Keywords: Hydroxyapatite; Nanocomposite; Dye removal; Adsorption; SSNMR;
مقالات ISI (ترجمه نشده)
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Keywords: CAP; cationic antimicrobial peptide; TM; transmembrane; PPI; protein-protein interaction; Fmoc; Fluorenylmethyloxycarbonyl chloride; DMF; dimethylformamide; DCM; dichloromethane; DIEA; diisopropylethylamine; HATU; 1-[bis(dimethylamino)methylene]-1H-1,2,3-
Keywords: Praziquantel; Mechanochemistry; Solid-state reactions; Polymorphism; Solubility; Bioactivity; Crystal structure solution; DFT-D calculations; Neglected tropical diseases; ASU; Asymmetric Unit; ATR-FTIR; Attenuated Total Reflectance Fourier Transform Infra
Second harmonic generation microscopy as a tool for the early detection of crystallization in spray dried dispersions
Keywords: ASD; amorphous solid dispersion; SHG; second harmonic generation; SONICC; second order nonlinear optical imaging of chiral crystals; EZT; ezetimibe; FTM; flutamide; XRPD; X-ray powder diffraction; ssNMR; solid-state NMR; Second harmonic generation; Second
Keywords: WHO; World Health Organization; API; active pharmaceutical ingredient; FDA; US Food and Drug Administration; RH; relative humidity; HCl; hydrochloride; PPI; proton pump inhibitor; NaCMC; croscarmellose sodium; ssNMR; solid state nuclear magnetic resonance
Keywords: AD; Alzheimer's disease; PD; Parkinson's disease; ssNMR; solid-state NMR; α-syn; α-synuclein; β2m; β2-microglobulin; apoA-I; apolipoprotein A-I; polyQ; polyglutamine; IDP; intrinsically disordered protein; htt; huntingtin; MD; molecular dynamics; MHC
Keywords: Phosphocholine; 2H solid-state NMR; Neuronal calcium sensor protein; Calcium-myristoyl switch; Lipid unsaturation; DDPC; 1,2-didocosahexaenoyl-sn-glycero-3-phosphocholine; DHP; 1,6-diphenyl-1,3,5-hexatriene; DMPC; 1,2-dimyristoyl-sn-glycero-3-phosphocholi
Keywords: Omeprazole; Amoxicillin; Drugs interactions; Disordered phases; DFT; QTAIM; NBO; FTIR; ssNMR
Keywords: AMA; amantadine; BFM; bond fluctuation method; BST-2; bone marrow stromal cell antigen 2; CD; circular dichroism; CGMD; coarse-grained molecular dynamics; ClyA; cytolysin A; DHPC; dihexanoylphosphocholine; DPC; dodecylphosphocholine; E. coli; Escherichia
Keywords: Resin acids; Lipid; Toxicity; Neutron reflectometry; ssNMR; DPPC;
Keywords: Lipopolysaccharide; LPS; Antimicrobial peptides; Endotoxin; Monolayer; Bilayer; Neutron reflectivity; ssNMR; Air/liquid interface;
Keywords: CD4; Cluster determinant 4; CCP; Cell-penetrating peptide; CCR5; Human chemokine receptor 5; CXCR4; C-X-C chemokine receptor type 4; FP; Fusion peptide; HN; Hemagglutinin neuraminidase; HETCOR; Heteronuclear correlation experiment; DMPC; 1,2-dimyristoyl-s
Keywords: Brown coal; SSNMR; Proton; Functional group; Pyrolysis;
Keywords: Aβ; amyloid β peptide; AFM; atomic force microscopy; CD; circular dichroism; CR; Congo red; FTIR; Fourier transform infrared; SDSL-EPR; site-directed spin labeling coupled to electron paramagnetic resonance; SSNMR; solid-state nuclear magnetic resonance
Does a methionine-to-norleucine substitution in PGLa influence peptide-membrane interactions?
Keywords: MAP; membrane active peptide; AMP; antimicrobial peptide; DMPC; 1,2-dimyristoyl-sn-glycero-3-phosphocholine; DPoPE; 1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine; PB; phosphate buffer (NaCl-free); TFE; 2,2,2-trifluoroethanol; PGLa; peptidyl-glycyl-l
The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations
Keywords: Fosfomycin; Phosphomycin; NMR; SSNMR; DFT; GIAO;
Solid-State NMR of highly 13C-enriched cholesterol in lipid bilayers
Keywords: Chol; cholesterol; MAS; magic angle spinning; MD; molecular dynamics; SSNMR; solid-state nuclear magnetic resonance; CTUC COSY; constant-time uniform-sign cross-peak correlation spectroscopy; ALT; average Liouvillian theory; POPC; 1-palmitoyl-2-oleoyl-sn-
Decontamination of Chemical Warfare Agents by Zn2+ and Ge4+ co-doped TiO2 nanocrystals at sub-zero temperatures: A solid-state NMR and GC study
Keywords: Chemical Warfare Agents; Co-doped; Titanium dioxide; Decontamination; Sub-zero temperature; SSNMR; GC;
Solid state NMR studies of silicalite-1 obtained under the non-classic growth pathways
Keywords: ZSM-5; SSNMR; Crystallization mechanism of zeolite;
Hidden motions and motion-induced invisibility: Dynamics-based spectral editing in solid-state NMR
Keywords: 1D; one-dimensional; 2D; two-dimensional; 3D; three-dimensional; CP; cross-polarization; CSA; chemical shift anisotropy; DARR; dipolar assisted rotational resonance; Dec; decoupling; DIPSHIFT; dipolar chemical shift correlation; DYSE; dynamics-based spect
IAPP in type II diabetes: Basic research on structure, molecular interactions, and disease mechanisms suggests potential intervention strategies
Keywords: 2DIR; two-dimensional infra-red spectroscopy; AFM; atomic force microscopy; AGE; advanced glycation end; CD; circular dichroism; CGRP; calcitonin gene-related peptides; DMSO; Dimethyl Sulfoxide; EGCG; epigallocatechin gallate; EPR; electron paramagnetic r
Structure determination of supra-molecular assemblies by solid-state NMR: Practical considerations
Keywords: 1D, 2D, 3D, 4D; one-dimensional, two-dimensional, three-dimensional, four-dimensional; AM-XiX; Amplitude-Modulated XiX decoupling; AQ; acquisition time; BASE RFDR; BAnd SElective Radio Frequency Dipolar Recoupling; BMRB; Biological Magnetic Resonance Data
Hydration of MgO/SiO2 and Portland cement mixtures: A structural investigation of the hydrated phases by means of X-ray diffraction and solid state NMR spectroscopy
Keywords: M-S-H; magnesium silicate hydrate; C-S-H; calcium silicate hydrate; w/s; water to solid ratio; M; MgO; S; SiO2; C; Portland cement; SSNMR; solid state Nuclear Magnetic Resonance; DTA; differential thermal analysis; DE; direct excitation; MAS; magic angle
Recent advances in biophysical studies of rhodopsins - Oligomerization, folding, and structure
Keywords: AFM; Atomic Force Microscopy; apolipoprotein A-I; apolipoprotein A1; ASR; Anabaena sensory rhodopsin; BN-PAGE; blue native - polyacrylamide gel electrophoresis; BPR; blue-absorbing proteorhodopsin; BO; bacterioopsin; BR; bacteriorhodopsin; CD; Circular Di
Pharmaceutical properties of two ethenzamide-gentisic acid cocrystal polymorphs: Drug release profiles, spectroscopic studies and theoretical calculations
Keywords: Cocrystals; ssNMR; Polymorphs; Ethenzamide; Stability studies; Solubility;
Tracking the amyloidogenic core of IAPP amyloid fibrils: Insights from micro-Raman spectroscopy
Keywords: hIAPP; human IAPP; rIAPP; rat IAPP; APRs; aggregation-prone regions; STEM; scanning-transmission electron microscopy; ssNMR; solid-state Nuclear Magnetic Resonance; RMSF; root mean square fluctuation; ASA; accessible surface area; TERS; Tip-Enhanced Raman
Molecular Origins of the Compatibility between Glycosaminoglycans and Aβ40 Amyloid Fibrils
Keywords: AD; Alzheimer's disease; GAGs; glycosaminoglycans; Aβ40; A-beta 40-residue peptide; Aβ42; A-beta 42-residue peptide; SSNMR; solid-state NMR; LMWH; low-molecular-weight heparin; HS; heparan sulfate; WT; wild-type; NS; N-sulfate; 6-OS; 6-O-sulfate; 2-OS;
Modern ssNMR for heterogeneous catalysis
Keywords: Solid state nuclear magnetic resonance; ssNMR; Heterogeneous catalysts; Challenging nuclei; NMR crystallography; Dynamic nuclear polarization surface enhanced NMR spectroscopy;
Backbone Engineering within a Latent β-Hairpin Structure to Design Inhibitors of Polyglutamine Amyloid Formation
Keywords: CP; cross-polarization; MAS; magic angle spinning; polyQ; polyglutamine; ssNMR; solid-state NMR; MAS-NMR; elongation; nucleation; dock-and-lock; trpzip;
Alkaptonuria: An example of a “fundamental disease”-A rare disease with important lessons for more common disorders
Keywords: AGE; advanced glycation end products; AKU; alkaptonuria; ECM; extracellular matrix; HDMPs; high density mineralised protrusions; HGD; homogentisate 1,2 dioxygenase; HGA; homogentisic acid; OMIM; online Mendelian inheritance in man; OA; osteoarthritis; PG;
Ion distribution in copper exchanged zeolites by using Si-29 spin lattice relaxation analysis
Keywords: Selective catalytic reduction; Catalyst; Si-29; SSNMR; Paramagnetic relaxation enhancement;
Solid-state NMR study of discrete environments of bone mineral nanoparticles using phosphorus-31 relaxation
Keywords: OA; osteoarthritis; OPS; osteoporosis; OPA; osteopenia; ssNMR; solid-state NMR; CAC; crystalline apatite core; AHSL; amorphous hydrated surface layer; MAS; magic angle spinning; Min/matrix; the mineral-to-matrix ratio; CO3/P; carbonate-to-phosphate ratio;
Full-length trimeric influenza virus hemagglutinin II membrane fusion protein and shorter constructs lacking the fusion peptide or transmembrane domain: Hyperthermostability of the full-length protein and the soluble ectodomain and fusion peptide make sig
Keywords: Buffer A; 50Â mM phosphate, 0.5% SRC, 50Â mM sodium phosphate, and 300Â mM NaCl at pH 8.0; Buffer B; 10Â mM Tris-HCl, 0.17% DM, and 1Â mM DTT at pH 7.4; Buffer C; 10Â mM Tris-HCl, 0.10% SRC, and 1Â mM DTT at pH 7.4; CD; circular dichroism; DM; decylma
Catalytic roles of βLys87 in tryptophan synthase: 15N solid state NMR studies
Keywords: PLP; pyridoxal-5â²-phosphate; TS; tryptophan synthase; SSNMR; solid-state nuclear magnetic resonance; MAS; magic-angle-spinning; F9; N-(4â²-trifluoro-methoxybenzenesulfonyl)-2-amino-ethyl phosphate; 2AP; 2-aminophenol; IGP; indole-3-glycerol phosphate;
REDOR solid-state NMR as a probe of the membrane locations of membrane-associated peptides and proteins
Keywords: δ; chemical shift; γ; buildup rate; Ï; REDOR dephasing time; A; buildup extent; Chol; cholesterol; Chol_d6; cholesterol-2,2,3,4,4,6-d6; Chol_d7; cholesterol-25,26,26,26,27,27,27-d7; CP; cross-polarization; d; dipolar coupling; Fmoc; 9-fluorenylmethoxyc
Solid-state NMR studies of Ziegler-Natta and metallocene catalysts
Keywords: Ziegler-Natta; Metallocene; Solid-state NMR; Polymerization; Catalysis; AA; aluminum-reduced and activated; Cpâ; 1,2,3,4,5-pentamethylcyclopentadienyl; CP; cross polarization; Cp; cyclopentadienyl; Cpâ²; substituted cyclopentadienyl; CQ; quadrupolar
Improving furosemide polymorphs properties through supramolecular complexes of β-cyclodextrin
Keywords: Furosemide; β-Cyclodextrin; Complexation; Polymorphism; ssNMR
Low level drug product API form analysis – Avalide tablet NIR quantitative method development and robustness challenges
Keywords: Irbesartan; Polymorph; Spectroscopy; ssNMR; PLS
The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations
Keywords: Pyrazolium salts; SSNMR; CPMAS; DFT-D calculations; Quantum Espresso
Time dependent water uptake in Cu3(btc)2 MOF: Identification of different water adsorption states by 1H MAS NMR
Keywords: Cu3(btc)2 MOF; Cu2+ interaction; Water sites; Fast exchange; SSNMR
Simultaneous acquisition of homonuclear and heteronuclear long-distance contacts with time-shared third spin assisted recoupling
Keywords: MAS; SSNMR; TSAR; PAR; PAIN-CP; Recoupling; Time-share; Long distance; Proteins; Structure;
Solid-state NMR analysis of steroidal conformation of 17α- and 17β-estradiol in the absence and presence of lipid environment
Keywords: SSNMR; Estradiol; Steroidal ring conformation; Chemical shifts; Lipid
Elucidating the chemical structure of pyrogenic organic matter by combining magnetic resonance, mid-infrared spectroscopy and mass spectrometry
Keywords: CPMAS; cross polarization magic-angle spinning; DPMAS; direct polarization magic-angle spinning; DRIFT; diffuse reflectance Fourier transform infrared spectroscopy; EPR; electron paramagnetic resonance; IRMS; isotope ratio mass spectrometer; ssNMR; solid
Nanoporous organic polymer networks
Keywords: BCMA; bis(chloromethyl)anthracene; BCMBP; bis(chloromethyl)biphenyl; BET; Brunauer-Emmett-Teller; bnn; α-boron nitride; CMP; conjugated microporous polymers; COF; covalent organic framework; DCX; dichloroxylene; EOF; element organic framework; NL-DFT
Conformational analysis of steroid hormone molecules in the lipid environment – A solid-state NMR approach
Keywords: SSNMR; DHEA; Conformation; Chemical shifts; Lipid
Frequency-selective heteronuclear dephasing and selective carbonyl labeling to deconvolute crowded spectra of membrane proteins by magic angle spinning NMR
Keywords: SSNMR; solid-state NMR; MAS; magic angle spinning; PLN; phospholamban; FDR; frequency-selective dipolar recoupling; DARR; dipolar assisted rotational resonance; Solid-state NMR; Membrane proteins; Magic angle spinning; Phospholamban; REDOR; Frequency-sele
Geometry of kinked protein helices from NMR data
Keywords: Alpha helix; Frenet frame; Quaternion; Ramachandran diagram; SSNMR; Membrane protein; Protein structure; PISEMA; PISA wheel; Orientational restraints; Torsion angle; Chemical shift; Dipolar coupling; Eyrings formula; Primary 92E10; Secondary 51P99;
A study of the membrane association and regulatory effect of the phospholemman cytoplasmic domain
Keywords: PLM; phospholemman (FXYD1); PLM38-72; a peptide representing residues 38-72 of phospholemman; Mat-8 (FXYD3); mammary tumor protein; CHIF (FXYD4); corticosteroid induced factor; REDOR; rotational-echo double-resonance; SSNMR; solid-state NMR; ITC; isot
Solution- and solid-state NMR studies of GPCRs and their ligands
Keywords: β2AR; β2 adrenergic receptor; CP; cross polarisation; CXCR1; chemokine receptor; DAGK; diacylglycerol kinase; GPCR; G protein-coupled receptor; MAS; magic angle spinning; MBP; maltose binding protein; NOE; nuclear overhauser effect; NTS1; neurotensin re
High-resolution solid-state NMR structure of Alanyl-Prolyl-Glycine
Keywords: SSNMR; Structural determination;