Keywords: Vildagliptin; Drug-induced liver injury; Hypersensitivity; Covalent binding; Nucleophilic trapping agents; ALG; alogliptin; ANG; anagliptin; CRP; C-reactive protein; CYP; cytochrome P450; DILI; drug-induced liver injury; DLST; drug-induced lymphocyte stim
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Keywords: iDOSY; (integrated into) diffusion ordered spectroscopy; 2A6; human cytochrome P450 monooxygenase 2A6; BFP; blue fluorescent protein; Bx1; indole synthase from Zea mays; CaMV; cauliflower mosaic virus; CLIP-COSY; clean in-phase correlation spectroscopy; c
Keywords: BASH; band-selective homonuclear; BASHD; band-selective homonuclear decoupling/decoupled; BIP; broadband inversion pulse; BIRD; bilinear rotation decoupling; BSD; band selective decoupled; CLIP/CLAP-HSQC; clean in-phase/anti-phase HSQC; COSY; correlation
Keywords: Pyrazole; Flavones; HMBC; HSQC; COSY; Anti-inflammatory activity; Molecular docking;
Six new dihydro-β-agarofuran sesquiterpenes from the stems and leaves of Monimopetalum chinense and their antimicrobial activities
Keywords: CD; Circular Dichroism; ECD; electrostatic circular dichroism; NMR; Nuclear magnetic resonance; HR; high resolution; ESI; electrospray ionization; MS; mass spectrometry; CC; column chromatography; TLC; thin layer chromatography; UV; ultraviolet spectra; H
Plant hydroperoxide-cleaving enzymes (CYP74 family) function as hemiacetal synthases: Structural proof of hemiacetals by NMR spectroscopy
Keywords: HPL; hydroperoxide lyase; HAS; hemiacetal synthase; AOS; allene oxide synthase; DES; divinyl ether synthase; EAS; epoxyalcohol synthase; 9âHPOD; (9S,10E,12Z)â9âhydroperoxyâ10,12âoctadecadienoic acid; Me; methyl; TMS; trimethylsilyl; COSY; correl
Bioactive phenolics from mango leaves (Mangifera indica L.)
Keywords: DMEM; Dulbecco's modified Eagle's medium; DPPH; 2-diphenyl-1-picrylhydrazyl; FBS; fetal bovine serum; HMBC; 1H-detected heteronuclear multiple-bond coherence spectroscopy; HPLC; high performance liquid chromatography; HR-ESI-MS; high-resolution elec
Potential anti-neuroinflammatory triterpenoids isolated from Chinese acorns (Quercus serrata var. brevipetiolata)
Keywords: Chinese acorns; Quercus serrata var. brevipetiolata; Triterpenoids; NO production; Anti-neuroinflammatory activity; COX-2; cyclooxygenase-2; DEPT; distortionless enhancement by polarization transfer; HMBC; heteronuclear multiple-bond correlation; HPLC; hi
Chemoenzymatic synthesis of sucuronic acid using d-glucurono-6,3-lactone and sucrose as raw materials, and properties of the product
Keywords: Fru; d-fructose; Glc; d-glucose; GlcA; d-glucuronic acid; GlcAM; methyl d-glucuronate; GlcAE; ethyl d-glucuronate; GlcL; d-glucurono-6,3-lactone; GlcNAc; N-acetyl-d-glucosamine; Suc; sucrose; SucA; sucuronic acid; SucAM; methyl sucuronate; SucA·Na; sodiu
Novel nor-monoterpenoid indole alkaloids inhibiting glioma stem cells from fruits of Alstonia scholaris
Keywords: Glioma stem cells; Antitumor activity; Alstonia scholaris; Nor-monoterpenoid indole alkaloids; GSC-3#; GSC-12# and GSC-18#, human glioma stem cells from clinical patients; HMBC; heteronuclear multiple bond correlation; HMQC; heteronuclear single quantum c
Acridone alkaloids from the stem bark of Citrus aurantium display selective cytotoxicity against breast, liver, lung and prostate human carcinoma cells
Keywords: A549; human lung adenocarcinoma; ANOVA; one-way analysis of variance; ATCC; American type culture collection; CDCl3; chloroform; DMSO; dimethyl sulfoxide; ECACC; European collection of authenticated cell cultures; HepG2; human liver adenocarcinoma; HPLC;
NMR studies of the non-haem Fe(II) and 2-oxoglutarate-dependent oxygenases
Keywords: 2OG; 2-Oxoglutarate; BBOX; γ-Butyrobetaine hydroxylase; CODD; C-terminal oxygen-dependent degradation domain; COSY; Correlation spectroscopy; DSBH; Double-stranded β-helix; EFE; Ethylene-forming enzyme; FIH; Factor-inhibiting hypoxia-inducible factor; H
Antioxidant and anti-tumour evaluation of compounds identified from fruit of Amomum tsaoko Crevost et Lemaire
Keywords: Amomum tsaoko Crevost et Lemaire; Antioxidant; Anti-tumour; Diarylheptanoids; Identification; DPPH; 2,2-diphenyl-1-picryl-hydrazil radical; MTT; 3-(4,5-dimethylthiazol-z-yl)-2,5-diphenyl tetrazolium bromide; VC; ascorbic acid; HPLC; high-performance liqui
New 9,19-cycloartenol glycosides isolated from the roots of Cimicifuga simplex and their anti-inflammatory effects
Keywords: 1H-1H COSY; 1H-1H correlation spectroscopy; HSQC; heteronuclear multiple quantum coherence; HMBC; heteronuclear multiple bond connectivity; LPS; lipopolysaccharide; Q-PCR; real-time quantitative PCR detecting system; RAW cell; mouse leukemic monocyte
Structural elucidation of an asparagine-linked oligosaccharide from the hyperthermophilic archaeon, Pyrococcus furiosus
Keywords: ABEE; p-aminobenzoic acid ethyl ester; AglB; archaeal glycosylation B; COSY; correlation spectroscopy; GLC; gas-liquid chromatography; HMBC; heteronuclear multiple-bond correlation; HSQC; heteronuclear single quantum coherence; LLO; lipid-linked oligosa
Kinetics and activation parameters of the reaction of organoarsenic(V) compounds with glutathione
Keywords: GSH; glutathione; PAA; phenylarsonic acid; HNPAA; 4-hydroxy-3-nitrophenylarsonic acid; p-APAA; p-aminophenylarsonic acid; o-APAA; o-aminophenylarsonic acid; MMAA; monomethylarsonic acid; DMAA; dimethylarsinic acid; GSSG; glutathione disulfide; pH*; deuter
Synthesized quercetin derivatives stimulate melanogenesis in B16 melanoma cells by influencing the expression of melanin biosynthesis proteins MITF and p38 MAPK
Keywords: α-MSH; α-melanocyte-stimulating hormone; BSA; bovine serum albumin; cAMP; cyclic adenosine monophosphate; DMEM; Dulbecco's modified Eagle medium; DMF; dimethylformamide; l-DOPA; l-3,4-dihydroxyphenylalanine; ECL; enhanced chemiluminescence; EtOAc; eth
Gum ghatti: A promising polysaccharide for pharmaceutical applications
Keywords: GRAS; generally recognized as safe; 13C NMR; carbon 13 nuclear magnetic resonance; 2D NMR; two-dimensional nuclear magnetic resonance; COSY; correlation spectroscopy; TOCSY; total correlation spectroscopy; HMQC; heteronuclear multiple-quantum correlation;
Structural characterisation of oligosaccharides obtained by Fenton-type radical depolymerisation of dermatan sulfate
Keywords: GAGs; glycosaminoglycans; LMWH; low molecular weight heparin; DS; dermatan sulfate; GalNAc4S; N-acetylgalactosamine; IdoA; iduronic Acid; ÎU; Î4,5 unsaturated uronic acid; HSQC; Heteronuclear single quantum coherence; TOCSY; Total correlation spectrosco
Antioxidant activity of a new phenolic glycoside from Lagenaria siceraria Stand. fruits
Keywords: Lagenaria siceraria; Phenolic glycoside; NMR; HMBC;
Structural data on a bacterial exopolysaccharide produced by a deep-sea Alteromonas macleodii strain
Keywords: EPS; exopolysaccharide; GLC; gas-liquid chromatography; COSY; correlation spectroscopy; TOCSY; total correlation spectroscopy; HMBC; heteronuclear multiple bond correlation; HMQC; heteronuclear multiple bond quantum coherence; amu; atomic mass units; Ba
A novel varanic acid epimer - (24R,25S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-27-oic acid - is a major biliary bile acid in two varanid lizards and the Gila monster
Keywords: VA; varanic acid; RP-TLC; reversed-phase thin layer chromatography; RP-HPLC; reversed-phase high-performance liquid chromatography; ELSD; evaporative light-scattering detector; LC/ESI-MS/MS; liquid chromatography-electrospray ionization-tandem mass spec
Isolation and structure elucidation of secopenitrem D, an indole alkaloid from Penicillium crustosum Thom
Keywords: Secopenitrem D; Indole alkaloid; Penicillium crustosum; Neurotoxicity; APCI; atmospheric pressure chemical ionization; ESI; electrospray ionization; DAD; diode array detector; SPE; solid-phase extraction; COSY; correlation spectroscopy; TOCSY; total corre
6-Methylnitroarachidonate: A novel esterified nitroalkene that potently inhibits platelet aggregation and exerts cGMP-mediated vascular relaxation
Keywords: NO; nitric oxide; AAMet; methylarachidonic acid; AAMetNO2; methylnitroarachidonate; 6-AAMetNO2; 6-methylarachidonate; AA; arachidonic acid; MS; mass spectrometry; IR; infrared radiation; NMR; nuclear magnetic resonance; cGMP; cyclic guanosine monophosphat
Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins
Keywords: RDBGOPDIMUUTST-HSAZJEJNSA-N; Quercetin; Photoaffinity probe; Biotinylated pull down probe; Heat shock proteins; ATP binding proteins; Casein kinase 2; BSA; bovine serum albumin; CaMK2; Ca2+/calmodulin-dependent protein kinase II; CK2; casein kinase II; CO
A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation
Keywords: CN; chondroitin (unsulfated); COSY; correlation spectroscopy; CS; chondriotin sulfate; CSPG; CS proteoglycan; GAG; glycosaminoglycan; GlcA; d-glucuronic acid; GalNAc; N-acetyl-d-galactosamine; GlcNAc; N-acetyl-d-glucosamine; HA; hyaluronan; HMBC; heteronu
Full spectroscopic characterization of an hydrolytically stable and colored Ti(IV)-precursor in solution
Keywords: U.V.-Vis. spectroscopy; IR and Raman spectroscopy; NMR; 1H; 13C; 17O; COSY; ROESY; HSQC; HMBC; PACHA; Ti(IV) aryloxides; 2,6-bis(hydroxymethyl)-p-cresol; Hybrid organic-inorganic materials; PACHA modeling; Statistical thermodynamics;
Detection of 1-O-malylglucose: Pelargonidin 3-O-glucose-6â²â²-O-malyltransferase activity in carnation (Dianthus caryophyllus)
Keywords: Acyltransferase; Anthocyanin; Carnation; Malic acid; Dianthus caryophyllus; AAT; anthocyanin acyltransferase; AMalT; anthocyanin malyltransferase; BAHD; benzylalcohol O-acetyltransferase (BEAT), anthocyanin O-hydroxycinnamoyltransferase (AHCT), anthranila
NMR study on (±)-1-[3-(2-methoxyphenoxy)-2-hydroxypropyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt
Keywords: (±)-1-[3-(2-Methoxyphenoxy)-2-hydroxypropyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt; NMR assignment; DEPT; H-H COSY; HMQC; HMBC;
In vitro metabolism and toxicity assessment of toxin T-514 (Peroxisomicine A1) of Karwinskia humboldtiana in microsomes and primary cultured hepatocytes
Keywords: MTT; methyltiazoltetrazolium; HPLC; high-performance liquid chromatography; TLC; thin-layer chromatography; NMR; nuclear magnetic resonance; UV-Vis; ultraviolet-visible spectrum; MS; mass spectrum; Rt; retention time; HMBC; heteronuclear multiple bond
Structure of the Bordetella trematum LPS O-chain subunit
Keywords: COSY; correlation spectroscopy; TOCSY; total correlation spectroscopy; NOESY; nuclear overhauser enhancement spectroscopy; HMQC; heteronuclear multiple quantum coherence; HMBC; heteronuclear multiple bond connectivity; HSQC; heteronuclear single quantum c
Structural features of an immunoactive acidic arabinogalactan from Centella asiatica
Keywords: Centella asiatica; Immunological activity; Polysaccharide; Arabinogalactan; Pectolyase; Modification; TCA; trichloroacetic acid; LPS; Lipopolysaccharide; ConA; Concanavalin; MTT; 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium brimoide; CMC; 1-Cycloh
Deuterium isotope effects in carbohydrates revisited. Cryoprobe studies of the anomerization and NH to ND deuterium isotope induced 13C NMR chemical shifts of acetamidodeoxy and aminodeoxy sugars
Keywords: Acetamidodeoxy sugars; Anomerization; 13C NMR chemical shifts; COSY; Cryoprobe; Deuterium isotope effects; 1H NMR chemical shifts; HMBC; HSQC; TOCSY;
Characterization of the oxidation products of BO-653 formed during peroxyl radical-mediated oxidation of human plasma
Keywords: AAPH; 2,2â²-azobis(2-amidinopropane) dihydrochloride; BO-653; 4,6-di-tert.-butyl-2,3-dihydro-2,2-dipentyl-5-benzofuranol; CE-OOH; hydroperoxides of cholesteryl esters; ESI-MS; electrospray ionization mass spectrometry; HMBC; heteronuclear multiple-bond c
Rosmarinic acid, a new snake venom phospholipase A2 inhibitor from Cordia verbenacea (Boraginaceae): antiserum action potentiation and molecular interaction
Keywords: Cordia verbenacea; Rosmarinic acid; Anti-inflammatory; Antimyotoxic; Antiophidian; Phospholipase A2 inhibitor; Bothrops jararacussu; Snake venom; Cv-ME; Cordia verbenacea methanolic extract; Cv-RA; rosmarinic acid from Cordia verbenacea; PLA2; phospholipa
Structural studies on 26RFa, a novel human RFamide-related peptide with orexigenic activity
Keywords: CD; circular dichroism; COSY; correlated spectroscopy; Fmoc; fluorenylmethoxycarbonyl; HMBC; heteronuclear multiple-bond correlation; HSQC; heteronuclear single quantum coherence; MALDI/TOF-MS; matrix-assisted laser desorption ionisation time-of-flight ma
Free radical oxidation of coriolic acid (13-(S)-hydroxy-9Z,11E-octadecadienoic Acid)
Keywords: 13-(S)-HODE; (13S,9Z,11E)-13-hydroxy-9,11-octadecadienoic acid; 13-(S)-HPODE; (13S,9Z,11E)-13-hydroperoxy-9,11-octadecadienoic acid; LDL; low-density lipoprotein; PPAR-γ; peroxysome proliferator-activated receptor; BSTFA; bis(trimethylsilyl)-trifluoroace