The Relationship of Maternal Gestational Mass Spectrometry-Derived Metabolites with Offspring Congenital Heart Disease: Results from Multivariable and Mendelian Randomization Analy... by Kurt Taylor, Nancy McBride, Jian Zhao, Sam Oddie, Rafaq Azad, John Wright, Ole A. Andreassen, Isobel D. Stewart, Claudia Langenberg, Maria Christine Magnus, Maria Carolina Borges, Massimo Caputo, Deborah A. Lawlor

“…We sought validation of our findings, by repeating the multivariable regression analysis within the BiB cohort for any suggestively associated metabolite that was measured by nuclear magnetic resonance (NMR) or clinical chemistry (N = 7296, 87 CHD cases), and by using genetic risk scores (GRS: weighted genetic risk scores of single nucleotide polymorphisms (SNPs) that were associated with any suggestive metabolite) in Mendelian randomization (MR) analyses. …”
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Modelling and correcting the impact of RF pulses for continuous monitoring of hyperpolarized NMR by G. von Witte, G. von Witte, M. Ernst, S. Kozerke

“…<p>Monitoring the build-up or decay of hyperpolarization in nuclear magnetic resonance requires radio-frequency (RF) pulses to generate observable nuclear magnetization. …”
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Untargeted metabolomics identified kynurenine as a predictive prognostic biomarker in acute myocardial infarction by Xiaolin Zhang, Xiaolin Zhang, Yi Cai, Xu Su, Quanmin Jing, Haiwei Liu, Kun Na, Miaohan Qiu, Xiaoxiang Tian, Dan Liu, Tianxiao Wu, Chenghui Yan, Yaling Han, Yaling Han

“…This study aimed to evaluate the prognostic value of metabolomics-based biomarkers in STEMI patients and explore their functional mechanisms.MethodsMetabolite profiling was performed using nuclear magnetic resonance. The plasma concentration of Kynurenine (Kyn) was measured using ultraperformance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry. …”
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Synthesis, Characterization, and Proton Conductivity of Muconic Acid-Based Polyamides Bearing Sulfonated Moieties by Carlos Corona-García, Alejandro Onchi, Arlette A. Santiago, Tania E. Soto, Salomón Ramiro Vásquez-García, Daniella Esperanza Pacheco-Catalán, Joel Vargas

“…Fourier transform infrared spectroscopy (<i>FTIR</i>) and nuclear magnetic resonance (¹H, ¹³C, and ¹⁹F-<i>NMR</i>) techniques were used to confirm the chemical structures of the new polyamides. …”
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New Insights into the Identification of Metabolites and Cytokines Predictive of Outcome for Patients with Severe SARS-CoV-2 Infection Showed Similarity with Cancer by Susan Costantini, Gabriele Madonna, Elena Di Gennaro, Francesca Capone, Palmina Bagnara, Mariaelena Capone, Silvia Sale, Carmine Nicastro, Lidia Atripaldi, Giuseppe Fiorentino, Roberto Parrella, Vincenzo Montesarchio, Luigi Atripaldi, Paolo A. Ascierto, Alfredo Budillon

“…We evaluated untargeted plasma metabolomics and cytokine profiling via ¹H-NMR (proton nuclear magnetic resonance) and multiplex Luminex assay, respectively, in a training set of a limited number of patients with severe SARS-CoV-2 infection classified on the basis of their outcome. …”
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Identification of drought-responsive phenolic compounds and their biosynthetic regulation under drought stress in Ligularia fischeri by Yun Ji Park, Do Yeon Kwon, Song Yi Koo, To Quyen Truong, To Quyen Truong, Sung-Chul Hong, Jaeyoung Choi, Jinyoung Moon, Sang Min Kim, Sang Min Kim

“…We chromatographically isolated and identified two anthocyanins and two flavones upregulated by drought stress using liquid chromatography-mass spectrometry and nuclear magnetic resonance analyses in this plant for the first time. …”
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A novel type of neural networks for feature engineering of geological data: Case studies of coal and gas hydrate-bearing sediments by Lishuai Jiang, Yang Zhao, Naser Golsanami, Lianjun Chen, Weichao Yan

“…The coal samples used in the experiments underwent nuclear magnetic resonance (NMR) measurements, and Scanning Electron Microscopy (SEM) imaging to investigate their original micro and macro fractures. …”
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Varying Synthesis Conditions and Comprehensive Characterization of Fluorine-Doped Hydroxyapatite Nanocrystals in a Simulated Body Fluid by Dinbandhu Thakur, Sheng-Chi Yeh, Ren-Hao Cheng, Song-Seng Loke, Hung-Hsiang Wei, Po-Yu Cheng, Yi-Chun Lai, Hsuan-Ying Chen, Yu-Ren Huang, Shang-Wu Ding

“…XRD and HRTEM were employed to confirm the composition and structure, while various multinuclear (¹H, ¹⁹F, ³¹P) solid-state nuclear magnetic resonance (NMR) methods including 1D single pulse, cross-polarization under magic-angle spinning (CPMAS), and 2D heteronuclear correlation (HETCOR) were used to characterize the structure, morphology, and dynamics, validating the general core-shell morphology in these F-HAp samples. …”
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Lipoprotein profiles of fat distribution and its association with insulin sensitivity by Dongmei Wei, Vannina González Marrachelli, Vannina González Marrachelli, Jesus D. Melgarejo, Chia-Te Liao, Stefan Janssens, Peter Verhamme, Thomas Vanassche, Lucas Van Aelst, Daniel Monleon, Daniel Monleon, Josep Redón, Zhen-Yu Zhang

“…Lipoprotein particle composition in relation to WHR and to what extent their association is mediated by insulin sensitivity are less investigated.MethodsIn 504 randomly recruited Flemish (mean age: 48.9 years; women: 51.6%), we analyzed the lipoprotein particle constitutions using nuclear magnetic resonance spectroscopy. WHR obesity described a WHR of ≥ 0.85 for women or 0.9 for men. …”
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A Multimethodological Characterization of <i>Cannabis sativa</i> L. Inflorescences from Seven Dioecious Cultivars Grown in Italy: The Effect of Different Harvesting Stages by Mattia Spano, Giacomo Di Matteo, Cinzia Ingallina, Bruno Botta, Deborah Quaglio, Francesca Ghirga, Silvia Balducci, Silvia Cammarone, Enio Campiglia, Anna Maria Giusti, Giuliana Vinci, Mattia Rapa, Salvatore Ciano, Luisa Mannina, Anatoly P. Sobolev

“…The chemical profile of the female inflorescence extracts from seven <i>Cannabis sativa</i> L. dioecious cultivars (Carmagnola, Fibranova, Eletta Campana, Antal, Tiborszallasi, Kompolti, and Tisza) was monitored at three harvesting stages (4, 14, and 30 September), reaching from the beginning of flowering to end of flowering/beginning of seed formation, using untargeted nuclear magnetic resonance (NMR) and targeted (ultra-high-performance liquid chromatography (UHPLC) and spectrophotometry) analyses. …”
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Isolation, Characterization and Anticancer Activity of Two Bioactive Compounds from <i>Arisaema flavum</i> (Forssk.) Schott by Sobia Nisa, Yamin Bibi, Saadia Masood, Ashraf Ali, Sadia Alam, Maimoona Sabir, Abdul Qayyum, Waqas Ahmed, Sarah Alharthi, Eman Y. Santali, Saif A. Alharthy, Waleed M. Bawazir, Majed N. Almashjary

“…The fraction indicating maximum activity was then taken for isolation of bioactive compounds using various chromatographic and spectroscopic techniques such as column chromatography, thin-layer chromatography (TLC), gas chromatography–mass spectrometry (GC-MS), Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy (NMR). Crude extract of <i>Arisaema flavum</i> (Forssk.), as well as various fractions extracted in different solvents such as n-hexane, chloroform and ethyl acetate, were tested against human breast cancer cell line MCF-7 using an MTT assay. …”
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Chemical Constituents from Euphorbia kansui by Qiao Zhang, Qin-Rong Zhou, Jian-Wei Lou, Pei-Dong Chen, Wei-Feng Yao, Wei-Wei Tao, Yu-Ping Tang, Guan-Cheng Dai, Kun Wang, Li Zhang

“…Their structures were elucidated based on High resolution electrospray ionization mass spectrometry (HR-ESI-MS), Infrared Spectroscopy (IR), 1D and 2D Nuclear Magnetic Resonance (NMR) data. Both constituents 1 and 2 exhibited moderate cytotoxicity against colon cancer HCT-116, gastric cancer MKN-45 and breast cancer MCF-7.…”
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Tc-99m-tamoxifen: A novel diagnostic imaging agent for estrogen receptor-expressing breast cancer patients by Anupriya Chhabra, Uma Sharma, Rajender Kumar, Ishita Laroiya, Alka Bhatia, Vijayta Chadha, Rakhee Vatsa, Deepti Upadhyay, Komalpreet Kaur, Amanjit Bal, Gurpreet Singh, Bhagwant Rai Mittal, Jaya Shukla

“…The site of binding of Tc-99m-tricarbonyl with tamoxifen was determined by proton nuclear magnetic resonance. The Tc-99m-tamoxifen showed 30% binding with MCF-7 and only 1%-2% receptor binding with MDA-MB-231 cell lines. …”
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Synthesis and Application of UV-curable Phosphorous-containing Acrylated Epoxidized Soybean Oil-based Resins by Yun Hu, Puyou Jia, Qianqian Shang, Meng Zhang, Guodong Feng, Chengguo Liu, Yonghong Zhou

“…The chemical structure was characterized by Fourier transform infrared spectroscopy (FT-IR), and 1H nuclear magnetic resonance (1H NMR). Subsequently, the viscosity and volumetric shrinkage of the obtained P-AESO resins were studied. …”
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Genetic Deletion of DNAJB3 Using CRISPR-Cas9, Produced Discordant Phenotypes by Shadi Nejat, Kalhara R. Menikdiwela, Aliyah Efotte, Shane Scoggin, Bolormaa Vandanmagsar, Paul J. Thornalley, Mohammed Dehbi, Naima Moustaid-Moussa

“…Body composition was determined monthly by nuclear magnetic resonance (NMR). Following euthanasia, white adipose tissue (WAT) and skeletal muscle were harvested for further analyses. …”
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Mitochondria-Targeting Polymer Micelles in Stepwise Response Releasing Gemcitabine and Destroying the Mitochondria and Nucleus for Combined Antitumor Chemotherapy by Shanming Zhang, Fen Zheng, Kaige Liu, Shengke Liu, Tonghu Xiao, Yabin Zhu, Long Xu

“…In this study, a new mitochondria-targeting pH/ROS dual-responsive block copolymer TPP-PEG2k-<i>b</i>-(BS-AA)_n (P1), untargeted pH/ROS dual-responsive copolymer mPEG2k-<i>b</i>-(BS-AA)_n (P2), pH single-responsive copolymer (mPEG2k-<i>b</i>-(AH-AA)_n (P3), ROS single-responsive copolymer mPEG2k-<i>b</i>-(SA-TG)_n (P4), and non-responsive copolymer mPEG-<i>b</i>-PCL (P5) were constructed. pH/ROS-responsive properties were characterized by proton nuclear magnetic resonance (¹H NMR) and dynamic light scattering (DLS). …”
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Multi-scale pore structure transformation of shale under mixed acid acidification method by Liang Wang, Minxuan Liu, Yuechen Zhao, Xiaoxue Liao, Jing Li, Ziang Zhao, Qingquan Liu

“…The mineral fractions and pore structures of the samples were then analyzed using scanning electron microscopy-energy dispersive spectrometry, X-ray diffraction, low-pressure nitrogen adsorption, and nuclear magnetic resonance. The results showed that by reducing the mineral constituents of shale, the 2–15-nm sized pores decreased, 1–10-μm sized pores increased, and fractal dimensions decreased. …”
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Sequential extraction, structural characterization, and antioxidant activity of polysaccharides from Dendrocalamus brandisii bamboo shoot shell by Xiaowei Peng, Jingjie Liu, Ni Tang, Jia Deng, Can Liu, Huan Kan, Ping Zhao, Xia Zhang, Zhengjun Shi, Yun Liu

“…Both PH1 and PH4 were found to contain 1,4-β-d-Xylp as their main chain, as determined by nuclear magnetic resonance (NMR) spectroscopy. Additional research into CA and SC's antioxidant potential is required since they both showed potent in vitro antioxidant activities.…”
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Interaction of the anion [2-B₁₀H₉O(CH₂)₄O]− with secondary amines by E. Yu. Matveev, S. S. Novikov, V. Ya. Levitskaya, A. I. Nichugovskiy, I. E. Sokolov, K. Yu. Zhizhin, N. T. Kuznetsov

“…The general control of the reactions of the disclosure of cyclic substituents was carried out on the basis of 11B nuclear magnetic resonance (NMR) spectroscopy data. The structure of the obtained derivatives, including the nature of the attached functional groups, was determined using 1H, 13C attached proton test (APT) NMR and infrared (IR) spectroscopy data. …”
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Bioassay-Guided Chemical Study of the Anti-Inflammatory Effect of Senna villosa (Miller) H.S. Irwin &amp; Barneby (Leguminosae) in TPA-Induced Ear Edema by Ana del Carmen Susunaga-Notario, Salud Pérez-Gutiérrez, Miguel Ángel Zavala-Sánchez, Julio Cesar Almanza-Pérez, Atilano Gutiérrez-Carrillo, Daniel Arrieta-Báez, Ana Laura López-López, Rubén Román-Ramos, José Luis Eduardo Flores-Sáenz, Francisco Javier Alarcón-Aguilar

“…It was chemically characterized using mass spectrometry and infrared and nuclear magnetic resonance spectroscopy, resulting in a mixture of three aliphatic esters, which were identified as the principal constituents: hexyl tetradecanoate (C20H40O2), heptyl tetradecanoate (C21H42O2) and octyl tetradecanoate (C22H44O2). …”
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