Triterpenoids from the Stem Bark of <i>Aglaia cucullata</i> (Meliaceae) and Their Cytotoxic Activity against A549 Lung Cancer Cell Line by Desi Harneti, Iqbal Wahyu Mustaqim, Darwati Darwati, Al Arofatus Naini, Purnama Purnama, Erina Hilmayanti, Tri Mayanti, Nurlelasari Nurlelasari, Shabarni Gaffar, Rani Maharani, Kindi Farabi, Unang Supratman, Sofa Fajriah, Mohamad Nurul Azmi, Yoshihito Shiono

“…Their chemical structures were determined using infrared, high-resolution mass spectrometry, and nuclear magnetic resonance, as well as through data comparison of the reported compounds. …”
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In FUS[1−359]‐tg mice O,S-dibenzoyl thiamine reduces muscle atrophy, decreases glycogen synthase kinase 3 beta, and normalizes the metabolome by Fay Probert, Anna Gorlova, Alexei Deikin, Lucien Bettendorff, Ekaterina Veniaminova, Andrey Nedorubov, Kirill D. Chaprov, Tamara A. Ivanova, Daniel C. Anthony, Tatyana Strekalova

“…We examined physiological, behavioral, molecular and histological outcomes, as well as the serum metabolome using nuclear magnetic resonance (NMR). The DBT-treated mice displayed improvements in physiological outcomes, motor function and muscle atrophy compared to vehicle, and the treatment normalized levels of brain glycogen synthase kinase-3β (GSK-3β), GSK-3β mRNA and IL-1β mRNA in the spinal cord. …”
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Alkaloid from Alstonia yunnanensis diels root against gastrointestinal cancer: Acetoxytabernosine inhibits apoptosis in hepatocellular carcinoma cells by Qi Lai, Chun-Ju Yang, Qi zhang, Min Zhuang, Min Zhuang, Yan-Hua Ma, Yan-Hua Ma, Cheng-Yuan Lin, Cheng-Yuan Lin, Guang-Zhi Zeng, Jun-Lin Yin

“…The chemical composition of the Alstonia yunnanensis Diels roots was studied using silica column chromatography, gel chromatography, recrystallization, and HPLC, and the compounds were structurally identified by modern spectral analysis using mass spectrometry (MS) and nuclear magnetic resonance (1H-, 13C-, HMQC-, HMBC-, and 1H-1HCOSY-NMR), ultraviolet and visible spectrum (UV), and electronic Circular Dichroism (ECD). …”
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Green Copolymers and Nanocomposites from Myrcene and Limonene Using Algerian Nano-Clay as Nano-Reinforcing Filler by Hodhaifa Derdar, Geoffrey Robert Mitchell, Artur Mateus, Sarra Chaibedraa, Zinelabidine Otmane Elabed, Vidhura Subash Mahendra, Zakaria Cherifi, Khaldoun Bachari, Redouane Chebout, Rachid Meghabar, Amine Harrane, Mohammed Belbachir

“…The structure of the obtained copolymer is studied and confirmed by Fourier Transform Infrared spectroscopy, Nuclear Magnetic Resonance spectroscopy, and Differential Scanning Calorimetry. …”
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Curing Cats with Feline Infectious Peritonitis with an Oral Multi-Component Drug Containing GS-441524 by Daniela Krentz, Katharina Zenger, Martin Alberer, Sandra Felten, Michèle Bergmann, Roswitha Dorsch, Kaspar Matiasek, Laura Kolberg, Regina Hofmann-Lehmann, Marina L. Meli, Andrea M. Spiri, Jeannie Horak, Saskia Weber, Cora M. Holicki, Martin H. Groschup, Yury Zablotski, Eveline Lescrinier, Berthold Koletzko, Ulrich von Both, Katrin Hartmann

“…Mass spectrometry and nuclear magnetic resonance identified GS-441524 as an active component of Xraphconn^®. …”
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An Extract from Shrimp Processing By-Products Protects SH-SY5Y Cells from Neurotoxicity Induced by Aβ25–35 by Yongping Zhang, Guangling Jiao, Cai Song, Shelly Gu, Richard E. Brown, Junzeng Zhang, Pingcheng Zhang, Jacques Gagnon, Steven Locke, Roumiana Stefanova, Claude Pelletier, Yi Zhang, Hongyu Lu

“…Increased evidence suggests that marine unsaturated fatty acids (FAs) can protect neurons from amyloid-β (Aβ)-induced neurodegeneration. Nuclear magnetic resonance (NMR), high performance liquid chromatography (HPLC) and gas chromatography (GC) assays showed that the acetone extract 4-2A obtained from shrimp Pandalus borealis industry processing wastes contained 67.19% monounsaturated FAs and 16.84% polyunsaturated FAs. …”
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Characterization of the structure, anti-inflammatory activity and molecular docking of a neutral polysaccharide separated from American ginseng berries by Qixiang Feng, Huijiao Yan, Yu Feng, Li Cui, Hidayat Hussain, Jeong Hill Park, Sung Won Kwon, Lei Xie, Yan Zhao, Zhihao Zhang, Jinfan Li, Daijie Wang

“…The structure of the specific isolated polysaccharide was investigated by Fourier Transform infrared spectroscopy (FT-IR), GC-MS and nuclear magnetic resonance (NMR), and anti-inflammatory activity was evaluated using in vitro and in vivo models (Raw 264.7 cells and zebrafish). …”
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Structural and Physicochemical Characterization of Chitosan Obtained by UAE and Its Effect on the Growth Inhibition of <i>Pythium ultimum</i> by Héctor Martín-López, Soledad Cecilia Pech-Cohuo, Emanuel Herrera-Pool, Nelly Medina-Torres, Juan Carlos Cuevas-Bernardino, Teresa Ayora-Talavera, Hugo Espinosa-Andrews, Ana Ramos-Díaz, Stéphane Trombotto, Neith Pacheco

“…The ultrasonically extracted chitosan (UC) reached a yield of 86.96% with 100% solubility, a degree of deacetylation (DDA) >78%, molecular weight (<i>M_W</i>) of 3.928 × 10⁵ g mol⁻¹, and a crystallinity index (<i>Icr</i>) of 87%, calculated through nuclear magnetic resonance (¹H NMR) and Fourier transform infrared spectroscopy (FTIR), size exclusion chromatography (SEC), and X-ray diffraction (XRD), respectively. …”
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Evaluation of the cytotoxic activity and toxicity of a tropolone derivative with a potential antitumor effect by O. I. Kit, V. I. Minkin, E. A. Lukbanova, Yu. A. Sayapin, E. A. Gusakov, A. O. Sitkovskaya, S. Yu. Filippova, E. F. Komarova, A. V. Volkova, D. V. Khodakova, M. V. Mindar, Yu. N. Lazutin, M. A. Engibaryan, V. E. Kolesnikov

“…Its structure was established by 1 H nuclear magnetic resonance (NMR), infrared (IR) spectroscopy, and mass spectrometry. …”
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Unearthing a Cryptic Biosynthetic Gene Cluster for the Piperazic Acid-Bearing Depsipeptide Diperamycin in the Ant-Dweller <i>Streptomyces</i> sp. CS113 by Coral García-Gutiérrez, Ignacio Pérez-Victoria, Ignacio Montero, Jorge Fernández-De la Hoz, Mónica G. Malmierca, Jesús Martín, José A. Salas, Carlos Olano, Fernando Reyes, Carmen Méndez

“…The identity of diperamycin was confirmed by High-Resolution Mass Spectrometry (HRMS) and Nuclear Magnetic Resonance (NMR) and by analysis of the domain composition of modules from the DpnP PKS and DpnS NRPS. …”
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Acute effects of moderate vs. vigorous endurance exercise on urinary metabolites in healthy, young, physically active men—A multi-platform metabolomics approach by Sina Kistner, Carina I. Mack, Manuela J. Rist, Ralf Krüger, Björn Egert, Nathalie Biniaminov, Ann Katrin Engelbert, Stephanie Seifert, Claudia Dörr, Paola G. Ferrario, Rainer Neumann, Stefan Altmann, Stefan Altmann, Achim Bub, Achim Bub

“…While untargeted two-dimensional gas chromatography-mass spectrometry (GC×GC-MS) led to the detection of 608 spectral features, 44 metabolites were identified and quantified by targeted nuclear magnetic resonance (NMR) spectroscopy or liquid chromatography-mass spectrometry (LC-MS).Results: 104 urinary metabolites showed at least one significant difference for selected comparisons of sampling time points within or between exercise trials as well as a relevant median fold change &gt;1.5 or &lt;0.6¯ (NMR, LC-MS) or &gt;2.0 or &lt;0.5 (GC×GC-MS), being classified as either exercise-responsive or intensity-dependent. …”
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Effects of tea branch liquid smoke on oxidation and structure of myofibrillar protein derived from pork tenderloin during curing by Yanpei Huang, Ying Zhou, Yuanyuan Liu, Jing Wan, Ping Hu, Linggao Liu, Mingming Li, Yeling Zhou, Sha Gu, Dan Chen, Bokai Hu, Ke Hu, Qiujin Zhu

“…Low frequency nuclear magnetic resonance (LFNHR) revealed that TLS also improved the water holding capacity of the cured meat by increasing the percentage of bound water. …”
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Low-field, high-gradient NMR shows diffusion contrast consistent with localization or motional averaging of water near surfaces by Nathan H. Williamson, Velencia J. Witherspoon, Teddy X. Cai, Rea Ravin, Ferenc Horkay, Peter J. Basser

“…Nuclear magnetic resonance (NMR) measurements of water diffusion have been extensively used to probe microstructure in porous materials, such as biological tissue, however primarily using pulsed gradient spin echo (PGSE) methods. …”
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Assessing the Acute Toxicological Effects of <i>Annona muricata</i> Leaf Ethanol Extract on Rats: Biochemical, Histopathological, and Metabolomics Analyses by Siti Norliyana Zubaidi, Wasim S. M. Qadi, Syahida Maarof, Norazlan Mohmad Misnan, Halimatul Saadiah Mohammad Noor, Hamizah Shahirah Hamezah, Syarul Nataqain Baharum, Nurwahyuna Rosli, Faidruz Azura Jam, Ebtesam Al-Olayan, Chuanyi Wang, Khaoula Hellal, Nawal Buzgaia, Ahmed Mediani

“…The intent of the current study was to use advanced proton nuclear magnetic resonance (¹H NMR) in serum and urinary metabolomics evaluation techniques to provide the in vivo acute toxicological profile of <i>A. muricata</i> leaf ethanol extract in accordance with the Organization for Economic Co-operation and Development’s (OECD) 423 guidelines. …”
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Osteogenic lithium-doped brushite cements for bone regeneration by K. Hurle, F.R. Maia, V.P. Ribeiro, S. Pina, J.M. Oliveira, F. Goetz-Neunhoeffer, R.L. Reis

“…In-situ X-ray diffraction (XRD) and in-situ 1H nuclear magnetic resonance (1H NMR) measurements proved the precipitation of brushite, as main phase, and monetite, indicating that Li+ favored the formation of monetite under certain conditions. …”
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Polyphasic Approach Utilized for the Identification of Two New Toxigenic Members of <i>Penicillium</i> Section <i>Exilicaulis</i>, <i>P. krskae</i> and <i>P. silybi</i> spp. nov. by Roman Labuda, Markus Bacher, Thomas Rosenau, Erika Gasparotto, Hannes Gratzl, Maria Doppler, Michael Sulyok, Alena Kubátová, Harald Berger, Kristof Cank, Huzefa A. Raja, Nicholas H. Oberlies, Christoph Schüller, Joseph Strauss

“…Two new chloroemodic acid derivatives (2-chloro-isorhodoptilometrin and 2-chloro-desmethyldermoquinone) isolated from the exudate of <i>P. krskae</i> ex-type culture were analyzed by nuclear magnetic resonance (NMR) and liquid chromatography–mass spectrometry (LC–MS).…”
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Protein-protein interaction-based high throughput screening for adenylyl cyclase 1 inhibitors: Design, implementation, and discovery of a novel chemotype by Tiffany S. Dwyer, Joseph B. O’Brien, Christopher P. Ptak, Justin E. LaVigne, Daniel P. Flaherty, Daniel P. Flaherty, Daniel P. Flaherty, Val J. Watts, Val J. Watts, Val J. Watts, David L. Roman, David L. Roman, David L. Roman

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Cyclohexylammonium Hexaisothiocyanatonickelate(II) Dihydrate as a Single-Source Precursor for High Surface Area Nickel Oxide and Sulfide Nanocrystals by Mohamed F. Aly Aboud, Abdulmalik M. BinTaleb, Hamdi Ben Yahia, Abdelhamid Albaid, Sultan Albishi, Rasheed Arasheed, Ibrahim Albinali, Fahad Albaqi, Khalid Anojaidi, Fahad Alqahtani, Asma M. Alenad, Kamal Taha, Abdulaziz Bagabas

“…The compound was fully characterized by elemental microanalysis, Fourier transform infrared (FTIR), ultraviolet-visible-near infrared (UV-Vis-NIR), and nuclear magnetic resonance (NMR) spectroscopy and thermogravimetry. …”
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Screening approaches for the identification of Nrf2-Keap1 protein-protein interaction inhibitors targeting hot spot residues by Wataru Asano, Rie Hantani, Toru Uhara, François Debaene, Akihiro Nomura, Keishi Yamaguchi, Tsuyoshi Adachi, Kazuki Otake, Kazuhito Harada, Yoshiji Hantani

“…In addition, the binding mode of one compound (Compound 4) was determined by X-ray crystallography after validation of binding by isothermal titration calorimetry, native mass spectrometry, and nuclear magnetic resonance. Compound 4 had favorable thermodynamic properties, and noncovalently bound to Keap1 with a stoichiometry of 1:1. …”
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From adenoma to CRC stages: the oral-gut microbiome axis as a source of potential microbial and metabolic biomarkers of malignancy by Edda Russo, Leandro Di Gloria, Giulia Nannini, Gaia Meoni, Elena Niccolai, Maria Novella Ringressi, Simone Baldi, Renato Fani, Leonardo Tenori, Antonio Taddei, Matteo Ramazzotti, Amedeo Amedei

“…In addition, as the microbiota contributes to the production of essential metabolic products detectable in fecal samples, we analysed and compared metabolites obtained from CRC and AP patients by using a Nuclear magnetic resonance (NMR) approach. Methods: In this observational study, saliva, tissue and stool samples from 61 patients, have been collected, including 46 CRC and 15 AP patients, age and sex-matched, undergoing surgery in 2018 at the Careggi University Hospital (Florence, Italy). …”
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