Structural Characterization and Cytotoxic Activity Evaluation of Ulvan Polysaccharides Extracted from the Green Algae <i>Ulva papenfussii</i> by Vy Ha Nguyen Tran, Maria Dalgaard Mikkelsen, Hai Bang Truong, Hieu Nhu Mai Vo, Thinh Duc Pham, Hang Thi Thuy Cao, Thuan Thi Nguyen, Anne S. Meyer, Thuy Thu Thi Thanh, Tran Thi Thanh Van

“…The structure of ulvan was determined using High-Performance Liquid Chromatography (HPLC), Fourier Transform Infrared Spectroscopy (FT-IR), and Nuclear Magnetic Resonance spectroscopy (NMR) methods. The results showed that the extracted ulvan comprised a mixture of two different structural forms, namely (“A3s”) with the repeating disaccharide [→4)-β-D-GlcA<i>p</i>-(1→4)-α-L-Rha<i>p</i> 3S-(1→]n, and (“B3s”) with the repeating disaccharide [→4)-α-L-IdoA<i>p</i>-(1→4)-α-L-Rha<i>p</i> 3S(1→]n. …”
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Macrophages protect against loss of adipose tissue during cancer cachexia by Merve Erdem, Diana Möckel, Sandra Jumpertz, Cathleen John, Athanassios Fragoulis, Ines Rudolph, Johanna Wulfmeier, Jochen Springer, Henrike Horn, Marco Koch, Georg Lurje, Twan Lammers, Steven Olde Damink, Gregory van derKroft, Felix Gremse, Thorsten Cramer

“…Body composition of mice was analysed via nuclear magnetic resonance spectroscopy and microcomputed tomography. …”
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Single-Crystal ³¹P and ⁷Li NMR of the Ionic Conductor LiH₂PO₄ by Otto E. O. Zeman, Viktoria Kainz, Thomas Bräuniger

“…The electronic surroundings of phosphorus and lithium atoms in the ionic conductor lithium dihydrogen phosphate (LDP) have been studied by single-crystal nuclear magnetic resonance (NMR) spectroscopy at room temperature. …”
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Diphenyl ethers from the cultured lichen mycobiont of Graphis handelii Zahlbr by Thi-Minh-Dinh Tran, Chanat Aonbangkhen, Thuc-Huy Duong, Thu-Hoang-Mai Nguyen, Minh-Truong-Tho Ho, Warinthorn Chavasiri, Sutthida Wongsuwan, Jaruwan Chatwichien, Thi-Phi Giao Vo, Ngoc-Hong Nguyen, Duangnapa Kiriwan, Kiattawee Choowongkomon

“…The combination of Nuclear Magnetic Resonance analysis and high-resolution mass spectroscopy determined their chemical structures. …”
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Recycling preparative isolation of six bicyclol active metabolites from SD rat urine using macroporous resin, offline 2D LPLC/HPLC, and prep-HPLC combined with pharmacodynamic eval... by Xucong Huang, Zhenghua Wu, Xijier Qiaolongbatu, Han Qu, Cui Ma, Yujie Xiang, Mengqi Jia, Yanchao Liu, Shuowen Wang, Lili Jing, Xinhui Jiang, Yuefen Lou, Guorong Fan

“…The prepared metabolites possessed high purity (greater than98%), and were verified by nuclear magnetic resonance (NMR). Finally, an isoniazid (INH)-induced liver injury zebrafish model was established to evaluate the efficiency of the BIC, M7, and M8 metabolites. …”
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Complex Positive Effects of SGLT-2 Inhibitor Empagliflozin in the Liver, Kidney and Adipose Tissue of Hereditary Hypertriglyceridemic Rats: Possible Contribution of Attenuation of... by Jaroslava Trnovska, Petr Svoboda, Helena Pelantova, Marek Kuzma, Helena Kratochvilova, Barbora Judita Kasperova, Iveta Dvorakova, Katerina Rosolova, Hana Malinska, Martina Huttl, Irena Markova, Olena Oliyarnyk, Magdalena Melcova, Vojtech Skop, Milos Mraz, Sona Stemberkova-Hubackova, Martin Haluzik

“…The mechanisms behind its cardio- and nephroprotection are still not fully clarified. (2) Methods: we used male hereditary hypertriglyceridemic (hHTG) rats, a non-obese model of dyslipidaemia, insulin resistance, and endothelial dysfunction fed standard diet with or without empagliflozin for six weeks to explore the molecular mechanisms of empagliflozin effects. Nuclear magnetic resonance (NMR)-based metabolomics; quantitative PCR of relevant genes involved in lipid and glucose metabolism, or senescence; glucose and palmitic acid oxidation in isolated tissues and cell lines of adipocytes and hepatocytes were used. (3) Results: empagliflozin inhibited weight gain and decreased adipose tissue weight, fasting blood glucose, and triglycerides and increased HDL-cholesterol. …”
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Caryophyllene-Rich Essential Oils of Two Species from Southern Côte d’Ivoire: <i>Guibourtia ehie</i> (A. Chev.) J Léonard (Caesalpiniaceae) and <i>Oricia suaveolens</i> (Engl.) Ver... by Toffé Alexis Kouao, Zana Adama Ouattara, Didjour Albert Kambiré, Bosson Antoine Kouamé, Janat Akhanovna Mamyrbékova-Békro, Pierre Tomi, Mathieu Paoli, Ange Bighelli, Yves-Alain Békro, Felix Tomi

“…The essential oils of <i>Oricia suaveolens</i> and <i>Guibourtia ehie</i> from Southern Côte d’Ivoire were extracted by hydrodistillation then analyzed by gas chromatography in combination with retention indices [GC(RI)], gas chromatography coupled with mass spectrometry (GC-MS) and nuclear magnetic resonance of carbone-13 (¹³C NMR) And described here for the first time. …”
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Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students by Stephen K. Burley, Helen M. Berman, Jose M. Duarte, Zukang Feng, Justin W. Flatt, Brian P. Hudson, Robert Lowe, Ezra Peisach, Dennis W. Piehl, Yana Rose, Andrej Sali, Monica Sekharan, Chenghua Shao, Brinda Vallat, Maria Voigt, John D. Westbrook, Jasmine Y. Young, Christine Zardecki

“…RCSB PDB serves tens of thousands of data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) annually working on all permanently inhabited continents. …”
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Synthesis, in silico modelling, and in vitro biological evaluation of substituted pyrazole derivatives as potential anti-skin cancer, anti-tyrosinase, and antioxidant agents by Samuel T. Boateng, Tithi Roy, Kara Torrey, Uchechi Owunna, Sergette Banang-Mbeumi, David Basnet, Eleonora Niedda, Alexis D. Alexander, Denzel El Hage, Siriki Atchimnaidu, Bolni Marius Nagalo, Dinesh Aryal, Ann Findley, Navindra P. Seeram, Tatiana Efimova, Mario Sechi, Ronald A. Hill, Hang Ma, Jean Christopher Chamcheu, Siva Murru

“…AbstractTwenty-five azole compounds (P1–P25) were synthesised using regioselective base-metal catalysed and microwave-assisted approaches, fully characterised by high-resolution mass spectrometry (HRMS), nuclear magnetic resonance (NMR), and infrared spectra (IR) analyses, and evaluated for anticancer, anti-tyrosinase, and anti-oxidant activities in silico and in vitro. …”
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Identification of a novel class of cyclic penta-peptides against hepatitis C virus as p7 channel blockers by Shukun Wei, Chaolun Liu, Lingyu Du, Bin Wu, Jin Zhong, Yimin Tong, Shuqing Wang, Bo OuYang

“…A combination of nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations revealed that CP7 blocking activity relies on direct binding to the p7 channel lumen at the N-terminal bottleneck region. …”
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Helicobacter pylori Modulates Heptose Metabolite Biosynthesis and Heptose-Dependent Innate Immune Host Cell Activation by Multiple Mechanisms by Martina Hauke, Felix Metz, Johanna Rapp, Larissa Faass, Simon H. Bats, Sandra Radziej, Hannes Link, Wolfgang Eisenreich, Christine Josenhans

“…On the basis of one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry, the structures of major reaction products were identified as β-d-ADP-heptose and β-heptose-1-monophosphate. …”
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Improved lipidomic profile mediates the effects of adherence to healthy lifestyles on coronary heart disease by Jiahui Si, Jiachen Li, Canqing Yu, Yu Guo, Zheng Bian, Iona Millwood, Ling Yang, Robin Walters, Yiping Chen, Huaidong Du, Li Yin, Jianwei Chen, Junshi Chen, Zhengming Chen, Liming Li, Liming Liang, Jun Lv

“…In a case–control study of 4681 participants nested in the prospective China Kadoorie Biobank, 61 lipidomic markers in baseline plasma were measured by targeted nuclear magnetic resonance spectroscopy. Baseline lifestyles included smoking, alcohol consumption, dietary habit, physical activity, and adiposity levels. …”
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Phytoceramides from the Marine Sponge <i>Monanchora clathrata</i>: Structural Analysis and Cytoprotective Effects by Elena A. Santalova, Alexandra S. Kuzmich, Ekaterina A. Chingizova, Ekaterina S. Menchinskaya, Evgeny A. Pislyagin, Pavel S. Dmitrenok

“…Total ceramide, ceramide molecular species (obtained by RP-HPLC, high-performance liquid chromatography on reversed-phase column) and their sphingoid/fatty acid components were analyzed by NMR (nuclear magnetic resonance) spectroscopy and mass spectrometry. …”
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Antibacterial, Resistance Modulation, Anti-Biofilm Formation, and Efflux Pump Inhibition Properties of <i>Loeseneriella africana</i> (Willd.) N. Halle (Celastraceae) Stem Extract a... by Daniel Anokwah, Evelyn Asante-Kwatia, Jonathan Asante, Daniel Obeng-Mensah, Cynthia Amaning Danquah, Isaac Kingsley Amponsah, Elvis Ofori Ameyaw, Robert Peter Biney, Ernest Obese, Lukas Oberer, Daniel Gyamfi Amoako, Akebe Luther King Abia, Abraham Yeboah Mensah

“…Purification of the extract was carried out by chromatographic methods, and the isolated compounds were characterized based on nuclear magnetic resonance, Fourier transform infrared and mass spectrometry spectral data and comparison with published literature. …”
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Grape polyphenols decrease circulating branched chain amino acids in overfed adults by Simona Bartova, Francisco Madrid-Gambin, Luis Fernández, Luis Fernández, Jerome Carayol, Emmanuelle Meugnier, Bérénice Segrestin, Pauline Delage, Nathalie Vionnet, Alexia Boizot, Martine Laville, Hubert Vidal, Santiago Marco, Santiago Marco, Jörg Hager, Sofia Moco

“…Samples from a similarly designed trial on females (20 subjects) were collected in parallel (Lausanne study). Nuclear magnetic resonance (NMR)-based metabolomics was conducted to characterize metabolome changes induced by overfeeding and associated effects from polyphenol supplementation. …”
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Image‐guided metabolomics and transcriptomics reveal tumour heterogeneity in luminal A and B human breast cancer beyond glucose tracer uptake by Qianlu Yang, Sisi Deng, Heike Preibsch, Tim‐Colin Schade, André Koch, Georgy Berezhnoy, Laimdota Zizmare, Anna Fischer, Brigitte Gückel, Annette Staebler, Andreas D. Hartkopf, Bernd J. Pichler, Christian laFougère, Markus Hahn, Irina Bonzheim, Konstantin Nikolaou, Christoph Trautwein

“…From a subset of patients, which showed high metabolic heterogeneity based on tracer uptake and pathology classification, tumour centre and periphery specimen tissue samples were further investigated by a targeted breast cancer gene expression panel and quantitative metabolomics by nuclear magnetic resonance (NMR) spectroscopy. All data were analysed in a combinatory approach. …”
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A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction by Jeongmin Han, Iktae Kim, Jae-Hyun Park, Ji-Hye Yun, Keehyoung Joo, Taehee Kim, Gye-Young Park, Kyoung-Seok Ryu, Yoon-Joo Ko, Kenji Mizutani, Sam-Young Park, Rho Hyun Seong, Jooyoung Lee, Jeong-Yong Suh, Weontae Lee

“…Here, we employed X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, and various biophysical methods in order to investigate the detailed binding mechanism between hSNF5 and BAF155. …”
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Fluorine Atoms on C₆H₅-Corrole Affect the Interaction with M^pro and PL^pro Proteases of SARS-CoV-2: Molecular Docking and 2D-QSAR Approac... by Otávio Augusto Chaves, Cláudio Eduardo Rodrigues-Santos, Áurea Echevarria, Carolina Q. Sacramento, Natalia Fintelman-Rodrigues, Jairo R. Temerozo, Hugo Caire Castro-Faria-Neto, Thiago Moreno Lopes e Souza

“…The 2D-QSAR models indicated two separated regions of higher and lower affinity for M^pro:<b>C1</b>–<b>C17</b> based on dual electronic parameters (σ_I and σ_R), as well as one model was obtained with a correlation between the docking score value of M^pro:<b>C2</b>–<b>C17</b> and the corresponding ¹³C nuclear magnetic resonance (NMR) chemical shifts of the sp² carbon atoms (δ_C-1 and δ_C-2) of <b>C2</b>–<b>C17</b>. …”
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Screening and characterizing the quality markers of Selaginella tamariscina (P. Beauv.) Spring using metabonomics and molecular networking by Wei Zhang, Wen-Bo Li, Hui Zou, Kang-Ping Xu, Hong-Ping Long, Jing Li, Qi Huang, Zhen-Xing Zou, Yi-Kun Wang, Gui-Shan Tan

“…The top-2 distinguishing markers were isolated from S. tamariscina and identified by molecular networking together with nuclear magnetic resonance spectroscopy (NMR). Network pharmacology predicted the bioactivity and cytotoxicity of the top-2 distinguishing markers. …”
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Evaluation of the Local Anesthetic Activity, Acute Toxicity, and Structure–Toxicity Relationship in Series of Synthesized 1-Aryltetrahydroisoquinoline Alkaloid Derivatives In Vivo... by Azizbek A. Azamatov, Sherzod N. Zhurakulov, Valentina I. Vinogradova, Firuza Tursunkhodzhaeva, Roaa M. Khinkar, Rania T. Malatani, Mohammed M. Aldurdunji, Antonio Tiezzi, Nilufar Z. Mamadalieva

“…The structures of the substances obtained were confirmed by infrared (IR) and nuclear magnetic resonance (¹H and ¹³C NMR) spectra. …”
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