In Vitro Antibacterial, Antioxidant, Cytotoxicity Activity, and In Silico Molecular Modelling of Compounds Isolated from Roots of Hydnora johannis by Teshome Degfie, Milkyas Endale, Muhdin Aliye, Rajalakshmanan Eswaramoorthy, Tariku Nefo Duke, Aman Dekebo

“…Analyzing phytochemical composition of dichloromethane/methanol (1 : 1) root part of Hydnora johannis gave oleic acid (1), caffeic acid-2-hydroxynonylester (2), catechin (3), and a pregnane derivative (4). NMR spectroscopy was used to characterize compounds 1–3, while compound 4 was identified through GC-MS analysis and literature comparison. …”
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Improving 10-year cardiovascular risk prediction in patients with type 2 diabetes with metabolomics by Ruijie Xie, Teresa Seum, Sha Sha, Kira Trares, Bernd Holleczek, Hermann Brenner, Ben Schöttker

“…A total of 249 metabolites were measured with nuclear magnetic resonance (NMR) spectroscopy. Sex-specific LASSO regression with bootstrapping identified significant metabolites. …”
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Phenols from Vaccinium dunalianum Wight: Secondary Mass Spectrometry Fragmentation and Neuroprotective Effect by ZHOU Tang, WANG Ji, QIAO Wenhao, LIN Zhiqi, ZHU Hongbo, CHANG Yue, HU Weiyan, ZHANG Rongping, CHEN Xinglong

“…In order to elucidate the health efficacy of Vaccinium dunalianum buds as a tea substitute and to reveal the material basis for its functionality, we studied the chemical constituents of V. dunalianum buds by using separation materials such as silica gel, MICHP-20p gel, Sephadex LH-20, and RP-18 combined with preparative and semi-preparative high performance liquid chromatography (HPLC), high-resolution mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. Totally 16 phenolic compounds were isolated and identified from the water extract of V. dunalianum buds, including seven arbutins, four flavonoids, two lignansand, and three other phenolic compounds, among which compounds 2–5, 7, and 11–16 were isolated from the Vaccinium genus for the first time. …”
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Urine metabolic profile in rats with arterial hypertension of different genesis by A. A. Sorokoumova, A. A. Seryapina, Yu. K. Polityko, L. V. Yanshole, Yu. P. Tsentalovich, М. А. Gilinsky, А. L. Markel

“…WAG rats were used as normotensive controls. 24-hour urine samples were collected from all animals and analyzed by quantitative NMR spectroscopy for metabolic profiling. Then, potential metabolomic markers for the studied forms of hypertensive conditions were identified using multivariate statistics. …”
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REVIEW ON PROTEIN FOOTPRINTING AS A TOOL IN STRUCTURAL BIOLOGY by Oluwatosin Ogundairo, Oluwatoyin Ayo-Farai, Chinedu Paschal Maduka, Chiamaka Chinaemelum Okongwu, Abdulraheem Olaide Babarinde, Olamide Sodamade

“…Furthermore, the integration of protein footprinting with other structural biology techniques, such as X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy, is explored to showcase the complementary nature of these approaches in achieving a comprehensive understanding of protein structure and function. …”
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Potential of Co(II) and Cd(II) chelates of N′-(3-fluorobenzoyl)benzo[d]thiazole-2-carbohydrazide: Structural aspects, binding interactions, biological and molecular docking studies... by K. Srilaxmi, B. Sireesha

“…N′-(3-fluorobenzoyl)benzo[d]thiazole-2-carbohydrazide (MFBBTCH, HL) and its chelates with Co(II) and Cd(II) have been synthesized and characterized by elemental analyses, liquid chromatography-mass spectrometry (LC-MS), Fourier Transform Infrared Spectroscopy (FT-IR), ultra-violet visible (UV–vis), nuclear magnetic resonance (NMR) spectroscopy, thermogravimetric analysis (TGA) and conductivity measurements. …”
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Stable Isotope-Resolved Metabolomic Differences between Hormone-Responsive and Triple-Negative Breast Cancer Cell Lines by Jason H. Winnike, Delisha A. Stewart, Wimal W. Pathmasiri, Susan L. McRitchie, Susan J. Sumner

“…Conditioned media and cellular extracts were analyzed by 1H and 13C NMR spectroscopy. Results. MCF-7 cells consumed the most glucose, producing the most lactate, demonstrating the greatest Warburg effect-associated energy utilization. …”
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Recombinant production platform for Group A Streptococcus glycoconjugate vaccines by Sowmya Ajay Castro, Ian J. Passmore, Didier Ndeh, Helen Alexandra Shaw, Alessandro Ruda, Keira Burns, Sarah Thomson, Rupa Nagar, Kathirvel Alagesan, Mark Reglinski, Kieron Lucas, Sherif Abouelhadid, Ulrich Schwarz-Linek, Fatme Mawas, Göran Widmalm, Brendan W. Wren, Helge C. Dorfmueller

“…The structural integrity of the produced recombinant glycoconjugate vaccines was confirmed by Nuclear Magnetic Resonance (NMR) spectroscopy and mass spectrometry. Purified RhaPS glycoconjugates elicited carbohydrate-specific antibodies in mice and rabbits and bound to the surface of multiple Strep A strains of diverse M-types, confirming the recombinantly produced RhaPS glycoconjugates as valuable vaccine candidates.…”
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New Plastitar Record for the Mediterranean Sea: Characterization of Plastics and Tar from the Salento Peninsula (Ionian Sea) by Silvia Fraissinet, Emanuele Mancini, Chiara Funiati, Caterina Martino, Giuseppe Egidio De Benedetto, Chiara Roberta Girelli, Francesco Paolo Fanizzi, Genuario Belmonte, Stefano Piraino

“…Here, the composition of the 11 plastitar blocks collected on the Ionian side of the Apulia region (Italy) was characterized both in tar and plastics using nuclear magnetic resonance (NMR) spectroscopy and Fourier transform infrared (FTIR) spectroscopy, respectively. …”
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Polymer-Free Electrospinning of β-Cyclodextrin–Oligolactide for Magnolol and Honokiol Pharmaceutical Formulations by Diana-Andreea Blaj, Catalina A. Peptu, Mihaela Balan-Porcarasu, Cristian Peptu, Cristina Gabriela Tuchilus, Lacramioara Ochiuz

“…The morphology of the resulting fibers is established by SEM and further characterized using FTIR and NMR spectroscopy to confirm the successful incorporation of MG and HK. …”
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Hydrolysis of Methionine- and Histidine-Containing Peptides Promoted by Dinuclear Platinum(II) Complexes with Benzodiazines as Bridging Ligands: Influence of Ligand Structure on th... by Snežana Rajković, Beata Warżajtis, Marija D. Živković, Biljana Đ. Glišić, Urszula Rychlewska, Miloš I. Djuran

“…The chlorido Pt(II) complexes 1–3 were converted into the corresponding aqua species 1a–3a, and their reactions with an equimolar amount of Ac–L–Met–Gly and Ac–L–His–Gly dipeptides were studied by 1H NMR spectroscopy in the pH range 2.0 < pH < 2.5 at 37°C. …”
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Metabolic profile of blood serum in experimental arterial hypertension by A. A. Seryapina, A. A. Malyavko, Yu. K. Polityko, L. V. Yanshole, Yu. P. Tsentalovich, A. L. Markel

“…Using the method of nuclear magnetic resonance spectroscopy (NMR spectroscopy), 56 metabolites in blood serum samples were identified, 18 of which were shown to have significant interstrain differences in serum concentrations. …”
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Anxiety and neurometabolite levels in the hippocampus and amygdala after prolonged exposure to predator-scent stress by O. B. Shevelev, V. E. Tseilikman, N. V. Khotskin, А. S. Khotskina, G. V. Kontsevaya, M. S. Lapshin, M. P. Moshkin, M. V. Komelkova, I. V. Feklicheva, O. B. Tseilikman, E. B. Manukhina, H. F Downey, E. L. Zavjalov

“…Using the method of in vivo NMR spectroscopy, the content of neurometabolites was determined in the hippocampus and in the amygdala. …”
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Polyp and tumor microenvironment reprogramming in colorectal cancer: insights from mucosal bacteriome and metabolite crosstalk by Hadi Feizi, Hossein Samadi Kafil, Andrey Plotnikov, Vladimir Kataev, Alexander Balkin, Ekaterina Filonchikova, Mohammad Ahangarzadeh Rezaee, Reza Ghotaslou, Mohammad Sadrkabir, Hiva Kadkhoda, Fadhil S. Kamounah, Sergei Nikitin

“…Methods Sixty samples including healthy (H), adenomatous polyps (AP), adenomatous polyps-adjacent (APA), cancer tumor (CT), and cancer tumor-adjacent (CA) tissues were collected and analyzed by 16 S rRNA sequencing and 1H NMR spectroscopy. Results Our results revealed that the bacteriome and metabolites of the H, AP, and CT groups were significantly different. …”
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A Novel and Highly Regioselective Synthesis of New Carbamoylcarboxylic Acids from Dianhydrides by Adrián Ochoa-Terán, Jesús Estrada-Manjarrez, Marisela Martínez-Quiroz, Marco A. Landey-Álvarez, Eleazar Alcántar Zavala, Georgina Pina-Luis, Hisila Santacruz Ortega, Luis Enrique Gómez-Pineda, José-Zeferino Ramírez, Daniel Chávez, Julio Montes Ávila, Victoria Labastida-Galván, Mario Ordoñez

“…The chemo- and regioselectivity of products derived from dianhydrides were determined by NMR spectroscopy and confirmed by density functional theory (DFT). …”
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Synthesis and Pesticidal Activities of 5-(2-Cyclopropylaminopyrimidin-4-yl)-4-(thiophenyl)thiazole Derivatives by Won-Sik Choi, Seok-Woo Nam, Il-Doo Kim, Seung-Han Kim, Kun-Ho Park, In-Kyung Bae, Eun-Sil Park, Hwang-Ju Jeon, Sung-Eun Lee

“…Compounds designated as XIII-6~XV-7 were newly synthesized and their structures were confirmed by 1H- and 13C-NMR spectroscopy. Mosquito larvicidal activities of all the synthesized compounds against C. pipiens pallens were examined and Comp I among them showed the strongest larvicidal activity as 0.513 mM of LC50 value. …”
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Comprehensive characterization of higher order structure changes in methionine oxidized monoclonal antibodies via NMR chemometric analysis and biophysical approaches by Mingyue Li, Victor A. Beaumont, Shahajahan Akbar, Hannah Duncan, Arch Creasy, Wenge Wang, Kelly Sackett, Lisa Marzilli, Jason C. Rouse, Hai-Young Kim

“…In this study, we applied one- and two-dimensional (1D and 2D) nuclear magnetic resonance (NMR) spectroscopy coupled with chemometric analysis, as well as circular dichroism (CD), differential scanning calorimetry (DSC), and fluorescence spectroscopy as orthogonal methods, to characterize the impact of methionine (Met) oxidation on the HOS of an IgG1 mAb. …”
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Studying Alzheimer’s disease through an integrative serum metabolomic and lipoproteomic approach by Alessia Vignoli, Giovanni Bellomo, Federico Paolini Paoletti, Claudio Luchinat, Leonardo Tenori, Lucilla Parnetti

“…Methods This pilot study proposes a serum investigation via nuclear magnetic resonance (NMR) spectroscopy in a consecutive series of AD patients including 57 patients affected by Alzheimer’s disease at dementia stage (AD-dem) and 45 patients with mild cognitive impairment (MCI) due to AD (MCI-AD). …”
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Structure of a Sulfated Capsular Polysaccharide from the Marine Bacterium <i>Cobetia marina</i> KMM 1449 and a Genomic Insight into Its Biosynthesis by Maxim S. Kokoulin, Yulia V. Savicheva, Alina P. Filshtein, Ludmila A. Romanenko, Marina P. Isaeva

“…The CPS was isolated by saline solution, purified by a series of chromatographic procedures, and studied by chemical methods along with 1D and 2D ¹H and ¹³C NMR spectroscopy. The following new structure of the CPS from <i>C. marina</i> KMM 1449 was established and consisted of sulfated and simultaneously phosphorylated disaccharide repeating units: →4)-α-L-Rha<i>p</i>2S-(1→3)-β-D-Man<i>p</i>6PGro-(1→. …”
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Synthesis, Characterization, and Catalytic Studies of Mn(III)-Schiff Base-Dicyanamide Complexes: Checking the Rhombicity Effect in Peroxidase Studies by Manuel R. Bermejo, Rocío Carballido, M. Isabel Fernández-García, Ana M. González-Noya, Gustavo González-Riopedre, Marcelino Maneiro, Laura Rodríguez-Silva

“…The organic compounds H2L1 and H2L2 have been characterized by elemental analysis, IR, 1H and 13C NMR spectroscopies and mass spectrometry electrospray (ES). …”
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