Anti acne-causing bacteria and phytochemical studies of jambu batu (Psidium guajava Linn.) leaf by Md Padzil, Khairul Naim

“…The active compounds anti-acne in fractions were identified by using Gas Chromatography-Mass Spectrometry (GS-MS), Liquid Chromatography-Mass Spectrometry (LS-MS) and Proton Nuclear Magnetic Resonance (1H NMR). The leaves of P. guajava Linn. was extracted into crude extract using four different solvents, namely methanol, ethanol, hexane and water. …”
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Metabolomics analysis of the anti-inflammatory activity of Scurrula ferruginea (Jack) danser parasitizing on three different host plants, and insights into possible mechanism by Hong, Xia

“…Afterwards, the metabolite variation was examined using proton nuclear magnetic resonance (1H NMR) and liquid chromatography mass spectrometry (LC-MS) combined with multivariate data analysis (MVDA). …”
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Intrasubject subcortical quantitative referencing to boost MRI sensitivity to Parkinson's disease by Laila Khedher, Jean-Marie Bonny, Ana Marques, Elodie Durand, Bruno Pereira, Marie Chupin, Tiphaine Vidal, Carine Chassain, Luc Defebvre, Nicolas Carriere, Valerie Fraix, Elena Moro, Stéphane Thobois, Elise Metereau, Graziella Mangone, Marie Vidailhet, Jean-Christophe Corvol, Stéphane Lehéricy, Nicolas Menjot de Champfleur, Christian Geny, Umberto Spampinato, Wassilios Meissner, Solène Frismand, Emmanuelle Schmitt, Anne Doé de Maindreville, Christophe Portefaix, Philippe Remy, Gilles Fénelon, Jean Luc Houeto, Olivier Colin, Olivier Rascol, Patrice Peran, Franck Durif

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Monomethylsulochrin isolated from biomass extract of Aspergillus sp. against Leishmania amazonensis: In vitro biological evaluation and molecular docking by João Victor Silva-Silva, João Victor Silva-Silva, Rosiane Fernandes Moreira, Luciano Almeida Watanabe, Celeste da Silva Freitas de Souza, Daiana de Jesus Hardoim, Noemi Nosomi Taniwaki, Alvaro Luiz Bertho, Alvaro Luiz Bertho, Kerolain Faoro Teixeira, Arthur Ribeiro Cenci, Thiago Henrique Doring, José Wilmo da Cruz Júnior, Aldo Sena de Oliveira, Patrícia Santana Barbosa Marinho, Kátia da Silva Calabrese, Andrey Moacir do Rosario Marinho, Fernando Almeida-Souza, Fernando Almeida-Souza

“…The chromatographic profiles of the extract were determined by high-performance liquid chromatography coupled with a diode-array UV-Vis detector (HPLC-DAD-UV), and the molecular identification of the pseurotin A and monomethylsulochrin were carried out by electrospray ionization mass spectrometry in tandem (LC-ESI-MS-MS) and nuclear magnetic resonance (NMR). Antileishmanial activity was assayed against promastigote and intracellular amastigote of Leishmania amazonensis. …”
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Correlation of the Isotropic NMR Chemical Shift with Oxygen Coordination Distances in Periodic Solids by Jennifer Steinadler, Otto E. O. Zeman, Thomas Bräuniger

“…In Nuclear Magnetic Resonance (NMR) spectroscopy, the isotropic chemical shift <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>δ</mi><mrow><mi>i</mi><mi>s</mi><mi>o</mi></mrow></msub></semantics></math></inline-formula> is a measure of the electron density around the observed nuclide. …”
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Natural 2′,4-Dihydroxy-4′,6′-dimethoxy Chalcone Isolated from <i>Chromolaena tacotana</i> Inhibits Breast Cancer Cell Growth through Autophagy and Mitochondrial Apoptosis by Gina Mendez-Callejas, Marco Piñeros-Avila, Crispin A. Celis, Ruben Torrenegra, Anderson Espinosa-Benitez, Roberto Pestana-Nobles, Juvenal Yosa-Reyes

“…We determined the chemical composition of the chalcone using ultraviolet (UV) and nuclear magnetic resonance (NMR) spectroscopy. Its selective cytotoxicity against BC cell lines was assessed using the MTT assay. …”
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A New Oleanane Type Saponin from the Aerial Parts of <i>Nigella sativa</i> with Anti-Oxidant and Anti-Diabetic Potential by Amna Parveen, Muhammad Asim Farooq, Whang Wan Kyunn

“…Phytochemicals were isolated from the methanolic extract of aerial parts of the plant by column chromatography and identified by nuclear magnetic resonance spectroscopy and mass spectroscopy. …”
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Non-Invasive Prediction of <i>IDH</i> Mutation in Patients with Glioma WHO II/III/IV Based on F-18-FET PET-Guided In Vivo ¹H-Magnetic Resonance Spectroscopy and Machine... by Elisabeth Bumes, Fro-Philip Wirtz, Claudia Fellner, Jirka Grosse, Dirk Hellwig, Peter J. Oefner, Martina Häckl, Ralf Linker, Martin Proescholdt, Nils Ole Schmidt, Markus J. Riemenschneider, Claudia Samol, Katharina Rosengarth, Christina Wendl, Peter Hau, Wolfram Gronwald, Markus Hutterer

“…Subsequent ex vivo ¹H-nuclear magnetic resonance (¹H-NMR) measurements performed on metabolite extracts of resected tumor material (eight specimens) revealed myo-inositol (M-ins) and glycine (Gly) to be the major discriminators of <i>IDH</i> status. …”
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The FDA-Approved Antiviral Raltegravir Inhibits Fascin1-Dependent Invasion of Colorectal Tumor Cells In Vitro and In Vivo by Begoña Alburquerque-González, Ángel Bernabé-García, Manuel Bernabé-García, Javier Ruiz-Sanz, Fernando Feliciano López-Calderón, Leonardo Gonnelli, Lucia Banci, Jorge Peña-García, Irene Luque, Francisco José Nicolás, María Luisa Cayuela-Fuentes, Enrico Luchinat, Horacio Pérez-Sánchez, Silvia Montoro-García, Pablo Conesa-Zamora

“…Biophysical techniques including nuclear magnetic resonance (NMR) and differential scanning fluorimetry (DSF) were carried out in order to confirm RAL as a Fascin1 blocker. …”
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P2X7 receptor-activated microglia in cortex is critical for sleep disorder under neuropathic pain by Tingting Li, Yunling Gao, Mengying He, Mengying He, Zhu Gui, Zhu Gui, Bingchu Zhao, Bingchu Zhao, Yue Cao, Ting Chen, Jinpiao Zhu, Jinpiao Zhu, Jie Wang, Jie Wang, Jie Wang, Qi Zhong, Zongze Zhang

“…Furthermore, inhibition of P2X7R also decreased the VP-S1 coherence which increased in CCI group. Nuclear magnetic resonance demonstrated inhibition of P2X7R decreased glutamate (Glu) levels in thalamic and cortical regions which were significantly increased in the CCI mice. …”
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Antiparasitic Meroterpenoids Isolated from <i>Memnoniella dichroa</i> CF-080171 by Frederick Boye Annang, Guiomar Pérez-Moreno, Cristina Bosch-Navarrete, Victor González-Menéndez, Jesús Martín, Thomas A. Mackenzie, Maria C. Ramos, Luis M. Ruiz-Pérez, Olga Genilloud, Dolores González-Pacanowska, Francisca Vicente, Fernando Reyes

“…The structures of the isolated compounds were established by (+)-ESI-TOF high-resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Compounds <b>1, 2</b>, and <b>4</b> exhibited potent antiparasitic activity against <i>P. falciparum</i> 3D7 (EC₅₀ 0.04–0.243 μM) and <i>T. cruzi</i> Tulahuen (EC₅₀ 0.266–1.37 μM) parasites, as well as cytotoxic activity against HepG2 tumoral liver cells (EC₅₀ 1.20–4.84 μM). …”
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Plasma Metabolomic and Lipidomic Profiling of Metabolic Dysfunction-Associated Fatty Liver Disease in Humans Using an Untargeted Multiplatform Approach by Xiangping Lin, Xinyu Liu, Mohamed N. Triba, Nadia Bouchemal, Zhicheng Liu, Douglas I. Walker, Tony Palama, Laurence Le Moyec, Marianne Ziol, Nada Helmy, Corinne Vons, Guowang Xu, Carina Prip-Buus, Philippe Savarin

“…To uncover potential MAFLD pathogenesis in humans, we employed an untargeted nuclear magnetic resonance (NMR) spectroscopy- and high-resolution mass spectrometry (HRMS)-based multiplatform approach combined with a computational multiblock omics framework to characterize the plasma metabolomes and lipidomes of obese patients without (<i>n</i> = 19) or with liver biopsy confirmed MAFLD (<i>n</i> = 63). …”
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Deep learning-based image segmentation model using an MRI-based convolutional neural network for physiological evaluation of the heart by Wanni Xu, Wanni Xu, Wanni Xu, Jianshe Shi, Yunling Lin, Chao Liu, Chao Liu, Chao Liu, Weifang Xie, Weifang Xie, Weifang Xie, Huifang Liu, Siyu Huang, Daxin Zhu, Daxin Zhu, Daxin Zhu, Lianta Su, Lianta Su, Yifeng Huang, Yuguang Ye, Yuguang Ye, Yuguang Ye, Jianlong Huang, Jianlong Huang, Jianlong Huang

“…Therefore, it is important to develop an efficient heart segmentation algorithm.Methods: A total of 275 nuclear magnetic resonance imaging (MRI) heart scans were collected, analyzed, and preprocessed from Huaqiao University Affiliated Strait Hospital, and the data were used in our improved deep learning model, which was designed based on the U-net network. …”
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Charge Transport and Glassy Dynamics in Blends Based on 1-Butyl-3-vinylbenzylimidazolium Bis(trifluoromethanesulfonyl)imide Ionic Liquid and the Corresponding Polymer by Maxi Hoffmann, Ciprian Iacob, Gina Kaysan, Mira Simmler, Hermann Nirschl, Gisela Guthausen, Manfred Wilhelm

“…Charge transport, diffusion properties, and glassy dynamics of blends of imidazolium-based ionic liquid (IL) and the corresponding polymer (polyIL) were examined by Pulsed-Field-Gradient Nuclear Magnetic Resonance (PFG-NMR) and rheology coupled with broadband dielectric spectroscopy (rheo-BDS). …”
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Structural characterization, immunomodulatory effect and immune-mediated antitumor activity of a novel polysaccharide from the rhizome of Atractylodis macrocephala Koidz by Yu Zhuang, Xiao-Yu Huan, Long Sun, Wang Wang, Meng-Juan Zhou, Ming Zhao, Pei-Dong Chen, Hui Yan, Peng Pang, Xu-Qin Shi, Ren-Jie Xu, Gui-Sheng Zhou, Shu-Lan Su

“…WAMPa was characterized with molecular weight (MW) distribution, infrared spectrum, monosaccharide composition, methylation and nuclear magnetic resonance spectra. The backbone of WAMPa was → 2)-β-D-Glcp-(1 → interspersed with a small amount of → 5)-α-D-Araf-(1→, and the branches were the terminal α-D-Glcp-(1 → and β-D-Glcp-(1→. …”
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Genetic and environmental circadian disruption induce weight gain through changes in the gut microbiome by Baraa Altaha, Marjolein Heddes, Violetta Pilorz, Yunhui Niu, Elizaveta Gorbunova, Michael Gigl, Karin Kleigrewe, Henrik Oster, Dirk Haller, Silke Kiessling

“…Body composition and energy balance were evaluated by nuclear magnetic resonance (NMR), bomb calorimetry, food intake and running-wheel activity. …”
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Structural, Vibrational and Electrochemical Analysis and Antibacterial Potential of Isomeric Chalcones Derived from Natural Acetophenone by Priscila Teixeira da Silva, Thiago Sampaio de Freitas, Diniz Maciel Sena, Paulo Nogueira Bandeira, Murilo Ségio da Silva Julião, Emmanuel Silva Marinho, Ana Aline Coêlho Alcanfor, Emanuelle Machado Marinho, Pedro de Lima-Neto, Carlos Emídio Sampaio Nogueira, Henrique Douglas Melo Coutinho, Antonio Linkoln Alves Borges Leal, Humberto Medeiros Barreto, Natália Martins, Alexandre Magno Rodrigues Teixeira, Hélcio Silva dos Santos

“…<i>Methods:</i> The molecular structures of these chalcones were determined by Nuclear Magnetic Resonance and characterized by infrared, Raman spectroscopy, and electrochemical analysis at room temperature. …”
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油酸直接马来酸化制备C22 -三元羧酸Preparation of C22-tricarboxylic acid by Maleinisation of oleic acid by 陈治家，赵杰，张铭远，邓林江，钮腾飞 CHEN Zhijia，ZHAO Jie，ZHANG Mingyuan，DENG Linjiang，NIU Tengfei

“…It was proved that C22-tricarboxylic acid was obtained through mass spectrometry and nuclear magnetic resonance characterization. There was no obvious decrease in activity of catalyst after 5 times of recycling. …”
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GC和LF-NMR结合化学计量学方法 检测掺假油茶籽油Detection of adulterated oil-tea camellia seed oil by GC and LF-NMR combined with chemometrics methods by 胡伯凯1,2，王纪辉1,2，刘亚娜1,2，耿阳阳1,2，王港2，张东亚3 HU Bokai1,2, WANG Jihui1,2, LIU Yana1,2, GENG Yangyang1,2, WANG Gang2, ZHANG Dongya3

“…In order to provide support for the quality control and evaluation of oil-tea camellia seed oil, pure oil-tea camellia seed oil and adulterated oil-tea camellia seed oil (adulterated with rapeseed oil, peanut oil, palm oil,high olelc acid peanut oil respectively) were used as experimental materials, their fatty acid composition was analyzed by gas chromatography (GC) and transverse relaxation characteristic data was measured by low field nuclear magnetic resonance (LF-NMR), and then the qualitative and quantitative analysis models for distinguishing adulteration of oil-tea camellia seed oil were established by combining chemometric methods such as principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), and partial least squares analysis (PLS). …”
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1,3-Pentadiene-Assistant Living Anionic Terpolymerization: Composition Impact on Kinetics and Microstructure Sequence Primary Analysis by Qiaoqiao Xiong, Yawen Fu, Jundong Xu, Zhuowei Gu, Chengjun Peng, Haoyun Tan, Qiqi Dai, Yujie Cao, Fengli Xie, An Li, Wenjun Yi, Lijun Li, Kun Liu

“…By contrast, the microstructure and the thermal property of the resulting terpolymer were investigated via Nuclear magnetic resonance (NMR) and Differential scanning calorimetry (DSC) analysis. …”
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