Structure elucidation of the novel synthetic cannabinoid Cumyl-tosyl-indazole-3-carboxamide (Cumyl-TsINACA) found in illicit products in Germany.
Sign Up to like & getrecommendations! Published in 2022 at "Drug testing and analysis"
DOI: 10.1002/dta.3261
Abstract: New chemical moieties continue to appear in synthetic cannabimimetics (SC), the largest group of new psychoactive substances in the EU. We describe the first comprehensive characterisation of the novel SC Cumyl-TsINACA (N-(2-phenylpropan-2-yl)-1-tosyl-1H-indazole-3-carboxamide) from seized case… read more here.
Keywords: indazole carboxamide; tosyl indazole; structure elucidation; cumyl ... See more keywords
The ADEBAR project - European and international provision of analytical data from structure elucidation and analytical characterization of NPS.
Sign Up to like & getrecommendations! Published in 2022 at "Drug testing and analysis"
DOI: 10.1002/dta.3280
Abstract: Novel substances for which none or limited analytical data are available constitute a challenge for police and customs forensic laboratories. The time-consuming process of structural elucidation and acquisition of analytical data has been centralized in… read more here.
Keywords: structure elucidation; project; adebar project; analytical data ... See more keywords
Perspectives in the application of residual dipolar couplings in the structure elucidation of weakly aligned small molecules
Sign Up to like & getrecommendations! Published in 2017 at "Magnetic Resonance in Chemistry"
DOI: 10.1002/mrc.4543
Abstract: This perspective article aims to review the general methodology in the application of residual dipolar couplings (RDCs) in the structure elucidation of small molecules and give the author's view on challenges for future applications. Recent… read more here.
Keywords: residual dipolar; structure elucidation; small molecules; application residual ... See more keywords
Structure elucidation of a new triterpene from Rhus trichocarpa roots
Sign Up to like & getrecommendations! Published in 2017 at "Magnetic Resonance in Chemistry"
DOI: 10.1002/mrc.4574
Abstract: Rhus trichocarpa Miq. (Anacardiaceae) is an edible and medicinal plant distributed throughout China, Japan, and Korea. The sap of R. trichocarpa has traditionally been used as a cathartic, antirheumatic, sedative, anti-diabetes agent, and tonic. Additionally,… read more here.
Keywords: new triterpene; structure elucidation; trichocarpa roots; elucidation new ... See more keywords
Degradation Pathway Proposal, Structure Elucidation, and In Silico Toxicity Prediction of Dapagliflozin Propane Diol Hydrolytic Degradation Products
Sign Up to like & getrecommendations! Published in 2020 at "Chromatographia"
DOI: 10.1007/s10337-020-03938-4
Abstract: Dapagliflozin (DAP) is therapeutic agent for diabetes mellitus type II patients with insufficient glycemic control by exercise and diet. Stability-indicating LC–MS method was developed and validated on C8 column and method was able to separate… read more here.
Keywords: degradation; structure elucidation; hydrolytic degradation; silico toxicity ... See more keywords
Profiling, isolation and structure elucidation of specialized acylsucrose metabolites accumulating in trichomes of Petunia species
Sign Up to like & getrecommendations! Published in 2017 at "Metabolomics"
DOI: 10.1007/s11306-017-1224-9
Abstract: IntroductionAcylsugar specialized metabolites function as defenses against insect herbivores, and are the most abundant specialized metabolites produced in Solanaceous trichomes. Metabolite profiling provides the foundation for determining the genetic basis of specialized metabolism and its… read more here.
Keywords: specialized metabolites; structure elucidation; elucidation specialized; profiling isolation ... See more keywords
Structure elucidation of small organic molecules by contemporary computational chemistry methods.
Sign Up to like & getrecommendations! Published in 2020 at "Archives of pharmacal research"
DOI: 10.1007/s12272-020-01277-4
Abstract: Small molecules derived from natural sources such as plants, fungi, bacteria, or synthetic materials have served as promising drug candidates for a long time. Unambiguous determination of chemical structures of these natural/synthetic molecules is a… read more here.
Keywords: elucidation small; computational chemistry; contemporary computational; structure elucidation ... See more keywords
Structure elucidation and immunomodulatory activity of a β-glucan derived from the fruiting bodies of Amillariella mellea.
Sign Up to like & getrecommendations! Published in 2018 at "Food chemistry"
DOI: 10.1016/j.foodchem.2017.07.154
Abstract: A novel polysaccharide AAMP-A70 (5.6kDa) has been purified from the fruiting bodies of Amillariella mellea. Compositional analysis and 1H and 13C NMR spectra indicate that AAMP-A70 is a branched β-glucan with a main chain that… read more here.
Keywords: fruiting bodies; structure elucidation; amillariella mellea; bodies amillariella ... See more keywords
Structure elucidation and absolute configuration of metabolites from the soil-derived fungus Dictyosporium digitatum using spectroscopic and computational methods.
Sign Up to like & getrecommendations! Published in 2020 at "Phytochemistry"
DOI: 10.1016/j.phytochem.2020.112278
Abstract: Following the discovery of a new class of compounds that inhibit the mucosa-associated lymphoid tissue lymphoma translocation 1 (MALT1) protease in a prior study, further chemical investigation of the Dictyosporium digitatum fungus resulted in the… read more here.
Keywords: configuration; structure elucidation; elucidation absolute; dictyosporium ... See more keywords
Isolation and structure elucidation of siliendines A‒D, new β-carboline alkaloids from Silene seoulensis
Sign Up to like & getrecommendations! Published in 2020 at "Phytochemistry Letters"
DOI: 10.1016/j.phytol.2020.01.010
Abstract: Abstract Four new β-carboline alkaloids, siliendines A–D (1‒4), and four known metabolites (5–8) were isolated from the ethanolic extract of the aerial parts of Silene seoulensis using various chromatographic methods. The structures of the new… read more here.
Keywords: structure elucidation; silene seoulensis; new carboline; carboline alkaloids ... See more keywords
Chaperone-assisted structure elucidation with DARPins.
Sign Up to like & getrecommendations! Published in 2020 at "Current opinion in structural biology"
DOI: 10.1016/j.sbi.2019.12.009
Abstract: Designed ankyrin repeat proteins (DARPins) are artificial binding proteins that have found many uses in therapy, diagnostics and biochemical research. They substantially extend the scope of antibody-derived binders. Their high affinity and specificity, rigidity, extended… read more here.
Keywords: structural biology; chaperone assisted; structure elucidation; assisted structure ... See more keywords