Keywords: اوراق قرضه H; Cold denaturation; Water density; H-bonds; Solvent-excluded volume effect; Water translational entropy; Chain conformational entropy; Electrostatic repulsion;
مقالات ISI اوراق قرضه H (ترجمه نشده)
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Keywords: اوراق قرضه H; Fluorenone; Biological entities; H-bonds; Stoichiometry; Zwitterionic form;
Keywords: اوراق قرضه H; H-bonds; Argon; Water; Alcohols of the methanol series;
Keywords: اوراق قرضه H; Work of cavity creation; Water; LJ liquid; H-bonds; Particle diameter; Volume packing density; Liquid number density;
Keywords: اوراق قرضه H; Molecular dynamics; Calcium silicate hydrate; H-bonds;
Keywords: اوراق قرضه H; Caseins and casein micelles; Hydrophobic interaction; H-bonds; Electrostatic repulsion; Hydrophobic cluster analysis;
First examples of diprotonated guanazolinium salts with fluoro-anions
Keywords: اوراق قرضه H; 3,5-Diamino-1,2,4-triazolium; Fluoride; H-bonds; Crystal structure;
Keywords: اوراق قرضه H; Thermoplastic elastomers; H-bonds; Scattering;
Keywords: اوراق قرضه H; Azobenzene; Polyimides; Supramolecular polymers; H-bonds; Surface relief gratings (SRGs)
Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex
Keywords: اوراق قرضه H; Copper(II)-hydrazone complex; 1D chain; H-bonds; Antiferromagnetism; Ï-Hole interaction; MEP analysis;
Synthesis, characterization, hirshfeld surface and theoretical properties of a new non-centrosymmetric inorganic/organic material: (C7H12N2)7[β-SbMo6O24]2·8H2O
Keywords: اوراق قرضه H; Chemical synthesis; X-ray diffraction; H-bonds; Polyoxometalates; Anderson anion; Infrared spectroscopy;
Organogels, promising drug delivery systems: an update of state-of-the-art and recent applications
Keywords: اوراق قرضه H; Organogel; Bigel; Organogelator; Drug delivery; Characterization; Semi-solid dosage form; AFM; Atomic Force Microscopy; AOT; sodium bis-2-ethylhexyl-sulfosuccinate; AuNPs; gold nanoparticles; CGC; critical gelator concentration; CH3OH; Methanol; chlorofor
Properties of UV-cured self-healing coatings prepared with PCDL-based polyurethane containing multiple H-bonds
Keywords: اوراق قرضه H; UV-curable; Self-healing coatings; Polyurethane; H-bonds;
Investigation of structural dynamics of Thrombocytopenia Cargeeg mutants of human apoptotic cytochrome c: A molecular dynamics simulation approach
Keywords: اوراق قرضه H; Thrombocytopenia; Apoptosis; Molecular dynamics; H-bonds; Conformational switch;
Syntheses, structural diversity and dye adsorption properties of various Co(II) coordination polymers based on rigid tris(imidazolyl) and dicarboxylate ligands
Keywords: اوراق قرضه H; Cobalt coordination polymers; H-bonds; Supramolecular framework; Tib-metallic structure; Dye adsorption;
Interaction between temozolomide and HCl: Preferred binding sites
Keywords: اوراق قرضه H; H-bonds; Regioselectivity; Molecular electrostatic potential; NBO;
Hydrothermal synthesis of a new organic–inorganic hybrid with Dawson type polyanions as building blocks: Na3(C7NH8O2)3[P2W18O62]·16H2O
Keywords: اوراق قرضه H; Chemical synthesis; X-ray diffraction; H-bonds; Polyoxometalates; Anderson anion; Infrared spectroscopy
Antiferromagnetic spin chain behavior and a transition to 3D magnetic order in Cu(D,L-alanine)2: Roles of H-bonds
Keywords: اوراق قرضه H; Spin chains; Phase transition; Exchange interactions; H-bonds;
Novel non-peptide small molecules preventing IKKβ/NEMO association inhibit NF-κB activation in LPS-stimulated J774 macrophages
Keywords: اوراق قرضه H; ADME; absorption, distribution, metabolism, and excretion; DMEM; Dulbecco's modified Eagle's medium; DMSO; dimethyl sulfoxide; EMSA; Electrophoretic Mobility Shift Assay; Erk; extracellular-signal-related kinase; FBS; foetal bovine serum; GAPDH; glyce
Towards an understanding of the CO2-philicity in glycine: Deepening into the CO2:Aminoacid interactions
Keywords: اوراق قرضه H; Weak interactions; Tetrel bonds; H-bonds; CH···O bonds; Ï-hole;
A new benzodiazepine molecule and its interactions with diorganotin(IV)chlorides
Keywords: اوراق قرضه H; Benzodiazepine; Tin(IV); Trigonal bipyramidal; H-bonds; Helical structure
Synthesis, solution and crystal structure of the coenzyme B12 analogue Coβ-2′-fluoro-2′,5′-dideoxyadenosylcobalamin
Keywords: اوراق قرضه H; Electrosynthesis; Fluorine label; NMR; H-bonds; Vitamin B12; X-ray structure
14N Nuclear Quadrupole Resonance Study of Piroxicam: Confirmation of New Polymorphic Form V
Keywords: اوراق قرضه H; piroxicam; polymorphism; physical characterization; spectroscopy; 14N nuclear quadrupole resonance (NQR); H-bonds; X-ray powder diffractometry; calorimetry (DSC); FTIR; Raman spectroscopy;
H ferritin silencing induces protein misfolding in K562 cells: A Raman analysis
Keywords: اوراق قرضه H; 2'-7'-DCF; 2'-7'-dichlorodihydrofluorescein; AβP; β-amiloid protein; BCA; bicinchoninic acid; CM-H2CFDA, 5-(and-6)-carboxy-2'; 7'dichlorofluorescein; DCDR; drop coating deposition Raman; EMSC; extended multiplicative signal correction; FHC; ferr
Mixed-ligand complexes of Zn(II), Cd(II) and Cu(II) with triethanolamine and p-nitrobenzoic acid: Syntheses and crystal structures
Keywords: اوراق قرضه H; Mixed-ligand complex; Triethanolamine; p-Nitrobenzoatic acid; Crystal structure; H-bonds;
Molecular dynamics study of water and ions transport in nano-pore of layered structure: A case study of tobermorite
Keywords: اوراق قرضه H; Molecular dynamics; Tobermorite; H-bonds; Diffusion coefficient; Chloride binding
A series of crystalline solids composed of aminopyridines and succinic, fumaric, and sebacic acids
Keywords: اوراق قرضه H; Aminopyridines; Dicarboxylic acids; H-bonds; Heterosynthons; Crystal structures
Two dinuclear pyrophosphate-bridged copper(II) complexes displaying unusually strong OHO interactions
Keywords: اوراق قرضه H; Crystal structure; Pyrophosphate-bridge; Binuclear copper(II) complex; H-bonds; π–π bonds; EPR
Cooperative deformation of carboxyl groups in functionalized carbon nanotubes
Keywords: اوراق قرضه H; Bio-inspired; Fiber; Mechanical properties; Deformation; Cooperativity; H-bonds; Functionalization; Carbon nanotubes
In vitro anti-leishmania evaluation of nickel complexes with a triazolopyrimidine derivative against Leishmania infantum and Leishmania braziliensis
Keywords: اوراق قرضه H; Nickel complexes; H-bonds; Triazolopyrimidines; Leishmania infantum; Leishmania braziliensis; Biological activity;
Supramolecular compounds of fluorocomplexes of p-elements with crown and azacrown ethers: Synthesis, transformations and crystal structures
Keywords: اوراق قرضه H; Fluorocomplex; Crown ether; Azacrown ether; Azamacrocycle; Hydrolytic transformations; Single crystal X-ray diffraction; H-bonds
Synthesis, crystal structure, IR-spectral data and some properties of 3,5-diamino-1,2,4-triazolium tetrafluoroborate and hexafluorosilicate
Keywords: اوراق قرضه H; 3,5-Diamino-1,2,4-triazolium; Tetrafluoroborate; Hexafluorosilicate; H-bonds; Crystal structure;
The optical spectra of fluoride complexes can effectively probe H-bonding interactions in the distal cavity of heme proteins
Keywords: اوراق قرضه H; Resonance Raman; Charge transfer bands; Bacterial hemoglobin; Fluoride complexes; H-bonds
The Trp-cage miniprotein with single-site mutations: Studies of stability and dynamics using molecular dynamics
Keywords: اوراق قرضه H; Trp-cage stability; H-bonds; Hydrophobic interactions; Molecular dynamics; Mutation;
Versatility of cyclodextrins in self-assembly systems of amphiphiles
Keywords: اوراق قرضه H; Surfactants; Cyclodextrins; Self-assembly; H-bonds; Unamphiphilic
Structure of the first dinuclear Ni(II) complex with an azapurine derivative (the anionic form of 4,6-dimethyl-1,2,3-triazolo[4,5-d]pyrimidin-5,7-dione)
Keywords: اوراق قرضه H; Triazolopyrimidines; Nickel; N,N′-dibenzylethylenediamine; Azapurines; H-bonds; Dinuclear
Effect of electrostatic interaction on thermochemical behavior of 12-crown-4 ether in various polar solvents
Keywords: اوراق قرضه H; Enthalpy of solution; Enthalpy of solvation; Electrostatic interaction; H-bonds; 12-Crown-4; Polar solvents
Why thermodynamic properties of normal and heavy water are similar to those of argon-like liquids?
Keywords: اوراق قرضه H; Water; Heavy water; H-bonds; Thermodynamic properties; Intermolecular potential; Triple point;
DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions
Keywords: اوراق قرضه H; H-bonds; Peptide secondary structures; Topological analysis; Frequency shifts
Modified thiourea used as the ligand for the synthesis of novel coordination polymers: Based on its significant conformational behavior and H-bonding preference
Keywords: اوراق قرضه H; Coordination polymer; Rod SBU; Surface SBU; H-bonds; 5-connected; 4664 topology
Atomic evidence that modification of H-bonds established with amino acids critical for host-cell binding induces sterile immunity against malaria
Keywords: اوراق قرضه H; Malaria; Plasmodium falciparum; Sterile immunity; H-bonds
Theoretical study on the ring stretching modes of pyridine in the hydrogen bonding with H2O, HCONH2 and CH3COOH
Keywords: اوراق قرضه H; H-bonds; Pyridine; Blue shifts; Ring stretching modes; Hyperconjugations;
Density functional study of the nitrosamine-formic acid and nitrosamine-formamide interactions
Keywords: اوراق قرضه H; H-bonds; DFT; Nitrosamine; Formic acid; Formamide;
Syntheses, structures and properties of homo- and heterobimetallic complexes of the type [Zn(tren)NCS]2[M(NCS)4] [tren = tris(2-aminoethyl)amine; M = Zn, Cu]
Keywords: اوراق قرضه H; Tetrathiocyanatometallate; Zinc(II)/Copper(II); Tris(2-aminoethyl)amine; H-bonds; Superstructures
Synergistic effects in the designs of neuraminidase ligands: Analysis from docking and molecular dynamics studies
Keywords: اوراق قرضه H; Neuraminidase ligands; Fragment approach; Synergistic effects; H-bonds; Rational drug designs
Cu/Cd heterometallic solids with the [Cu(Hdea)(H2dea)]22+ motif (H2dea = diethanolamine): Exchange interactions through hydrogen bonding
Keywords: اوراق قرضه H; Hybrid composites; Crystal structure; Perhalocadmate; H-bonds; EPR; Exchange interactions
14N NQR in the tetrazole family
Keywords: اوراق قرضه H; TZ; 1H-tetrazole; ATZ; 5-aminotetrazole; ATZH; 5-aminotetrazole monohydrate; NQR; nuclear quadrupole resonance; NMR; nuclear magnetic resonance; EPR; electron paramagnetic resonance; FT-IR; Fourier transform infra-red spectroscopy; EFG; electric field gra
N,N-Dimethylethylenediamine in direct and direct template syntheses of Cu(II)/Cr(III) complexes
Keywords: اوراق قرضه H; The Reinecke’s anion; Copper(II); H-bonds; Schiff-base ligand
Quantum chemical calculations in the structural analysis of phloretin
Keywords: اوراق قرضه H; Phloretin; Cluster analysis; H-bonds; Conformational analysis; Dendrogram
Supramolecular diversity and magnetic properties of novel heterometallic Cu(II)/Cr(III) complexes prepared from copper powder, Reineckes salt and ethylenediamine
Keywords: اوراق قرضه H; Heterometallic complexes; Reineckes anion; Copper(II); H-bonds;