Alkyne-X modification of polypeptoids
Keywords: Polypeptoid; NCA; Post-polymerization modification; Click chemistry;
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Altered profile of gut microbiota after subchronic exposure to neochamaejasmin A in rats
Keywords: IBD; inflammatory bowel disease; IBS; irritable bowel syndrome; NCA; neochamaejasmin A; ALT; alanine aminotransferase; AST; aspartate aminotransferase; ALB; albumin; ALP; alkaline phosphatase; BUN; blood urea nitrogen; CREA; creatinine; CHE; cholinesteras
Minireview: Mode of action of meta-diamide insecticides
Keywords: DM-RDL; Drosophila RDL GABA receptor subunit; EBOB; 4â²-ethynyl-4-n-propylbicycloorthobenzoate; GABA; γ-aminobutyric acid; GABAAR; GABA type A receptor; GlyR; glycine receptor; GluCl; glutamate-gated chloride channel; 5-HT3 receptor; serotonin type-3 re
Coronaridine congeners inhibit human α3β4 nicotinic acetylcholine receptors by interacting with luminal and non-luminal sites
Keywords: AChR; nicotinic acetylcholine receptor; NCA; noncompetitive antagonist; RT; room temperature; Ki; inhibition constant; Kd; dissociation constant; IC50; ligand concentration that produces 50% inhibition of binding (or of agonist activation); nH; Hill coeff
DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
Keywords: DFT; FTIR and FT-Raman spectra; NCA; NBO; HOMO–LUMO
Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid
Keywords: m-Trifluoromethyl benzoic acid; DFT calculations; PED; Thermodynamic functions; IR and Raman; NCA
Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method
Keywords: FTIR and FT-Raman spectra; NCA; HOMA; UV; DOSs;
Synthesis, structure, spectroscopic studies (FT-IR, FT-Raman and UV), normal coordinate, NBO and NLO analysis of salicylaldehyde p-chlorophenylthiosemicarbazone
Keywords: Thiosemicarbazone compound; FT-IR and FT-Raman spectra; UV spectrum; NCA; NBO and NLO; αβDOS
Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO–LUMO of midodrine by using density functional methods
Keywords: FTIR; FT-Raman; DFT; NCA; NBO
Target-mediated clearance and bio-distribution of a monoclonal antibody against the Kunitz-type protease inhibitor 2 domain of Tissue Factor Pathway Inhibitor
Keywords: AUC; area under the curve; Cl; clearance; DAB; 3,3â²-diaminobenzidine; dIF; double immunofluorescence; EGFR; epidermal growth factor receptor; GAG; glycosaminoglycans; GPI; glycosylphosphatidylinositol; FVIII; Factor VIII; FIX; Factor IX; FXa; Factor Xa;
Influence of the technical process parameters on structural, mechanical and electrochemical properties of LiNi0.8Co0.15Al0.05O2 based electrodes – A review
Keywords: Lithium ion batteries; Blend electrodes; LiMn2O4 spinel; NCA; Electrode manufacturing; Mixing
FT-IR, FT-Raman, UV-Vis spectral and normal coordinate analysis of chlorzoxazone
Keywords: CHLZ; NCA; NBO; HOMO LUMO analysis; DFT;
Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method
Keywords: DFT; FTIR and FT-Raman spectra; NCA; NBO;
The spectroscopic (FT-IR, FT-Raman and NMR), NCA, Fukui function analysis first order hyperpolarizability, TGA of 6-chloro-3,4dihydro-2H-1,2,4-benzothiazine-7-sulphonamide1,1-dioxide by ab initio HF and Density Functional method
Keywords: FTIR and FT Raman spectra; NCA; NBO; Fukui function; TGA
Simulation and analysis of stress in a Li-ion battery with a blended LiMn2O4 and LiNi0.8Co0.15Al0.05O2 cathode
Keywords: Lithium ion battery; Stress; Model; Multiple active materials; LMO; NCA;
Normal coordinate analysis, molecular structure, vibrational and electronic spectral investigation of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method
Keywords: HF; DFT; PES; NCA; NBO; Fukui functions;
Increased volume of distribution for recombinant activated factor VII and longer plasma-derived factor VII half-life may explain their long lasting prophylactic effect
Keywords: pdFVII; Plasma-derived factor VII; rFVIIa; Recombinant activated factor VII; FVII; Factor VII; NCA; Non-Compartmental Analysis; OCA; One-Compartmental Analysis; Hb; Hemoglobin; T½; Half-life; Cmax; Peak plasma concentration of a drug after administration
The Biophysical Properties of the Aorta Are Altered Following Kawasaki Disease
Keywords: Mucocutaneous lymph node syndrome; Systemic vasculitis; Aortitis; Sequelae; ADM; Aortic diameter modulation; BPA; Biophysical properties of the aorta; CA; Coronary artery; Ep; Elastic modulus; KD; Kawasaki disease; nCA; No coronary artery involvement; PWV
(â)-Reboxetine inhibits muscle nicotinic acetylcholine receptors by interacting with luminal and non-luminal sites
Keywords: AChR; nicotinic acetylcholine receptor; NSRI; norepinephrine selective reuptake inhibitor; TCAs; tricyclic antidepressants; NCA; non-competitive antagonist; (â)-reboxetine; (â)-R,R-([2-[α[2-ethoxyphenoxy]benzyl]-morpholine); PCP; phencyclidine; [3H]T
Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole
Keywords: FT-IR; FT-Raman; Vibrational analysis; NCA; PES-grid; TD-DFT;
FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule
Keywords: FTIR and FT-Raman spectra; NBO; HOMO-LUMO; NCA;
Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids
Keywords: DFT; FTIR and FT Raman spectra; UV; NCA; NBO; Fukui function;
Electronic structure investigations and spectroscopic studies on the herbicidal molecule 4-Nitro phenyl-phenylether
Keywords: FTIR; Raman; DFT; NBO; NCA; ESP;
Vibrational spectral analysis of anti-neurodegenerative drug Levodopa: A DFT study
Keywords: FT-IR; FT-Raman; NBO; Conjugation; NCA; Molecular docking
An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate
Keywords: Vibrational analysis; DFT; PES-grid; NCA; Hyperpolarizability; NMR;
Synthesis, spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone
Keywords: FT-IR; FT-Raman; NCA; NBO; NLO; DFT
Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N′-sulfamoylpropanimidamide
Keywords: DFT; Vibrational analysis; NCA; PES; Bond order; Hyperpolarizability
Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method
Keywords: Vibrational spectra; NCA; UV; NBO; HOMO–LUMO; First-order hyperpolarizability
Protective effect of Heliotropium foertherianum (Boraginaceae) folk remedy and its active compound, rosmarinic acid, against a Pacific ciguatoxin
Keywords: CADPE; caffeic acid 3,4-dihydroxy-phenethyl ester; CAPE; caffeic acid phenethyl ester; CFP; Ciguatera Fish Poisoning; CTXs; ciguatoxins; LDH; lactate dehydrogenase; MTT; 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide; NCA; neuroblastoma
Application of knockout mouse models to investigate the influence of FcγR on the tissue distribution and elimination of 8C2, a murine IgG1 monoclonal antibody
Keywords: mAbs; monoclonal antibodies; PK; pharmacokinetics; IgG; immunoglobulin G; FcRn; Fc-receptor of the neonate; FcγR; Fc receptors for IgG; WBAL; whole-body autoradioluminography; AUC; area under the concentration vs. time profiles; NCA; noncompartmental pha
Structural and functional interaction of (±)-2-(N-tert-butylamino)-3â²-iodo-4â²-azidopropiophenone, a photoreactive bupropion derivative, with nicotinic acetylcholine receptors
Keywords: AChR; nicotinic acetylcholine receptor; NCA; noncompetitive antagonist; α-BTx; α-bungarotoxin; BP; (±)-bupropion [(±)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one]; (±)-SADU-3-72; (±)-2-(N-tert-butylamino)-3â²-iodo-4â²-azidopropiophenone; PC
A comparison of NCO and NCA transfer methods for biological solid-state NMR spectroscopy
Keywords: Dipolar recoupling; NCO; NCA; Optimal control;
The position of the double bond in monounsaturated free fatty acids is essential for the inhibition of the nicotinic acetylcholine receptor
Keywords: ACh; acetylcholine; AChR; nicotinic acetylcholine receptor; Carb; carbamylcholine; Chol; cholesterol; CrV; crystal violet; DPH; 1,6-diphenyl-1,3,5-hexatriene; FFAs; free fatty acids; sFFAS; saturated free fatty acids; cis-FFAs; cis-unsaturated free fatty
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV–vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional
Keywords: FT-IR; FT-Raman; NCA; NBO analysis; Benzophenone 2,4-dicarboxylic acid
Saddle-Shape Annuloplasty Increases Mitral Leaflet Coaptation After Repair for Flail Posterior Leaflet
Keywords: AA; anterior annulus; AC; anterior commissure; AH; annular height; AHWCR; annular height to commissural width ratio; AML; anterior mitral leaflet; AoV; aortic valve; CW; commissural width; LA; left atrium; LV; left ventricle; LVOT; left ventricular outflo
GABAA receptor open-state conformation determines non-competitive antagonist binding
Keywords: EV; empty vector; GABAAR; γ-aminobutyric acid (GABA) type A receptor; GFP; green fluorescent protein; [3H]EBOB; 4-n-[3H]propyl-4â²-ethynylbicycloorthobenzoate; NCA; non-competitive antagonist; TM; transmembrane; WT; wildtype; Chimeragenesis; GABAA recep
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method
Keywords: FT-IR; FT-Raman; NCA; NBO analysis; TD-DFT
The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of l-cysteine by ab inito HF and density functional method
Keywords: FT-IR; FT-Raman; NCA; NBO analysis; Hydrogen bonding; l-cysteine
Synthesis of well-defined star-branched polymers by stepwise iterative methodology using living anionic polymerization
Keywords: NCA; N-Carboxyanhydrides; PA; Polyacetylene; DVB; Divinylbenzene; RLi; Alkyllithium; PS; Polystyrene; PI; Polyisoprene; PB; Polybutadiene; MMA; Methyl methacrylate; EO; Ethylene oxide; PMMA; Poly(methyl methacrylate); PEO; Poly(ethylene oxide); PSLi; Poly
Bile acid toxicity structure-activity relationships: Correlations between cell viability and lipophilicity in a panel of new and known bile acids using an oesophageal cell line (HET-1A)
Keywords: GCA; glcyocholic acid; GCDCA; glycochenodeoxycholic acid; GDCA; glycodeoxycholic acid; GUDCA; glycoursodeoxycholic acid; HSA; hydrophobic surface area; HCA; hyocholic acid; NCA; nutriacholic acid; UCA; ursocholic acid; PSA; polar surface area; TCA; tauroc
Interaction of ibogaine with human α3β4-nicotinic acetylcholine receptors in different conformational states
Keywords: AChR; nicotinic acetylcholine receptor; NCA; noncompetitive antagonist; PCP; phencyclidine; [3H]TCP; [piperidyl-3,4-3H(N)]-(N-(1-(2 thienyl)cyclohexyl)-3,4-piperidine); Ibogaine (or 12-methoxyibogamine); 7-ethyl-6,2,7,8,9,10,12,13-octahydro-2-methoxy-6,9-
The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method
Keywords: IR; IR gas phase; FT-Raman; NCA; NBO analysis; TD-DFT
Band diagram for chemical vapor deposition diamond surface conductive layer: Presence of downward band bending due to shallow acceptors
Keywords: CNL; charge neutrality level; DBB/SA; downward band bending with shallow acceptor; EDC; energy distribution curve; NCA; negative charge accumulation; SBD; surface band diagram; SC; surface conductivity; STD; surface transfer doping; Chemical vapor deposit
Synthesis of novel ABA triblock and (ABA)n multiblock copolymers comprised of polyisobutylene and poly(γ-benzyl-l-glutamate) segments
Keywords: Living cationic polymerization; Polyisobutylene; Poly(γ-benzyl-l-glutamate); NCA; Block copolymers;
Synthesis and self-assembly of a novel Y-shaped copolymer with a helical polypeptide arm
Keywords: Biodegradable; NCA; Ring-opening polymerization;
Is the inhibition of nicotinic acetylcholine receptors by bupropion involved in its clinical actions?
Keywords: Bupropion (BP); (±)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one; DA; dopamine; DAT; dopamine transporter; NE; norepinephrine; NET; norepinephrine transporter; NDRI; norepinephrine-dopamine reuptake inhibitor; 5-HT; 5-hydroxytryptamine (serotonin);
Globally predicting protein functions based on co-expressed protein-protein interaction networks and ontology taxonomy similarities
Keywords: GO; Gene Ontology; GESTs; Gene Expression Similarity and Taxonomy Similarity; MIPS; Munich Information Center for Protein Sequences; SGD; Saccharomyces Genome Database; LOO; leave-one-out; APD; average prediction depth; RP; the proportion of the predictio
Effects of P2, a peptide derived from a homophilic binding site in the neural cell adhesion molecule on learning and memory in rats
Keywords: scopolamine; rat; Morris water maze; social recognition test; T-maze; open fieldANOVA, analysis of variance; BSA, bovine serum albumin; CSF, cerebrospinal fluid; FGFR, fibroblast growth factor receptor; Ig, immunoglobulin; LTP, long-term potentiation; NCA
Optimal control based NCO and NCA experiments for spectral assignment in biological solid-state NMR spectroscopy
Keywords: Optimal control based optimization; Dipolar recoupling; NCO; NCA; NCOCX; 2D, 3D assignment; Sample heating; Ubiquitin;