Keywords: 1H و 13C NMR; Characterization; Benzimidazole; FT-IR; 1H and 13C NMR; DFT calculations;
مقالات ISI 1H و 13C NMR (ترجمه نشده)
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Keywords: 1H و 13C NMR; DMIB; FT–IR; 1H and 13C NMR; UV–Vis; Molecular docking
Keywords: 1H و 13C NMR; Diffusion coefficient; Fructose; Potassium hydrogen phosphate; Solutions; Transport properties; 1H and 13C NMR
Synthesis, growth and characterization of a new NLO active chalcone derivative - 4-chloro-N-{3-[(2E)-3-(methoxyphenyl)prop-2-Enoyl]phenyl}benzamide monohydrate
Keywords: 1H و 13C NMR; Chalcone; Crystal growth; Single crystal XRD; 1H and 13C NMR; TG/DSC; NLO;
Crystal structure, spectroscopic (FT-IR, 1H and 13C NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate
Keywords: 1H و 13C NMR; Thioxo-1,6-dihydropyrimidine; Multicomponent reaction; DFT; IR; 1H and 13C NMR; NLO;
Synthesis, X-ray structure, FT-IR, NMR (13C/1H), UV-Vis spectroscopy, TG/DTA study and DFT calculations on 2-(benzo[d]thiazol-2-ylthio)-1-((1s, 3s)-3-mesityl-3-methylcyclobutyl) ethan-1-one
Keywords: 1H و 13C NMR; Benzo[d]thiazol; X-ray; FT-IR; 1H and 13C NMR; UV-Vis; DFT calculations; TG/DTA;
Crystal structure of two natural polyprenylated benzophenones from the Brazilian Cerrado, including a new natural product
Keywords: 1H و 13C NMR; Natural products; Single-crystal structure; 1H and 13C NMR; ESI(+)-MS/MS; Benzophenone;
Beckmann rearrangement within the ring C of oleanolic acid lactone: Synthesis, structural study and reaction mechanism analysis
Keywords: 1H و 13C NMR; Oleanane triterpenoids; 1H and 13C NMR; IR spectroscopy; X-ray analysis; Beckmann rearrangement; Triterpene lactam; Triterpene nitrile; 1,2-Rearrangement; Triterpenoid ring D contraction;
Sudan dyes in adulterated saffron (Crocus sativus L.): Identification and quantification by 1H NMR
Keywords: 1H و 13C NMR; Saffron; Quality control; Sudan dyes; 1H and 13C NMR; qHNMR; Adulteration; Sudan I (PubChem CID: 5858445); Sudan II (PubChem CID: 5354447); Sudan III (PubChem CID: 5379348); Sudan IV (PubChem CID: 5876571); Chloroform-d (PubChem CID: 71583);
Quantum mechanical and spectroscopic (FT-IR, FT-Raman,1H,13C NMR, UV-Vis) studies, NBO, NLO, HOMO, LUMO and Fukui function analysis of 5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione by DFT studies
Keywords: 1H و 13C NMR; DFT; FTIR; FT-Raman; 1H and 13C NMR; UV-Vis; Fukui function;
Effect of pH in the structure and mass transport by diffusion of theophylline
Keywords: 1H و 13C NMR; Diffusion coefficient; Theophylline; Taylor dispersion; Drug transport; Ionization; 1H and 13C NMR;
Phytochemical investigations and evaluation of antidiabetic potential of Prunus dulcis nuts
Keywords: 1H و 13C NMR; Prunus dulcis nuts; Column chromatography; LC-MS/MS; 1H and 13C NMR; Antidiabetic activity; Dihydroquercetin glucoside (PubChem CID 71587141); Eriodictyol glucoside (PubChem CID 13254473); Kaempferol rutinoside (PubChem CID 20055286); Isorhamnetin rutinos
Synthesis, crystal structure analysis, spectral IR, NMR UV–Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of X-ray diffractions studies along with DFT calculations
Keywords: 1H و 13C NMR; N-Carboxamide; IR; 1H and 13C NMR; UV–Vis spectrum; NBO; NLO
Synthesis, spectroscopic characterization and DFT calculations of N-Methyl-2-(2ʹ-hydroxyphenyl)benzimidazole derivatives
Keywords: 1H و 13C NMR; Benzimidazole derivatives; X-ray diffraction; FT-IR; 1H and 13C NMR; UV–Vis; DFT
Semiempirical studies, spectral analysis, in vitro antibacterial and DNA degradation studies of heterocyclic thiosemicarbazone ligand and its metal complexes
Keywords: 1H و 13C NMR; Thiosemicarbazone complexes; 1H and 13C NMR; Thermal analysis; Theoretical studies; DOS calculations; DNA degradation;
Development of a stability-indicating HPLC method of Etifoxine with characterization of degradation products by LC-MS/TOF, 1H and 13C NMR
Keywords: 1H و 13C NMR; HPLC; Etifoxine; Stress degradation; LC-MS/TOF; 1H and 13C NMR; Validation;
Growth, spectroscopy properties and DFT based PCM calculations of guanidinium chlorochromate
Keywords: 1H و 13C NMR; Guanidinium chlorochromate; Crystal growth; XRD; 1H and 13C NMR; PCM calculations; Solvent effect
Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity
Keywords: 1H و 13C NMR; Calcium(II) and cadmium(II) complexes; Cytotoxicity; Chelating ligands; X-ray; 1H and 13C NMR;
Synthesis, characterization, optical band gap, in vitro antimicrobial activity and DNA cleavage studies of some metal complexes of pyridyl thiosemicarbazone
Keywords: 1H و 13C NMR; Thiosemicarbazone complexes; 1H and 13C NMR; Thermal analysis; Optical band gap; Antibacterial activity; DNA degradation
Structural, spectral analysis and DNA studies of heterocyclic thiosemicarbazone ligand and its Cr(III), Fe(III), Co(II) Hg(II), and U(VI) complexes
Keywords: 1H و 13C NMR; Thiosemicarbazone complexes; 1H and 13C NMR; Thermal analysis; DOS calculations; DNA degradation
1H and 13C NMR spectra of condensed benzimidazole and imidazobenzodiazepines
Keywords: 1H و 13C NMR; Benzimidazole; Imidazobenzodiazepines; 1H and 13C NMR; 1H–13C correlation
Micellar solubilization of octan-1-ol in aqueous solutions of SDBS and TTAB
Keywords: 1H و 13C NMR; Sodium dodecylbenzene sulfonate; Tetradecyltrimethylammonium bromide; Partial molar volume; 1H and 13C NMR; FTIR;
Co(II), Cd(II), Hg(II) and U(VI)O2 complexes of o-hydroxyacetophenone[N-(3-hydroxy-2-naphthoyl)] hydrazone: Physicochemical study, thermal studies and antimicrobial activity
Keywords: 1H و 13C NMR; Hydrazone complexes; 1H and 13C NMR; Thermal analysis; Antibacterial and antifungal activity
Co(II), Cu(II), Cd(II), Fe(III) and U(VI) complexes containing a NSNO donor ligand: Synthesis, characterization, optical band gap, in vitro antimicrobial and DNA cleavage studies
Keywords: 1H و 13C NMR; Thiosemicarbazone complexes; 1H and 13C NMR; Thermal analysis; Optical band gap; Antibacterial activity; DNA degradation
Quantum chemical calculations, experimental investigations and DNA studies on (E)-2-((3-hydroxynaphthalen-2-yl)methylene)-N-(pyridin-2-yl)hydrazinecarbothioamide and its Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes
Keywords: 1H و 13C NMR; Thiosemicarbazone complexes; 1H and 13C NMR; Thermal analysis; Molecular modelling; DNA degradation
NMR study on residual lignins isolated from chemical pulps of beech wood by enzymatic hydrolysis
Keywords: 1H و 13C NMR; Kraft/ASAM pulpings; Residual lignin; 1H and 13C NMR; β-O-4 linkages; Hydroxyl groups
Bivalent transition metal complexes of o-hydroxyacetophenone [N-(3-hydroxy-2-naphthoyl)] hydrazone: Spectroscopic, antibacterial, antifungal activity and thermogravimetric studies
Keywords: 1H و 13C NMR; Hydrazone complexes; 1H and 13C NMR; ESR; Thermal analysis; Antimicrobial activity
Spectral, structural elucidation and coordination abilities of Co(II) and Mn(II) coordination entities of 2,6,11,15-tetraoxa-9,17-diaza-1,7,10,16-(1,2)-tetrabenzenacyclooctadecaphan-8,17-diene
Keywords: 1H و 13C NMR; Coordination entities (CEs); 1H and 13C NMR; MS; EPR; Antimicrobial; Molecular modeling;
Production of monoclonal antibodies against hop-derived (Humulus lupulus L.) prenylflavonoids and the development of immunoassays
Keywords: 1H و 13C NMR; X; xanthohumol; IX; isoxanthohumol; 8-PN; 8-prenylnaringenin; EQ; equol; DAID; daidzein; GEN; genistein; COUM; coumestrol; END; enterodiol; ENL; enterolactone; E2; 17β-estradiol; BSA; bovine serum albumin; ELISA; enzyme-linked immunosorbent assay; ABTS;
Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory
Keywords: 1H و 13C NMR; Nicotinamide N-oxide; DFT; FT-IR; FT-Raman; 1H and 13C NMR; UV spectra
Biliary bile acids in birds of the Cotingidae family: Taurine-conjugated (24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-27-oic acid and two epimers (25R and 25S) of 3α,7α-dihydroxy-5β-cholestan-27-oic acid
Keywords: 1H و 13C NMR; C27 bile acids; Taurine conjugate; 3α,7α-Dihydroxy-5β-cholestan-27-oic acid; 3α,7α,24-Trihydroxy-5β-cholestan-27-oic acid; 3α,7α,12α,24-Tetrahydroxy-5β-cholestan-27-oic acid; Bile acid metabolism; 24-Hydroxylation; LC/ESI-MS/MS; 1H and 13C NMR;
Synthesis, characterization and physiochemical information, along with antimicrobial studies of some metal complexes derived from an ON donor semicarbazone ligand
Keywords: 1H و 13C NMR; Benzaldehyde; Semicarbazone; 1H and 13C NMR; EPR studies; Antimicrobial studies;
Investigation of the interaction of gold(III)–alkyldiamine complexes with l-histidine and imidazole ligands by 1H and 13C NMR, and UV spectrophotometry
Keywords: 1H و 13C NMR; en, ethylenediamine; pn, propylenediamine; bn, butylenediamineAu(III)–alkyldiamine complexes; l-histidine; Imidazole; 1H and 13C NMR
1H, 13C NMR and UV spectroscopy studies of gold(III)-tetracyanide complex with l-cysteine, glutathione, captopril, l-methionine and dl-seleno-methionine in aqueous solution
Keywords: 1H و 13C NMR; CySH, l-cysteine; CyS–SCy, l-cystine; Met, methionine; Se–Met, dl-seleno-methionine; Cap, captopril; GSH, glutathioneAu(III)-tetracyanide complexes; Thiols; l-methionine; dl-seleno-methionine; UV–Vis; 1H and 13C NMR
Stereoisomeric 2-butylphenylsulfoxides and their binding modes in the adduct formation with an enantiopure dirhodium tetracarboxylate complex
Keywords: 1H و 13C NMR; Chiral sulfoxides; Dirhodium complex; Conformational analysis; 1H and 13C NMR; Adduct formation; Chiral differentiation;
N-methylcodeinium iodide—Crystal structure and spectroscopic elucidation
Keywords: 1H و 13C NMR; N-methylcodeinium iodide; Crystal structure; UV- and IR-LD spectroscopy; 1H and 13C NMR; Quantum chemical calculations
An expeditious synthesis for γ-carboline analogue 4-aryl-1,3-thiazino[6,5-b]indole derivatives via the trifluoromethanesulfonic acid-promoted isomerization of 3-amidomethylthioindole intermediates to 2-indolyl sulfides
Keywords: 1H و 13C NMR; Thiazino[6,5-b]indole; Isomerization; Trifluoromethanesulfonic acid; Bischler-Napieralski reaction; IR; 1H and 13C NMR;
Anyles of 4-benzoylpyridine – Crystal structure and spectroscopic properties
Keywords: 1H و 13C NMR; Anyles; Crystal; structure; Solid-state linear polarized IR-spectroscopy; UV-, Quantum chemical calculations; 1H and 13C NMR; UV-, ESI MS, TGV and DSC
Inositols and methylinositols in sea buckthorn (Hippophaë rhamnoides) berries
Keywords: 1H و 13C NMR; GC-MS; HPLC; 1H and 13C NMR; Methylinositol; Optical activity measurement; Sea buckthorn berry;
Reactive processing of polymers: Structural characterisation of products by 1H and 13C NMR spectroscopy for glycidyl methacrylate grafting onto EPR in the absence and presence of a reactive comonomer
Keywords: 1H و 13C NMR; 1H and 13C NMR; Structural characterisation; Grafted GMA; EPR;
Organoheterobimetallic cyanodithioimidocarbonates and their I2-doped products: Synthesis, characterization and conducting properties
Keywords: 1H و 13C NMR; Organoheterobimetallic dithio complexes; Semiconductors; 1H and 13C NMR; UV-vis; I2-doping;
Thermal stability and long-chain fatty acid positional distribution on glycerol of argan oil
Keywords: 1H و 13C NMR; Argan oil; Thermal stability; Regiospecificity; High field; 1H and 13C NMR
Spectroscopic and structural elucidation of merocyanine dye 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate: Aggregation processes
Keywords: 1H و 13C NMR; Merocyanine dye; Aggregation; Solid-state IR-LD; UV–vis; ESI–MS; HPLC MS/MS; TGV; DSC; Fluorescence spectra; 1H and 13C NMR; 1H–1H COSY
Dimethylthallium(III) complexes with picolinic acid and its hydroxyl derivatives
Keywords: 1H و 13C NMR; Dimethylthallium(III); Picolinic acid; Hydroxypicolinic acids; X-ray crystal structure; Vibrational spectroscopy; 1H and 13C NMR
High resolution NMR for the direct characterisation of complex polyoxyethylated alcohols (CiEj) mixtures
Keywords: 1H و 13C NMR; 1H and 13C NMR; Polyethoxylated surfactants; CiEj; Ethoxylate distribution; Alkyl chain distribution
Monoepoxy octadecadienoates and monoepoxy octadecatrienoates: 1: NMR spectral characterization
Keywords: 1H و 13C NMR; FAME, fatty acid methyl ester; NPSC, normal-phase short column vacuum chromatography; RT, retention timeEpoxide; Epoxy fatty acids; Polyunsaturated fatty acids; HPLC; 1H and 13C NMR; Mass spectrometry
Reinvestigation of benzothiazoline-2-thione and 2-mercaptobenzothiazole tautomers: Conformational stability, barriers to internal rotation and DFT calculations
Keywords: 1H و 13C NMR; Benzothiazoline-2-thione; Thio-keto and thio-enol tautomerism; Infrared; Raman; 1H and 13C NMR; Barriers to internal rotation; DFT calculations;
Deuterium isotopic effect on 13C NMR chemical shifts of 1-(2-hydroxyphenyl)-3-aryl-1,3-propanediones: Hydrogen bond and substituent effects
Keywords: 1H و 13C NMR; Deuterium isotopic effect; 1H and 13C NMR; 1-(2-Hydroxyphenyl)-3-aryl-1,3-propanedione; Hydrogen bonds; Tautomeric equilibria; Substituent effects
Spectroscopic and structural elucidation of alanyl-containing dipeptides and their hydrogensquarates
Keywords: 1H و 13C NMR; H-Gly-Ala-OH; H-Ala-Ala-OH; IR-LD analysis; 1H and 13C NMR; HPLC-MS/MS; Ab initio calculations; Solid-state; Hydrogensquarates; Vibrational analysis;
The aggregation of the merocyanine dyes, depending of the type of the counterions
Keywords: 1H و 13C NMR; Merocyanine dye; Aggregation; Solid-state IR-LD; UV–vis; ESI-MS; HPLC-MS/MS; TGV; DSC; 1H and 13C NMR; Quantum chemical calculations