Keywords: تعادل سازنده; Silacyclohexanes; Silaheterocyclohexanes; Conformational equilibrium; Barrier to ring inversion; Steric effects; Electrostatic effects;
مقالات ISI تعادل سازنده (ترجمه نشده)
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Propafenone effects on the stable structures of Aβ16-22 system
Keywords: تعادل سازنده; Propafenone; Replica exchange molecular dynamics; Amyloid beta Aβ16-22; Conformational equilibrium;
Effects of the Arg9Cys and Arg25Cys mutations on phospholamban's conformational equilibrium in membrane bilayers
Keywords: تعادل سازنده; Phospholamban; Conformational equilibrium; Solid-state NMR; SERCA; Ca2+ regulation; Dilated cardiomyopathy;
Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen
Keywords: تعادل سازنده; Cytochrome P450; Biocatalysis; Protein engineering; Conformational equilibrium;
Isolation and structural characterization of new piperidine alkaloids from Prosopis affinis
Keywords: تعادل سازنده; Conformational equilibrium; Ãandubay; Piperidine alkaloids; Prosopis affinis;
Structural, conformational and vibrational properties of 1,1,1-Trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl chloride, CF3CF2NS(Cl)CF3
Keywords: تعادل سازنده; Vibrational spectroscopy; Quantum chemical calculations; Conformational equilibrium; 1,1,1-Trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl chloride;
Stereochemistry of 3-isopropoxy-3-methyl-1,3-oxasilinane-the first 3-silatetrahydropyran with an exo-cyclic RO-Si bond
Keywords: تعادل سازنده; 1,3-Oxasilinanes; Conformational equilibrium; Barrier to ring inversion; Solvent effects; Assignment of stereochemistry;
CF3CF2NS(F)CF3: Vibrational spectra and conformational properties
Keywords: تعادل سازنده; Vibrational spectroscopy; Quantum chemical calculations; Conformational equilibrium; 1,1,1-Trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl fluoride
Metamorphic protein IscU alternates conformations in the course of its role as the scaffold protein for iron-sulfur cluster biosynthesis and delivery
Keywords: تعادل سازنده; ADP; adenosine diphosphate; ATP; adenosine triphosphate; IscU; scaffold protein for Fe-S cluster biosynthesis and delivery; HscA; DnaK-type chaperone; HscB; DnaJ-type co-chaperone; IscS; cysteine desulfurase; IscU; apo-form of the iron-sulfur scaffold
Effect of substituents and structural modification on conformational equilibrium in bis-quinolizidine system
Keywords: تعادل سازنده; Quinolizidine alkaloids; Effect of substituents; Conformational equilibrium; 13C NMR; 1H NMR; DFT;
A comparative study of dynamic NMR spectroscopy in analysis of selected N-alkyl-, N-acyl-, and halogenated cytisine derivatives
Keywords: تعادل سازنده; Cytisine; N-cytisine derivatives; Dynamic NMR spectroscopy; X-ray of cytisine derivatives; Conformational equilibrium
Influence of solvents on the conformation of benzoin
Keywords: تعادل سازنده; Benzoin; Infrared spectra; Dipole moments; Hydrogen bonding; Conformational equilibrium; Solvation
Evaluation of the conformational equilibrium of reduced hen egg lysozyme by antibodies to the native form
Keywords: تعادل سازنده; Antigen–antibody interaction; Binding kinetics; Conformational epitope; Conformational equilibrium; Surface plasmon resonance
Synthesis and conformational analysis of carbasugar bioisosteres of α-l-iduronic acid and its methyl glycoside
Keywords: تعادل سازنده; Heparin; Conformational equilibrium; NMR; Molecular modelling
The spatial structure of 13α-hydroxy-2-thionosparteine - a potential hypoglycemic agent - and some related compounds
Keywords: تعادل سازنده; bis-Quinolizidine alkaloids; Conformational equilibrium; 13α-t-Butyldimethylsilyloxylupanine; 13α-t-Butyldimethylsilyloxy-2-thionosparteine;
Structure and conformational motion of seven-coordinate diorganotin(IV) complexes derived from salen and salan type ligands
Keywords: تعادل سازنده; Salen and salan; Tin; Hypercoordination; Conformational equilibrium; X-ray crystallography
Polar substituent effect of the ester group on conformational equilibria of O-mono-substituted cyclohexanes-the para-substituent effect in cyclohexyl benzoates
Keywords: تعادل سازنده; 1H and 13C NMR spectroscopy; DFT theoretical calculations; Hyperconjugation; Conformational equilibrium; Cyclohexyl benzoates; HRMS;
Conformational preferences of 2-isopropylaminoethanol in aqueous solution using the CPCM continuum solvation model
Keywords: تعادل سازنده; 2-Isopropylaminoethanol; Solvation Gibbs energy; CPCM; Conformational equilibrium; Monohydrates;
Matrix isolation study of ethyl chloroformate, ClC(O)OCH2CH3
Keywords: تعادل سازنده; Ethyl chloroformate; Matrix-isolation; IR; Conformational equilibrium
Synthesis and geometry of methyl (methyl 4-O-acetyl-3-azido-2,3-dideoxy-α/β-d-arabino- and -α/β-d-ribo-hexopyranosid)uronates
Keywords: تعادل سازنده; Sugar amino acid; X-ray diffraction; Anomeric effect; Mesomeric effect; Hybridization; Conformational equilibrium
Équilibres conformationnels du 1,2-dibromocyclohexane : étude théorique des effets des solvants
Keywords: تعادل سازنده; 1,2-Dibromocyclohexane; Équilibre conformationnel; Rotamères; Effets des solvants1.2-Dibromocyclohexane; Conformational equilibrium; Rotamers; Solvents effects
Excited state intramolecular proton transfer in amino 2-(2â²-hydroxyphenyl)benzazole derivatives: Effects of the solvent and the amino group position
Keywords: تعادل سازنده; Conformational equilibrium; Dual fluorescence; ESIPT; Fluorescent dyes;
A theoretical and experimental study of the conformational behavior of methyl 3-nitrobenzoate in vacuum, in various solvents, and in solid state
Keywords: تعادل سازنده; Methyl 3-nitrobenzoate; Conformational equilibrium; DFT calculations; Infrared spectra; Solvent effect;
Microwave spectrum and conformation of n-propyltrifluorosilane
Keywords: تعادل سازنده; n-Propyltrifluorosilane; Microwave spectroscopy; Antiperiplanar onformation; Conformational equilibrium; Centrifugal distortion;
Synthesis of trans/cis 4-substituted 3-furyl-2-phenethyltetrahydroisoquinolin-1-ones: conformation of the trans-4-(pyrrolidinylcarbonyl) derivative
Keywords: تعادل سازنده; trans- and cis-Tetrahydroisoquinoline; Carboxamides; Conformational equilibrium; Ab initio and DFT calculations; Crystal structure; Dynamic NMR;
A novel mechanism for the modulation of the Ras-effector interaction by small molecules
Keywords: تعادل سازنده; Ras; 31P NMR; Anti-tumor therapy; Conformational equilibrium;
Comparative study of novel sulfonylcalix[4]arene derivative compounds
Keywords: تعادل سازنده; Sulfonylcalix[4]arene; Conformational equilibrium; DFT; Solvent effect;
Computational study of calix[4]arene derivatives and complexation with Zn2+
Keywords: تعادل سازنده; Calix[4]arenes; Conformational equilibrium; Zinc complex; DFT;