Combined multi-scale characterization of pores in ultra-thick coal seams of Jurassic Xishanyao Formation, Tiaohu-Malang sags, Santanghu Basin by Yue CHEN, Qiqi LEI, Dongmin MA, Xin WANG, Xinggang WANG, Diefang HUANG, Gaoxiang RONG

“…Techniques such as high-pressure mercury intrusion porosimetry, low-temperature liquid nitrogen adsorption, nuclear magnetic resonance (NMR), CT scanning, scanning electron microscopy (SEM), and the pore-crack analysis system (PCAS) were used to investigate pore development characteristics. …”
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Development of Ketoprofen Impurity A (1-(3-Benzoylphenyl)ethanone) as a Certified Reference Material for Pharmaceutical Quality Control by Nikolay A. Shulga, Vladimir I. Gegechkori, Natalya V. Gorpinchenko, Valery V. Smirnov, Sergey P. Dementyev, Galina V. Ramenskaya

“…The obtained product was purified using preparative chromatography and characterised by infrared spectroscopy (IR), 1H and 13C nuclear magnetic resonance (NMR), and mass spectrometry. The structure was verified using primary research methods to confirm its identity as the target product. …”
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Decidualized ovarian and rectouterine deep endometriosis disguised as malignancy in the second-trimester of pregnancy: A case report by Lingjie Bao, Ting Wang, Yinping Xiao, Shouxin Gu, Xiaoyu Zhou, Yunxi Zheng, Yun Chen, Xiaofang Yi

“…Transvaginal ultrasound (TVS) showed bilateral adnexal masses of uneven echo with size 8.7 × 7.3 cm in the left ovary and size 5.5 × 4.8 cm in the right ovary, and another cystic mass with size 3.3 × 3.1 cm at rectouterine pouch. Serial nuclear magnetic resonance imaging (MRI) without contrast media for further evaluation indicated that these newly found pelvic masses were suspected to be ovarian endometrioid carcinoma with a metastasized lesion at rectouterine pouch. …”
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Machine learning-based plasma metabolomics for improved cirrhosis risk stratification by Jingru Song, Ziwei Gao, Liqun Lai, Jie Zhang, Binbin Liu, Yi Sang, Siqi Chen, Jiachen Qi, Yujun Zhang, Huang Kai, Wei Ye

“…Methods This study used proton nuclear magnetic resonance (1 H-NMR) serum metabolomics data from the UK Biobank (UKB) and employed elastic net-regularized Cox proportional hazards models to explore the role of metabolomics in cirrhosis risk stratification in patients with CLD. …”
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Bis(7)-harmine derivatives as potential multi-target anti-Alzheimer agents by Hongtao Du, Hongtao Du, Hongtao Du, Fang Ma, Fang Ma, Yuanyuan Cao, Miaoyan Bai, Xinyi Gao, Ziyi Yang, Yang Xu, Yan Yan, Yan Yan

“…In this study, a series of bis(7)-harmine derivatives were designed and synthesized as multifunctional drugs for the treatment of AD.MethodsThe derivatives were synthesized by chemical methods and their structure was confirmed by nuclear magnetic resonance (NMR). The Ellman’s assay was utilized to assess the inhibitory potential of derivatives against hAChE and hBuChE. …”
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Metabolic Phenotyping of Adipose-Derived Stem Cells Reveals a Unique Signature and Intrinsic Differences between Fat Pads by Camille Lefevre, Baptiste Panthu, Danielle Naville, Sylvie Guibert, Claudie Pinteur, Bénédicte Elena-Herrmann, Hubert Vidal, Gilles J. P. Rautureau, Anne Mey

“…In this study, we performed high-resolution nuclear magnetic resonance (NMR) metabolomic analyses of ASC culture supernatants in order to characterize their metabolic phenotype in culture. …”
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Mechanism of the blood-brain barrier modulation by cadherin peptides by Elinaz Farokhi, Ahmed L. Alaofi, Vivitri D. Prasasty, Filia Stephanie, Marlyn D. Laksitorini, Krzysztof Kuczera, Teruna J. Siahaan

“…The binding properties of ADTC5, ADTC7, and ADTC9 to the extracellular-1 (EC1) domain of E-cadherin were evaluated using chemical shift perturbation (CSP) method in the two dimensional (2D) 1H-15N-heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectroscopy. Molecular docking experiments were used to determine the binding sites of these peptides to the EC1 domain of E-cadherin. …”
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PLL-g-HPA Hydrogel Loaded Human Umbilical Cord Mesenchymal Stem Cells Promote Burn Wound Healing in Rat Model by Regulating Inflammation Response by Tian L, Wang Z, Lei T, Feng L, Li Y, Wang K, Zhang Y, Zhang C, Liu J, Xing H, Ren W

“…Therefore, the aim of this study was to evaluate the therapeutic effect of hUC-MSCs combined with PLL-g-HPA hydrogel on full thickness burn injury in rat model.Methods: The PLL-g-HPA hydrogel was developed and characterized by Scanning Electron Microscopy (SEM), Fourier-Transform Infrared Spectroscopy (FTIR), Hydrogen-1 nuclear magnetic resonance (H-NMR). The cytotoxicity to human foreskin fibroblasts (HFF) were assessed by CCK-8 assay and live/dead quantification and antibacterial activity against Escherichia coli and Staphylococcus aureus was also detected by colony forming unit. …”
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Phytochemical and Bioactivity Evaluation of Bee Pollen and Androecia of <i>Castanea</i>, <i>Salix</i>, and <i>Quercus</i> Species by Nisa Beril Sen, Irena Vovk, Hasan Kırmızıbekmez, Etil Guzelmeric

“…<i>N</i>¹,<i>N</i>⁵,<i>N</i>¹⁰-tricaffeoylspermidine was isolated, and its structure was elucidated by nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS). …”
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A New Transformation Method of the T₂ Spectrum Based on Ordered Clustering—A Case Study on the Pore-Throat Utilization Rule of Supercritical CO₂ Flooding in L... by Yanchun Su, Chunhua Zhao, Xianjie Li, Xiujun Wang, Jian Zhang, Bo Huang, Xiaofeng Tian, Mingxi Liu, Kaoping Song

“…Nuclear magnetic resonance (NMR) and high-pressure mercury injection (HPMI) have been widely used as common characterization methods of pore-throat. …”
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Physicochemical characterization of biodegradable polymer polyhydroxybutyrate from halophilic bacterium local strain Halomonas elongata by W.O.S. Rizki, E. Ratnaningsih, D.G.T. Andini, S. Komariah, A.T. Simbara, R. Hertadi

“…The functional groups of isolated polyhydroxybutyrate were analyzed using nuclear magnetic resonance and Fourier transform infrared spectroscopy. …”
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Molecular and cellular aspects of the impact of secondary metabolites from common barberry and hybrid goat’s rue on the HeLa cell line by E. Yu. Zlatnik, Ya. S. Enin, O. N. Burov, E. S. Bondarenko, A. B. Sagakyants, D. S. Kutilin, Yu. V. Dzigunova, O. G. Ishonina, E. V. Shalashnaya, N. D. Ushakova

“…The isolation and verification of all compounds used in the experiment were carried out using column chromatography and nuclear magnetic resonance methods at the Department of Natural Compounds, Faculty of Chemistry, Southern Federal University. …”
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Adsorbate-driven dynamic active sites in stannosilicate zeolites by Xianfeng Yi, Yao Xiao, Changjiu Xia, Fengqing Liu, Yujia Liu, Yu Hui, Xin Yu, Yucai Qin, Wei Chen, Zhiqiang Liu, Lijuan Song, Anmin Zheng

“…In this study, a dynamic transformation of framework Sn−O−Si sites to Sn−OH/Si−OH pairs and subsequently a pseudo-Brønsted acid in stannosilicate zeolites upon molecular adsorption, which is analogous to various adsorbates/reactants under working conditions, was identified by solid-state nuclear magnetic resonance (NMR) spectroscopy for the first time, which challenges the widespread assumption that the active center structures remain rigid/stable during the catalytic process. …”
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α-methyltryptophan-mediated protection against diabetic nephropathy in db/db mice as studied with a metabolomics approach by Aimin Cai, Dingchao Shen, Qiushuang Xiong, Jie Ding, Yang Ding, Xinlu Lin, Lijia Chen, Qing Yao, Qing Yao, Guangyong Lin, Ruijie Chen, Vadivel Ganapathy, Vadivel Ganapathy, Longfa Kou

“…SLC6A14 and also an inhibitor of indoleamine 2,3-dioxygenase-1 (IDO1).MethodsIn this study, we employed a nuclear magnetic resonance-based metabolomic approach to investigate the therapeutic effects of α-MT in a db/db mouse model of DN and explore the underlying molecular mechanisms.ResultsThe results of the study demonstrated that α-MT significantly reduced the urinary excretion of albumin and creatinine, improved kidney function, and decreased renal fibrosis in db/db mice. …”
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Microplastic analysis in soils: A comparative assessment by Stoyana Peneva, Quynh Nhu Phan Le, Davi R. Munhoz, Olivia Wrigley, Flora Wille, Heidi Doose, Crispin Halsall, Paula Harkes, Michael Sander, Melanie Braun, Wulf Amelung

“…We compared analytical protocols for MiP quantification in soil, consisting of Digital, Fluorescence, Fourier-transform infrared (FTIR), and Raman Microscopy as well as quantitative Pyrolysis-Gas Chromatography-Mass Spectroscopy (Py-GC-MS) and 1-proton nuclear magnetic resonance (1H NMR) spectroscopy as detection techniques. …”
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Targeting the G-quadruplex as a novel strategy for developing antibiotics against hypervirulent drug-resistant Staphylococcus aureus by Maria Sultan, Maria Razzaq, Joohyun Lee, Shreyasi Das, Shrute Kannappan, Vinod Kumar Subramani, Wanki Yoo, Truc Kim, Hye-Ra Lee, Akhilesh K. Chaurasia, Kyeong Kyu Kim

“…Physicochemical assessments using UV–visible, circular dichroism, and nuclear magnetic resonance spectroscopy confirmed that the G4-motif present in the mraZ promoter formed an intramolecular parallel G4 structure, interacting with NMM. …”
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Identification and Mass Spectrometric Fragmentation Pathways of Chemical Components in the Traditional Chinese Medicine Formula of Jiuwei Decoction by Jia-yu ZHAO, Yue-guang LYU, Tong XIN, Qian-qian GUO, Wen-ying ZHANG, Jin-hong LI, Hong-yu XUE, Qiang MA

“…Therefore, in the pursuit of analyzing active components in TCMs, it is advisable to delve deeper into separation and identification through the utilization of diverse techniques such as nuclear magnetic resonance spectroscopy, ultraviolet/infrared spectroscopy, and capillary electrophoresis-mass spectrometry.…”
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Exploring the potential of black soldier fly live larvae as a sustainable protein source for laying hens: A comprehensive study on egg quality by Arianna Cattaneo, Erminia Sezzi, Marco Meneguz, Roberto Rosà, Davide Santori, Sofia Cucci, Rosalba Roccatello, Francesca Grosso, Stefano Mercandino, Valeria Zambotto, Eugenio Aprea, Pavel Solovyev, Luana Bontempo, Angela Trocino, Gerolamo Xiccato, Sihem Dabbou

“…., chemical composition, fatty acid (FA) profile, and metabolic profile using nuclear magnetic resonance (NMR) spectroscopy. To this aim, 108 Lohman Brown hens were housed in 27 cages (9 replicates per treatment, 4 birds per pen) and monitored between 16 and 34 weeks of age. …”
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Novel type 2 diabetes prediction score based on traditional risk factors and circulating metabolites: model derivation and validation in two large cohort studiesResearch in context by Ruijie Xie, Christian Herder, Sha Sha, Lei Peng, Hermann Brenner, Ben Schöttker

“…A total of 249 NMR-derived metabolites were quantified using nuclear magnetic resonance (NMR) spectroscopy. Metabolites were selected with LASSO regression and model performance was evaluated with Harrell's C-index. …”
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WAND: A multi-modal dataset integrating advanced MRI, MEG, and TMS for multi-scale brain analysis by Carolyn B. McNabb, Ian D. Driver, Vanessa Hyde, Garin Hughes, Hannah L. Chandler, Hannah Thomas, Christopher Allen, Eirini Messaritaki, Carl J. Hodgetts, Craig Hedge, Maria Engel, Sophie F. Standen, Emma L. Morgan, Elena Stylianopoulou, Svetla Manolova, Lucie Reed, Matthew Ploszajski, Mark Drakesmith, Michael Germuska, Alexander D. Shaw, Lars Mueller, Holly Rossiter, Christopher W. Davies-Jenkins, Tom Lancaster, C. John Evans, David Owen, Gavin Perry, Slawomir Kusmia, Emily Lambe, Adam M. Partridge, Allison Cooper, Peter Hobden, Hanzhang Lu, Kim S. Graham, Andrew D. Lawrence, Richard G. Wise, James T. R. Walters, Petroc Sumner, Krish D. Singh, Derek K. Jones

“…Abstract This paper introduces the Welsh Advanced Neuroimaging Database (WAND), a multi-scale, multi-modal imaging dataset comprising in vivo brain data from 170 healthy volunteers (aged 18–63 years), including 3 Tesla (3 T) magnetic resonance imaging (MRI) with ultra-strong (300 mT/m) magnetic field gradients, structural and functional MRI and nuclear magnetic resonance spectroscopy at 3 T and 7 T, magnetoencephalography (MEG), and transcranial magnetic stimulation (TMS), together with trait questionnaire and cognitive data. …”
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