 | <!>Conflict of interest<!> | <p>L. A. Flanagan, H. S. Chidwick, J. Walton, J. W. B. Moir, A. Parkin, ChemElectroChem
2018, 5, 855.</p><p>Membrane‐bound [NiFe] hydrogenases (MBH) are a family of enzymes which are found in the periplasm of bacteria where they catalyze H2 oxidation (H2
→
2H++2e−).1 These H2‐enzymes are particularly amenable to study ... | PubMed Open Access |
Carbon-fiber microelectrode amperometry reveals sickle cell-induced inflammation and chronic morphine effects on single mast cells | Sickle cell disease, caused by a mutation of hemoglobin, is characterized by a complex pathophysiology including an important inflammatory component. Mast cells are tissue-resident leukocytes known to influence a range of immune functions in a variety of different ways, largely through the secretion of biologically act... | carbon-fiber_microelectrode_amperometry_reveals_sickle_cell-induced_inflammation_and_chronic_morphin | 4,412 | 245 | 18.008163 | <!>RESULTS AND DISCUSSION<!>In vivo morphine treatment<!>Cell culture<!>Microelectrode fabrication<!>CFMA measurements<!>Data analysis and statistics | <p>Sickle cell disease (SCD) became the first recognized 'molecular disease' when Linus Pauling discovered the altered electrophoretic mobility of hemoglobin (Hb) in the blood of patients suffering from this painful and often life-threatening disorder.(1) Several years later, the genetic basis for the dysfunctional Hb ... | PubMed Author Manuscript |
Radical–anion coupling through reagent design: hydroxylation of aryl halides | The design and development of an oxime-based hydroxylation reagent, which can chemoselectively convert aryl halides (X ¼ F, Cl, Br, I) into phenols under operationally simple, transition-metal-free conditions is described. Key to the success of this approach was the identification of a reducing oxime anion which can in... | radical–anion_coupling_through_reagent_design:_hydroxylation_of_aryl_halides | 2,011 | 65 | 30.938462 | Introduction<!>Results and discussion<!>Conclusions | <p>Arene hydroxylation reactions are powerful enabling synthetic methods which are routinely used in the preparation of highvalue pharmaceuticals, agrochemicals, polymers and natural products. 1 Many different synthetic approaches have been developed to form aryl C(sp 2 )-OH bonds, 2 but in terms of cost, operational s... | Royal Society of Chemistry (RSC) |
Controlled synthesis of SPION@SiO 2 nanoparticles using design of experiments | The synthesis of single-core superparamagnetic iron oxide nanoparticles (SPIONs) coated with a silica shell of controlled thickness remains a challenge, due to the dependence on a multitude of experimental variables. Herein, we utilise design of experiment (DoE) to study the formation of SPION@SiO 2 nanoparticles (NPs)... | controlled_synthesis_of_spion@sio_2_nanoparticles_using_design_of_experiments | 6,527 | 221 | 29.533937 | Introduction<!>Chemicals<!>SPION NPs<!>SPION@SiO 2 NPs<!>Characterisation<!>Experimental Design<!>Synthesis of SPION NPs<!>Experimental Design of Synthesis of SPION@SiO 2 NPs<!>3.3<!>Shell thickness of SPION@SiO 2 nanoparticles<!>Parameter<!>Monodispersity of SPION@SiO 2 nanoparticles<!>Population of SPION@SiO 2 nanopa... | <p>Superparamagnetic iron oxide nanoparticles (SPIONs) have been extensively researched due to their unique magnetic properties when compared to bulk iron oxide including: superparamagnetic behaviour with a large magnetic susceptibility; low Curie temperature; and high coercivity. 1,2 SPIONs are inverse spinel type iro... | ChemRxiv |
Compatible Ferroelectricity, Antiferroelectricity and Broadband Emission for a multi-functional 2D Organic-Inorganic Hybrid Perovskite | Two-dimensional (2D) organic-inorganic hybrid perovskites with multifunctional characteristics have potential applications in many fields, such as, solar cells, microlasers and light-emitting diodes (LEDs), etc. Here, a 2D organic-inorganic lead halide perovskite, [Br(CH2)3NH3]2PbBr4 (BPA-PbBr4, BPA = Br(CH2)3NH3, 3-Br... | compatible_ferroelectricity,_antiferroelectricity_and_broadband_emission_for_a_multi-functional_2d_o | 3,011 | 214 | 14.070093 | ■ INTRODUCTION<!>■ RESULTS AND DISCUSSION<!>■ CONCLUSION | <p>Electroactive substances, as an indispensable basic component of advanced electronic devices, have the ability of energy stroage and conversion. [1][2] Ferroelectrics are one of the important electroactive substances, which can realize spontaneous polarization (Ps) storage and switching. 3 The appearance of ferroele... | ChemRxiv |
Propargylation of CoQ0
through the Redox Chain Reaction | An efficient catalytic propargylation of CoQ0 is described by employing the cooperative effect of Sc(OTf)3 and Hantzsch ester. It is suggested to work through the redox chain reaction, which involves hydroquinone and dimeric propargylic moiety intermediates. A broad range of propargylic alcohols can be converted into t... | propargylation_of_coq0_through_the_redox_chain_reaction | 6,318 | 68 | 92.911765 | Introduction<!>Results and Discussion<!><!>Results and Discussion<!>Direct Propargylation of CoQ0 by Various Propargyl Derivatives<!>Results and Discussion<!>Direct Propargylation
of CoQ0 by Various Propargyl Derivatives<!>Results and Discussion<!>Control Experiments
for the Propargylation of CoQ0<!>Results and Discuss... | <p>Quinones are an important
class of compounds for most living organisms
because they participate in the cellular aerobic respiration process
(e.g., ubiquinone);1 serve
as electron acceptors in electron transport chains in photosynthesis
(e.g., plastoquinone and phylloquinone); participate in the blood coagulation pro... | PubMed Open Access |
Low-Amplitude Ultrasound Enhances Hydrodynamic-Based Gene Delivery to Rat Kidney | The synergistic combination of hydrodynamics-based gene delivery and ultrasound was investigated to achieve improved gene transfer to the kidney. Plasmids encoding firefly luciferase and Erythropoietin (EPO) gene were delivered into the left kidney of rats by single or combinative application of renal vein hydrodynamic... | low-amplitude_ultrasound_enhances_hydrodynamic-based_gene_delivery_to_rat_kidney | 3,243 | 150 | 21.62 | Introduction<!>Animals<!>DNA plasmid preparation<!>Hydrodynamic injection of the plasmid DNA<!>Ultrasound treatment<!>Bioluminescent evaluation<!>EPO ELISA<!>Ex vivo luciferase and luciferase activity assay<!>Renal function evaluation<!>Immunohistochemistry staining and histology<!>Statistical analysis<!>Effect of ultr... | <p>Gene therapy holds significant promise for the treatment of a variety of renal diseases [1]. To produce a therapeutic effect in the kidney without systemic adverse effects to other tissues, an efficient and targeted gene delivery method to the kidney is needed. Non-viral vectors based on the delivery of plasmid DNA ... | PubMed Author Manuscript |
Selectable Surface and Bulk Fluorescence Imaging with Plasmon-Coupled Waveguides | In this letter, we propose a new method for selective imaging of surface bound probes or simultaneous imaging of surface bound plus fluorescence from dye molecules in bulk water solution. The principle of this method relies on use of two optical modes with different mode distributions, filed decay lengths and polarizat... | selectable_surface_and_bulk_fluorescence_imaging_with_plasmon-coupled_waveguides | 3,352 | 177 | 18.937853 | Introduction<!>Experimental Methods<!>Results and Discussion<!>Conclusion | <p>Fluorescence detection is an important tool in biosciences. Clinical diagnostics and DNA analysis, a few to note, frequently use fluorescence assays of surface-bound capture molecule, such as antibodies or DNA oligomers and target molecules. 1-4 Fluorescence detection and imaging depends on the location of the excit... | PubMed Author Manuscript |
An environmentally benign and selective electrochemical oxidation of sulfides and thiols in a continuous-flow microreactor | A practical and environmentally benign electrochemical oxidation of thioethers and thiols in a commercially-available continuous-flow microreactor is presented. Water is used as the source of oxygen to enable the oxidation process. The oxidation reaction utilizes the same reagents in all scenarios and the selectivity i... | an_environmentally_benign_and_selective_electrochemical_oxidation_of_sulfides_and_thiols_in_a_contin | 1,736 | 112 | 15.5 | Introduction<!>Results and discussion<!>Conclusion | <p>Sulfoxide and sulfone moieties are widespread in a broad variety of functional organic molecules. 1 These moieties have been incorporated in numerous pharmaceutical compounds (e.g. Esomeprazole, Dapsone, Sulmazole, Methionine sulfone and Ponazuril) 2 and even in polymeric materials 3 (Fig. 1). Moreover, chiral sulfo... | Royal Society of Chemistry (RSC) |
Ondansetron and Granisetron Binding Orientation in the 5-HT3 Receptor Determined by Unnatural Amino Acid Mutagenesis | The serotonin type 3 receptor (5-HT3R) is a ligand-gated ion channel that mediates fast synaptic transmission in the central and peripheral nervous systems. The 5-HT3R is a therapeutic target, and the clinically available drugs ondansetron and granisetron inhibit receptor activity. Their inhibitory action is through co... | ondansetron_and_granisetron_binding_orientation_in_the_5-ht3_receptor_determined_by_unnatural_amino_ | 3,858 | 119 | 32.420168 | INTRODUCTION<!>Ondansetron and Granisetron Schild Analysis<!>Ondansetron and Granisetron at Trp183 and Trp90<!>Summary<!>METHODS<!>Protein expression in Xenopus oocytes<!>Electrophysiology<!>4,7-Difluoroindole (1)<!>Ethyl 3-(4,7-difluoro-1H-indol-3-yl)-2-(hydroxyimino)propanoate (2)<!>N-(2-nitroveratryloxycarbonyl)-4,7... | <p>The serotonin type 3 receptor (5-HT3R)1–2 is a ligand-gated ion channel in the Cys-loop (pentameric) family of receptors, which also includes GABAA, glycine, and nicotinic acetylcholine (nACh) receptors.3 The 5-HT3 receptor is a cation selective channel found in the central and peripheral nervous systems. Conduction... | PubMed Author Manuscript |
Refining comparative proteomics by spectral counting to account for shared peptides and multiple search engines | Spectral counting has become a widely used approach for measuring and comparing protein abundance in label-free shotgun proteomics. However, when analyzing complex samples, the ambiguity of matching between peptides and proteins greatly affects the assessment of peptide and protein inventories, differentiation, and qua... | refining_comparative_proteomics_by_spectral_counting_to_account_for_shared_peptides_and_multiple_sea | 5,361 | 171 | 31.350877 | Introduction<!>ABRF data<!>CPTAC data<!>HNSCC data<!>ASW480 data<!>Database search pipeline<!>Model for peptide group-based spectral count differentiation<!>Models for combining search engines<!>Peptide group-based spectral count differentiation improves protein differentiation<!>Combining multiple search engines impro... | <p>Shotgun proteomics based on tandem mass spectrometry has become a widespread method for analyzing complex biological mixtures. It begins by digesting protein mixtures and separating the resulting peptides by liquid chromatography. After peptide MS/MS spectra are acquired, they are matched to database peptide sequenc... | PubMed Author Manuscript |
Meta-Selective C\xe2\x80\x93H Arylation of Aromatic Alcohols with a Readily Attachable and Cleavable Molecular Scaffold | The first example of meta-selective C\xe2\x80\x93H arylations of arene alcohol-based substrates is described. The strategy involves the combination of the transient norbornene strategy with the quinoline-based acetal scaffold to achieve the formation of biaryl compounds. Both a two-step meta-arylation/scaffold cleavage... | meta-selective_c\xe2\x80\x93h_arylation_of_aromatic_alcohols_with_a_readily_attachable_and_cleavable | 1,155 | 83 | 13.915663 | <p>Transition metal catalyzed site-selective C–H functionalization has been a broad and highly impactful enterprise in the fields of synthetic chemistry and materials science.[1] A primary strategy to achieve site specificity is to employ substrates with directing capabilities that can position the catalytic complex to... | PubMed Author Manuscript | |
Dynamic Catalysis Fundamentals: I. Fast calculation of limit cycles in dynamic catalysis | Dynamic catalysis-the forced oscillation of catalytic reaction coordinate potential energy surfaces (PES)-has recently emerged as a promising method for the acceleration of heterogeneously-catalyzed reactions. Theoretical study of enhancement of rates and supraequilibrium product yield via dynamic catalysis has, to-dat... | dynamic_catalysis_fundamentals:_i._fast_calculation_of_limit_cycles_in_dynamic_catalysis | 7,330 | 249 | 29.437751 | Introduction<!>Methods<!>Finding analytical solutions for limit cycles in dynamic catalysis<!>A programmatic method for solving for dynamic catalysis limit cycles for linear reaction schemes<!>BE B<!>Finding limit cycle solutions for non-linear reaction systems<!>Conclusion | <p>Experimental (1-6) and theoretical (7)(8)(9)(10) reports have demonstrated that periodic input of thermodynamic work (e.g. by oscillation of applied electric potential) can effect orders-ofmagnitude improvement in catalytic turnover rates and overcome static equilibrium limits to chemical conversion akin to molecula... | ChemRxiv |
Quantitative analysis of volatiles in edible oils following accelerated oxidation using broad spectrum isotope standards | Analysis of food volatiles generated by processing are widely reported but comparisons across studies is challenging in part because most reports are inherently semi-quantitative for most analytes due to limited availability of chemical standards. We recently introduced a novel strategy for creation of broad spectrum i... | quantitative_analysis_of_volatiles_in_edible_oils_following_accelerated_oxidation_using_broad_spectr | 4,214 | 150 | 28.093333 | 1. INTRODUCTION<!>2.1. Chemicals and Oils<!>2.2. Oil FA Composition Analysis<!>2.3. Oil Oxidation<!>2.4. HS-SPME-GC/TOF-MS Volatile Analyses<!>2.5. Characterizing Provenance of n-3 Derived Volatiles using Deuterated Ethyl Linolenate<!>2.6. Statistical Analysis<!>3.1. FA Composition and Total Volatile Production from Co... | <p>Oxidative stability is the major challenge in the incorporation of omega-3 fatty acids (n-3 FA) into food products (Decker, Akoh, & Wilkes, 2012). These lipids contain numerous 1,4-cis-pentadiene systems that are prone to hydrogen abstraction and subsequent free-radical oxidation reactions. Thus, their presence sign... | PubMed Author Manuscript |
Aggregation-Induced Radical of Donor-Acceptor Organic Semiconductors | Narrow bandgap donor-acceptor organic semiconductors are generally considered to show closed-shell singlet ground state and their radicals are reported as impurities, polarons, charge transfer state monoradical or defects. Herein, we reported the open-shell singlet diradical electronic ground state of two diketopyrrolo... | aggregation-induced_radical_of_donor-acceptor_organic_semiconductors | 2,673 | 157 | 17.025478 | Introduction<!>Result and discussion<!>Materials | <p>In the recent more than 30 years, organic semiconductors (OSCs) exhibited great application potential in organic light-emitting diodes (OLEDs), 1,2 organic photovoltaics (OPVs), 3,4 organic field-effect transistors (OFETs), [5][6][7] organic photodetectors (OPDs) 4 and other organic electronic devices 8 . Most of th... | ChemRxiv |
Concise Total Synthesis of (+)-Asperazine A and (+)-Pestalazine B | The highly convergent total synthesis of dimeric diketopiperazine alkaloids (+)-asperazine A and (+)-pestalazine B is described. A critical aspect of our expedient route was the development of a directed regio- and diastereoselective C3\xe2\x80\x93N1\' coupling of complex tetracyclic diketopiperazine components. This l... | concise_total_synthesis_of_(+)-asperazine_a_and_(+)-pestalazine_b | 1,888 | 99 | 19.070707 | <!>Retrosynthetic Analysis<!>Synthetic Approach<!>Conclusions<!> | <p>Dimeric diketopiperazine alkaloids are a class of biologically active natural products that have been isolated from a wide range of sources.1 Their unique structures offer exciting opportunities to develop new chemical transformations. The introduction of the C3 linkage, which often unifies intricately decorated dik... | PubMed Author Manuscript |
Lighting the way: Recent insights into the structure and regulation of phototropin blue light receptors | The phototropins (phots) are light-activated kinases that are critical for plant physiology and the many diverse optogenetic tools that they have inspired. Phototropins combine two blue-light-sensing Light–Oxygen–Voltage (LOV) domains (LOV1 and LOV2) and a C-terminal serine/threonine kinase domain, using the LOV domain... | lighting_the_way:_recent_insights_into_the_structure_and_regulation_of_phototropin_blue_light_recept | 3,463 | 204 | 16.97549 | <!>LOV domain structure and activation<!>The LOV1+2 light sensing unit<!>Kinase structure and activation<!><!>Models of full-length phot structure and dimerization<!>Conclusions and remaining challenges<!>Conflict of interest | <p>Edited by Joseph Jez</p><p>The phototropin blue light receptors (phots) are unique proteins that have had an outsized impact in the radically different fields of plant physiology and protein engineering. In the former, they are key regulators of growth and photosynthetic competence in plants. Their structure, combin... | PubMed Open Access |
A Comprehensive Mathematical Model for Three-Body Binding Equilibria | Three-component systems are often more complex than their two-component counterparts. Although the reversible association of three components in solution is critical for a vast array of chemical and biological processes, no general physical picture of such systems has emerged. Here we have developed a general, comprehe... | a_comprehensive_mathematical_model_for_three-body_binding_equilibria | 3,912 | 143 | 27.356643 | <!>Non-cooperative Equilibria<!>Non-cooperative Experimental Systems<!>Cooperative Equilibria<!>Cooperative Experimental Systems<!> | <p>Since Langmuir's initial mathematical characterization of binary complex equilibria in the early 20th century,1 researchers have endeavored to describe the behavior of multi-component complexes mathematically. Three-body (ternary complex) equilibria (Figure 1A) are ubiquitous in nature and critical for diverse syste... | PubMed Author Manuscript |
Capture and release of tRNA by the T-loop receptor in the function of the T-box riboswitch | In Gram-positive bacteria, the tRNA-dependent T-box riboswitch system regulates expression of amino acid biosynthetic and aminoacyl-tRNA synthetase genes through a transcription attenuation mechanism. Binding of uncharged tRNA \xe2\x80\x9ccloses\xe2\x80\x9d the switch, allowing transcription read-through. Structure stu... | capture_and_release_of_trna_by_the_t-loop_receptor_in_the_function_of_the_t-box_riboswitch | 5,487 | 198 | 27.712121 | INTRODUCTION<!>Sample preparation<!>NMR spectroscopy<!>Isothermal titration calorimetry<!>Small angle X-ray scattering<!>Three-dimensional modeling of the T-box riboswitch<!>Solution topological structure of the T-box riboswitch core by SAXS<!>Locations of domains in the T-box riboswitch core<!>tRNA binding to the T-bo... | <p>tRNA-mediated transcription attenuation is the primary mechanism of regulation for genes encoding aminoacyl-tRNA (aa-tRNA) synthetases and amino acid biosynthetic enzymes in Gram-positive bacteria and is designated the T-box mechanism1, 2. This mechanism employs an intrinsic terminator that destabilizes RNA polymera... | PubMed Author Manuscript |
Expression of Hedgehog Proteins in the Human Thymus | SUMMARY The Hedgehog (Hh) family of secreted proteins includes intercellular signaling molecules that specify cell fate and patterning during the development of many tissues. In this study we show that the different components of the Hh signaling pathway are expressed in human thymus. The three mammalian Hh proteins, S... | expression_of_hedgehog_proteins_in_the_human_thymus | 4,303 | 200 | 21.515 | <!>Isolation of Human Thymocyte Subsets<!>Isolation of Human Epithelial Cells<!>Cell Lines<!>RT-PCR Analysis<!>Histology and Immunofluorescence<!>Flow Cytometry<!>Hh Proteins Shh, Ihh, and Dhh Are Produced in Human Thymus<!>Human Thymocytes and Thymic Epithelial Cells Express Hh Receptors<!>Hh-binding Molecules Are Exp... | <p>The thymus has a central role in the immune system, providing the optimal microenvironment required for the maturation of functional T-cells. The basic organization of the thymus consists of several lobes made up of a central medullary area surrounded by an outer cortex. T-cell progenitors arrive at the thymus via t... | PubMed Author Manuscript |
[3-N<sub>2</sub>-o-C<sub>2</sub>B<sub>10</sub>H<sub>11</sub>][BF<sub>4</sub>]: a useful synthon for multiple cage boron functionalizations of o-carborane | A simple and efficient method for selective cage B(3) multiple functionalization of o-carborane is described. Reaction of [3-N 2 -o-C 2 B 10 H 11 ][BF 4 ] with various kinds of nucleophiles gave a very broad spectrum of cage B(3)-substituted o-carborane derivatives, 3-X-o-C 2 B 10 H 11 (X ¼ OH, SCN, NH 2 , NO 2 , N 3 ,... | [3-n<sub>2</sub>-o-c<sub>2</sub>b<sub>10</sub>h<sub>11</sub>][bf<sub>4</sub>]:_a_useful_synthon_for_ | 1,668 | 92 | 18.130435 | Introduction<!>Results and discussion<!>Conclusions | <p>Carboranes, 3-dimensional relatives of benzenes, are a class of boron hydride clusters in which one or more BH vertices are replaced by CH units. 1 Carboranes and organic molecules display different electronic, physical, chemical and geometrical properties, which highlights the feasibility or necessity to produce hy... | Royal Society of Chemistry (RSC) |
Study of thioglycosylation in ionic liquids | A novel, green chemistry, glycosylation strategy was developed based upon the use of ionic liquids. Research studies demonstrated that thiomethyl glycosides could readily be activated with methyl trifluoromethane sulfonate, using 1-butyl-3-methylimidazolium tetrafluoroborate as a solvent. This green chemistry glycosyla... | study_of_thioglycosylation_in_ionic_liquids | 1,240 | 66 | 18.787879 | <!>Additional information<!> | <p>Owing to their unique chemical and physical properties, room temperature ionic liquids (ILs) have received significant attention as alternative solvents for a host of different applications. For example, it has been reported that ILs can be used in place of conventional organic solvents in synthesis, catalysis, elec... | PubMed Open Access |
Ring-A-seco analogs of \xce\xb1,25-dihydroxy-19-norvitamin D3 | The steroid hormone 1\xce\xb1,25-dihydroxyvitamin D3 [1\xce\xb1,25-(OH)2D3] is the most active metabolite of vitamin D3 which exerts its control over a multitude of biological processes related to calcium and phosphorus homeostasis, cell proliferation and differentiation, and immune regulation. Unfortunately, the thera... | ring-a-seco_analogs_of_\xce\xb1,25-dihydroxy-19-norvitamin_d3 | 1,381 | 158 | 8.740506 | 1. Introduction<!>2.1. Preparation of the A-seco-19-norvitamin D3 analogs 2\xe2\x80\x935<!>2.2.1. Measurement of binding to the rat recombinant vitamin D receptor<!>2.2.2. Measurement of cellular differentiation<!>2.2.3. Transcriptional assay<!>2.3. In vivo studies<!>3.1. Chemical synthesis of 2\xe2\x80\x935<!>3.2. Doc... | <p>The importance of multiple physiological processes [1] controlled by 1α,25-dihydroxyvitamin D3 [1α,25-(OH)2D3, calcitriol, 1; Fig. 1], the hormonally active metabolite of vitamin D3, has stimulated a very intensive research directed toward developing vitamin D therapeutics that preserve clinically useful activities ... | PubMed Author Manuscript |
A missense mutation converts the Na+,K+-ATPase into an ion channel and causes therapy-resistant epilepsy | The ion pump Na+,K+-ATPase is a critical determinant of neuronal excitability; however, its role in the etiology of diseases of the central nervous system (CNS) is largely unknown. We describe here the molecular phenotype of a Trp931Arg mutation of the Na+,K+-ATPase catalytic α1 subunit in an infant diagnosed with ther... | a_missense_mutation_converts_the_na+,k+-atpase_into_an_ion_channel_and_causes_therapy-resistant_epil | 5,066 | 202 | 25.079208 | <!>Identification of the W931R mutation<!><!>Effect of the W931R mutation on the resting membrane potential<!><!>Low plasma membrane expression of W931R α1<!><!>W931R α1 is inactive<!><!>A water pathway between the W931R mutation and the cytoplasm<!><!>Discussion<!>Human subjects<!>WGS<!>Sample preparation and imaging ... | <p>Edited by Mike Shipston</p><p>Epileptic encephalopathies are severe brain disorders that generally arise in infancy and cause developmental delay and sometimes early death. Seizures are often resistant to treatment and lead to cognitive decline. The etiology of epileptic encephalopathies is multifactorial, ranging f... | PubMed Open Access |
Cell adherence and drug delivery from particle based mesoporous silica films | Spatially and temporally controlled drug delivery is important for implant and tissue engineering applications, as the efficacy and bioavailability of the drug can be enhanced, and can also allow for drugging stem cells at different stages of development. Long-term drug delivery over weeks to months is however difficul... | cell_adherence_and_drug_delivery_from_particle_based_mesoporous_silica_films | 3,991 | 288 | 13.857639 | Introduction<!>Chemicals and cells<!>Film synthesis<!>COOH-functionalization<!>Labeling with ATTO dye<!>DiO loading and release<!>Substrate patterning<!>Cell culture<!>Material characterization<!>Biological assessment<!>Results and discussion<!>Cell culture and adherence<!>00, and (d) a silicon wafer without film. Stai... | <p>The development of controlled drug delivery systems that can administer drugs locally and with a regulated release profile within the human body is of great relevance for e.g. medical implants and tissue engineering applications. 1 Especially challenging is the delivery of hydrophobic drugs, which cannot be administ... | ChemRxiv |
The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay | AbstractHistone deacetylase 3 (HDAC3) is a potential target for the treatment of human diseases such as cancers, diabetes, chronic inflammation and neurodegenerative diseases. Previously, we proposed a virtual screening (VS) pipeline named “Hypo1_FRED_SAHA-3” for the discovery of HDAC3 inhibitors (HDAC3Is) and had thor... | the_discovery_of_novel_hdac3_inhibitors_via_virtual_screening_and_in_vitro_bioassay | 5,183 | 286 | 18.122378 | Introduction<!><!>Introduction<!>Chemical library and ligand preparation<!>Access to the VS pipeline and its usage<!>Hypo1-based pharmacophore filtering<!>FRED docking against SAHA-3<!>Generation of a binding pose set for building PF<!>Quantitative description of binding poses: classes and features<!>Binary QSAR modell... | <p>Histone deacetylase 3 (HDAC3) is a zinc-dependent enzyme and belongs to the HDACs family. Like the other members of this family, it functions to catalyse histone deacetylation thus is involved in the maintenance of acetylation homeostasis, i.e. a balance between acetylation and deacetylation
1
. Since the homeostasi... | PubMed Open Access |
Extension of the Flory-Rehner Theory of Swelling to an Anisotropic Polymer System | The Flory-Reimer theory for isotropic swelling of rubber crosslinked in the dry state is extended to an anisotropic system crosslinked in the dry, oriented state. The new parameters introduced into the equation can be readily determined from dimensional changes of the fiber in a suitable solvent using a photomicrograph... | extension_of_the_flory-rehner_theory_of_swelling_to_an_anisotropic_polymer_system | 1,302 | 90 | 14.466667 | 1. Introduction<!>Modification of the Flory-Rehner Theory of Swelling<!>2. Experimental Procedure<!> | <p>An important objective in the proper evaluation of network structures is the determination of swelling equilibrium volume ratio
qm=VV0, and the calculation of the average molecular weight between crosslinks
(M¯c). There are two classical methods for the determination of the swelling equilibrium volume ratios: (a) ... | PubMed Open Access |
Intracellular free zinc up-regulates IFN-\xce\xb3 and T-bet essential for Th1 differentiation in Con-A stimulated HUT-78 cells | Zinc deficiency impairs cellular immunity. Up-regulation of mRNA levels of IFN-\xce\xb3, IL-12R\xce\xb22, and T-bet are essential for Th1 differentiation. We hypothesized that zinc increases Th1 differentiation via up-regulation of IFN-\xce\xb3 and T-bet expression. To test this hypothesis, we used zinc-deficient and z... | intracellular_free_zinc_up-regulates_ifn-\xce\xb3_and_t-bet_essential_for_th1_differentiation_in_con | 1,959 | 225 | 8.706667 | 1. INTRODUCTION<!>2.1. Cell culture and media<!>2.2. ELISA assay of cytokines and real time RT-PCR<!>2.3. TPEN study<!>2.4. Intracellular free zinc assay<!>2.5. Statistical analysis<!>3. RESULTS<!>4. DISCUSSION | <p>Zinc is an essential trace element and plays an important role in immune functions in both humans and experimental animals [1, 2]. Abnormalities of cellular immunity such as decreased thymulin activity, reduced ratio of CD4+/CD8+ T cells, and decreased production of IL-2 [1, 2], and decreased natural killer cell (NK... | PubMed Author Manuscript |
Chemoenzymatic Synthesis of a Library of Human Milk Oligosaccharides | Human milk oligosaccharides (HMOs) are a family of diverse unconjugated glycans that exist in human milk as one of the major components. Characterization, quantification, and biofunctional studies of HMOs remain a great challenge due to their diversity and complexity. The accessibility of a homogeneous HMO library is e... | chemoenzymatic_synthesis_of_a_library_of_human_milk_oligosaccharides | 11,341 | 156 | 72.698718 | INTRODUCTION<!>Convergent Core Synthesis<!>Synthesis of Building Blocks<!>Synthesis of Core Oligosaccharides<!>Enzymatic Extension of Core Structures<!>CONCLUSION<!>General Methods<!>A. Transformation of N-Phth to NHAc<!>B. Deacetylation<!>C. Deprotection of Benzyl Group<!>D. Production of Oligosaccharyl Bromide<!>E. E... | <p>Human milk, as the sole dietary source, contains all the necessary nutrients for an infant to thrive in the first few months. More importantly, human milk can also provide ingredients with health benefits which traditional food cannot do. Human milk oligosaccharides (HMOs) are the third major component in human milk... | PubMed Author Manuscript |
Recent advances in phosphorescent platinum complexes for organic light-emitting diodes | Phosphorescent organometallic compounds based on heavy transition metal complexes (TMCs) are an appealing research topic of enormous current interest. Amongst all different fields in which they found valuable application, development of emitting materials based on TMCs have become crucial for electroluminescent devices... | recent_advances_in_phosphorescent_platinum_complexes_for_organic_light-emitting_diodes | 8,570 | 249 | 34.417671 | <!>Introduction<!>Platinum complexes bearing mono-dentate ligands<!><!>Platinum complexes bearing mono-dentate ligands<!><!>Platinum complexes bearing mono-dentate ligands<!>Systems based on bidentate ligands<!><!>Systems based on bidentate ligands<!><!>Systems based on bidentate ligands<!><!>Systems based on bidentate... | <p>This article is part of the Thematic Series "Recent advances in materials for organic light emitting diodes".</p><!><p>Photoactive TMCs have attracted enormous attention in the last two decades because of their peculiar photophysical and rich redox properties, which make them appealing from both fundamental research... | PubMed Open Access |
Nonribosomal Propeptide Precursor in Nocardicin A Biosynthesis Predicted from Adenylation Domain Specificity Dependent on the MbtH Family Protein NocI | Nocardicin A is a monocyclic \xce\xb2-lactam isolated from the actinomycete Nocardia uniformis that shows moderate antibiotic activity against a broad spectrum of Gram-negative bacteria. The monobactams are of renewed interest due to emerging Gram-negative strains resistant to clinically available penicillins and cepha... | nonribosomal_propeptide_precursor_in_nocardicin_a_biosynthesis_predicted_from_adenylation_domain_spe | 7,502 | 253 | 29.652174 | Introduction<!>Adenylation Domain Specificities of NocA and NocB<!>Interaction of MbtH Proteins NocI and NocP with Nocardicin A-domains<!>Phylogenic Analysis of N. uniformis ATCC 21806<!>Genome Mining for Trypsin Proteases in A. mirum<!>Trypsin Proteolysis of Pentapeptide Precursor<!>Discussion<!>Conclusion<!>Cloning o... | <p>The peptide core of many bioactive natural products, such as the antibiotics penicillin, vancomycin, and daptomycin, is biosynthesized by large modular proteins known as nonribosomal peptide synthetases (NRPS).1 Interactions between NRPSs and other proteins are essential for overall catalytic function. NRPS proteins... | PubMed Author Manuscript |
X-Ray Photoelectron Spectroscopy on Microbial Cell Surfaces: A Forgotten Method for the Characterization of Microorganisms Encapsulated With Surface-Engineered Shells | Encapsulation of single microbial cells by surface-engineered shells has great potential for the protection of yeasts and bacteria against harsh environmental conditions, such as elevated temperatures, UV light, extreme pH values, and antimicrobials. Encapsulation with functionalized shells can also alter the surface c... | x-ray_photoelectron_spectroscopy_on_microbial_cell_surfaces:_a_forgotten_method_for_the_characteriza | 5,375 | 366 | 14.685792 | <!>Introduction<!>Overview of Different Surface-Engineered Encapsulating Shells and Their Characterization<!><!>Organic Encapsulating Materials<!><!>Organic Encapsulating Materials<!>Inorganic Encapsulating Materials<!><!>Inorganic Encapsulating Materials<!>Organic-Inorganic Hybrid Encapsulating Materials<!><!>Organic-... | <p>Opinions and assertions contained herein are those of the authors and are not construed as necessarily representing views of their respective employers.</p><!><p>Life needs continuous protection against environmental conditions. The development of ordered microscopic structures on the surface of archaea has placed t... | PubMed Open Access |
Inverse material search and synthesis verification by hand drawings via transfer learning and contour detection | Nanomaterials of various morphologies and chemistry have an extensive use as photonic devices, advanced catalysts, sorbents for water purification, agrochemicals, platforms for drug delivery as well as imaging systems to name a few. However, search for synthesis routes giving custom nanomaterials for particular needs w... | inverse_material_search_and_synthesis_verification_by_hand_drawings_via_transfer_learning_and_contou | 2,265 | 311 | 7.282958 | <!>Results and discussion<!>ABBREVIATIONS | <p>The ever-growing amount of experimental data devoted to nanomaterials properties and its synthesis procedures creates a need for fully systematized data collection, storage, and precise search. Several annotated materials synthesis-related databases exist, [19][20][21] where the content is usually processed via natu... | ChemRxiv |
1,3,4-Thiadiazole Scaffold: As Anti-Epileptic Agents | A wide range of biological activities is exhibited by 1,3,4-thiadiazole moiety such as antidiabetic, anticancer, anti-inflammatory, anticonvulsant, antiviral, antihypertensive, and antimicrobial. To date, drugs such as butazolamide, and acetazolamide. Several modifications have been done in the 1,3,4-thiadiazole moiety... | 1,3,4-thiadiazole_scaffold:_as_anti-epileptic_agents | 4,276 | 71 | 60.225352 | Introduction<!><!>Introduction<!><!>Introduction<!>The Pharmacophoric Pattern of 1,3,4-Thiadiazole Responsible for Anticonvulsant Activity<!>Mechanism of Action of 1,3,4-Thiadiazole in Treatment of Epilepsy<!>1,3,4-Thiadiazole Derivatives as Anti-Convulsant<!><!>1,3,4-Thiadiazole Derivatives as Anti-Convulsant<!><!>1,3... | <p>Epilepsy is a CNS disease in which the activity of neuronal cells becomes abnormal, causing seizures, loss, or disturbance of consciousness with or without convulsion (Tripathi, 2013). In epileptic patients, a temporary disturbance in the messaging systems between brain cells is caused by a sudden surge of electrica... | PubMed Open Access |
Organic chemistry as representation | Electron redistribution is the cornerstone of our understanding of chemical reactivity. For the vast majority of organic reactions electrons are assumed to move in pairs providing explanatory mechanisms through the generation of intermediate structures. But for many transformations these discrete steps are idealized co... | organic_chemistry_as_representation | 2,844 | 127 | 22.393701 | <!>Organic chemistry as representation<!>Representing organic mechanisms<!>A bridge too far<!>An alternative | <p>The electronic theory of organic chemistry functions by first assimilating the molecule of interest to a standard type whose behavior is already known, and then employing a small set of structural concepts to provide explanations for a significantly greater number of chemical transformations for that system. Success... | PubMed Author Manuscript |
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