Results 11 to 20 of about 30,314 (226)

Pseudo-resonance structures in chiral alcohols and amines and their possible aggregation states

Frontiers in Chemistry, 2022
We now report that some chiral compounds, like alcohols, which are not sterically hindered atropisomers nor epimer mixtures, exhibit two sets of simultaneous NMR spectra in CDCl3.
Huajie Zhu, Huajie Zhu, Shengnan Li, Shengnan Li, Yunjing Jia, Juxing Jiang, Feiliu Hu, Longfei Li, Fei Cao, Xiaoke Wang, Shenhui Li, Guanghui Ouyang, Gengfang Tian, Ke Gong, Guangjin Hou, Wei He, Zheng Zhao, Charles U. Pittman, Feng Deng, Minghua Liu, Kai Sun, Ben Zhong Tang   +21 more
doaj   +1 more source

Mushroom and cereal β-D-glucan solid state NMR and FTIR datasets

Data in Brief, 2022
In the associated published article Kremmyda et al. (2021), the C1 region of the NMR spectra were examined in detail, as the C1 carbon was common to the crucial linkages in the glucan, and the most clearly separated region in the spectra.
Alexandra Kremmyda, William MacNaughtan, Dimitris Arapoglou, Christos Eliopoulos, Maria Metafa, Stephen E. Harding, Cleanthes Israilides   +6 more
doaj   +1 more source

Analysis and information content of quadrupolar NMR in glasses: 25Mg NMR in vitreous MgSiO3 and CaMgSi2O6

Journal of Magnetic Resonance Open, 2022
The static wideline and high-resolution magic angle spinning (MAS) 25Mg NMR lineshapes measured for isotopically enriched enstatite and diopside glasses indicate a wide distribution of the electric-field gradient (EFG) components at the 25Mg position ...
Marcos de Oliveira, Jr., Hugo Damasceno, Philip S. Salmon, Hellmut Eckert   +3 more
doaj   +1 more source

An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts

Journal of Cheminformatics, 2022
The majority of primary and secondary metabolites in nature have yet to be identified, representing a major challenge for metabolomics studies that currently require reference libraries from analyses of authentic compounds.
Yasemin Yesiltepe, Niranjan Govind, Thomas O. Metz, Ryan S. Renslow   +3 more
doaj   +1 more source

Photodegradation study of the fenvalerate insecticide by 1H NMR, 13C NMR, and GC-MS and structural elucidation of its transformation products

Macedonian Journal of Chemistry and Chemical Engineering, 2022
The photolysis of fenvalerate, a pyrethroid insecticide, was studied in acetonitrile by 1H nuclear magnetic resonance (NMR) and 13C NMR to identify the site of bond cleavage and gas chromatography-mass spectrometry (GC-MS) to establish the chemical ...
Diène Diégane Thiaré, Pape Abdoulaye Diaw, Olivier Maurice Aly Mbaye, Diegane Sarr, Mame Diabou Gaye-Seye, Steven Ruellan, Philippe Giamarchi, François Delattre, Atanasse Coly, Jean-Jacques Aaron   +9 more
doaj   +1 more source

Structure conformational, molecular docking and computational investigation of Methyl Linoleate

Chemical Physics Impact, 2023
AB S T R A C T: The Methyl Linoleate, also called polyunsaturated fatty acid, is a natural drug synthesis from 100% medicinal plant of L.AegleMarmelos. The title molecules structure conformed through GC-MS results.
C. Prabhu, P. Rajesh, E. Dhanalakshmi, T. Gnanasambandan, M. Priyadharshini   +4 more
doaj   +1 more source

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes

Metabolites, 2016
Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the ...
Eisuke Chikayama, Ryo Yamashina, Keiko Komatsu, Yuuri Tsuboi, Kenji Sakata, Jun Kikuchi, Yasuyo Sekiyama   +6 more
doaj   +1 more source

A Comprehensive Database for DNA Adductomics

Frontiers in Chemistry, 2022
The exposure of human DNA to genotoxic compounds induces the formation of covalent DNA adducts, which may contribute to the initiation of carcinogenesis.
Giorgia La Barbera, Katrine Dalmo Nommesen, Catalina Cuparencu, Jan Stanstrup, Lars Ove Dragsted   +4 more
doaj   +1 more source

Saponification Value of Fats and Oils as Determined from ¹H-NMR Data: The Case of Dairy Fats

Foods, 2022
The saponification value of fats and oils is one of the most common quality indices, reflecting the mean molecular weight of the constituting triacylglycerols.
Mihaela Ivanova, Anamaria Hanganu, Raluca Dumitriu, Mihaela Tociu, Galin Ivanov, Cristina Stavarache, Liliana Popescu, Aliona Ghendov-Mosanu, Rodica Sturza, Calin Deleanu, Nicoleta-Aurelia Chira   +10 more
doaj   +1 more source

An application of nuclear magnetic resonance spectroscopy to study faecal canine metabolome

Italian Journal of Animal Science, 2021
Metabolomics provides a description of the phenotype of an organism and complementary biochemical information to genomics and proteomics. The purpose of this research was to depict the metabolite profile of faecal samples from dogs fed three different ...
Elisa Scarsella, Jacopo Segato, Daniele Zuccaccia, Kelly S. Swanson, Bruno Stefanon   +4 more
doaj   +1 more source