Synthesis and Advanced NMR Characterization of Ordered 3D Reticular Materials with PolySilicate Nodes and Hydrophobic OrganoSilicone Linkers by Jelle Jamoul, Sambhu Radhakrishnan, Maarten Houlleberghs, C. Vinod Chandran, Aline Vits, Pasquinel Weckx, Sam Smet, Daniel Arenas Esteban, Sara Bals, Johan A. Martens, Eric Breynaert

“…Advanced solid-state NMR spectroscopy allowed us to unravel the molecular order of the nodes and their interconnection by the silicone linkers. …”
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Endophytic Fungi of <i>Calea pinnatifida</i> (Asteraceae): Dereplication of Crude Extracts, Antimicrobial Properties, and Identification of New Tetronic Acid Derivative Produced by... by Bianca Barna, Lhaís Araújo Caldas, Jackson Monteiro, Augusto Leonardo dos Santos, Renata Castiglioni Pascon, Marcelo Afonso Vallim, Marcelo José Pena Ferreira, Sarah Santos Gonçalves, Glaucia Queiroz dos Santos, Anderson Messias Rodrigues, Jamile Ambrósio de Carvalho, Suzan Pantaroto de Vasconcellos, Patricia Sartorelli

“…Notably, from the extract of <i>Hypomontagnella barbarensis</i>, two pairs of diastereoisomeric acyl-tetronic acid derivatives were isolated and characterized using MS and NMR spectroscopy. This study highlights the potential of endophytic fungi as a valuable source of novel antimicrobial agents.…”
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Exploring the anticancer potential of extracts and compounds from the heartwood of Cotinus coggygria Scop. wild growing in Serbia by Ivana Pašić, Miroslav Novaković, Vele Tešević, Slobodan Milosavljević, Nina Petrović, Tatjana Stanojković, Ivana Z. Matić

“…Structure elucidation was performed using NMR spectroscopy. Cytotoxicity was evaluated using MTT assay. …”
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Design, synthesis, SAR and ADMET analyses of the novel class of synthetic 7-amino[1,2,5]oxadiazolo[3,4-b]pyridine-6-carboxylate derivatives with vasorelaxant activity by Anatolii Varenyk, Roman Vydzhak, Svitlana Panchishin, Irina Ivanova, Victor Zhirnov, Volodymyr Brovarets

“…A twenty six 7-amino[1,2,5]oxadiazolo[3,4-b]pyridine-6-carboxylate (7-aminofurazano[3,4-b]pyridine-6-carboxylate) derivatives have been synthesized and characterized by IR, 1H NMR, 13C NMR spectroscopy, elemental analysis and LC-MS. The potential vasodilator activity of the synthesized compounds was assessed for their ability to induce relaxation of phenylephrine-precontracted isolated rat aortic segments. …”
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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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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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Unveiling Silent Atherosclerosis in Type 1 Diabetes: The Role of Glycoprotein and Lipoprotein Lipidomics, and Cardiac Autonomic Neuropathy by Sara de Lope Quiñones, Manuel Luque-Ramírez, Antonio Carlos Michael Fernández, Alejandra Quintero Tobar, Jhonatan Quiñones-Silva, María Ángeles Martínez García, María Insenser Nieto, Beatriz Dorado Avendaño, Héctor F. Escobar-Morreale, Lía Nattero-Chávez

“…Serum glycoprotein and lipoprotein lipidomics profiles were determined using ¹H-NMR spectroscopy. Subclinical atherosclerosis was defined as carotid intima-media thickness (cIMT) ≥ 1.5 mm. …”
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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. Each technique was coupled with a specific extraction procedure and evaluated for three soils with different textures and organic carbon contents, amended with eight types of large MiPs (0.5–1 mm) – high- and low-density polyethylene (HDPE and LDPE), polypropylene (PP), polystyrene (PS), polyamide (PA), polyethylene terephthalate (PET), polyvinyl chloride (PVC), and a biodegradable mulch film product composed of polybutylene adipate-co-terephthalate/ polylactic acid (PBAT/ PLA). …”
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Comparative Structural and Biophysical Investigation of <i>Lycosa erythrognatha</i> Toxin I (LyeTx I) and Its Analog LyeTx I-b by Amanda Neves de Souza, Gabriele de Azevedo Cardoso, Lúcio Otávio Nunes, Christopher Aisenbrey, Evgeniy Salnikov, Kelton Rodrigues de Souza, Ahmad Saad, Maria Elena de Lima, Jarbas Magalhães Resende, Burkhard Bechinger, Rodrigo Moreira Verly

“…Both peptides were isotopically labeled with ²H₃-Ala and ¹⁵N-Leu to facilitate structural studies via NMR spectroscopy. <b>Results:</b> Circular dichroism and solid-state NMR analyses revealed that, while both peptides adopt α-helical conformations in membrane mimetic environments, LyeTx I-b exhibits a more amphipathic and extended helical structure, which correlates with its enhanced membrane interaction. …”
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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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Studies on Hydrogenation of Liquid Natural Rubber Using Diimide by Nur Hanis Adila Azhar, Naharullah Jamaluddin, Hamizah Md Rasid, Muhammad Jefri Mohd Yusof, Siti Fairus M. Yusoff

“…The LNR and HLNR structures were characterized by Fourier-transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopies. The percentage of hydrogenation was calculated from NMR spectrum. …”
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Effects of chromophore interaction in the spectroscopy of ketocyanine dyes with a central pyranone or pyridone fragment by Ludmila A. Shvedova, Alexander S. Tatikolov, Vladimir I. Sklyarenko, Zhanna A. Krasnaya

“…The study is devoted to investigation of a number of ketocyanine dyes (polyenic ω,ω′-bisaminoketones) with a central pyranone or pyridone fragment and respective polymethine salts by UV-VIS absorption and NMR spectroscopies. It was found that replacement of bridging O atom with NMe group suppresses the chromophore interaction in the cross-conjugated ketone and corresponding tridecamethine salt. …”
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Enhancing water solubility of phytosterols through Co-amorphization with food-grade coformers by Yuxin Li, Yingting Luo, Xuening Song, Yuzhuo Wang, Simiao Liu, Fazheng Ren, Lingyan Kong, Hao Zhang

“…Fourier-transform infrared, Raman, and 1H NMR spectroscopies, along with molecular dynamics simulations, revealed strong intermolecular interactions between PS and Nic. …”
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Syntheses, Characterization, and Antimicrobial Screening of N-(benzothiazol-2-yl)benzenesulphonamide and its Cu(I), Ni(II), Mn(II), Co(II), and Zn(II) Complexes by N. L. Obasi, Okoye C. O. Benedict, P. O. Ukoha, A. O. Anaga

“…The compounds were characterized using magnetic susceptibility measurements, UV/VIS spectrophotometry, infra red, proton and 13C nmr spectroscopies. The antimicrobial tests of the ligands and its metal complexes were carried out on both multi-resistant bacterial strains isolated under clinical conditions and cultured species using agar-well diffusion method. …”
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Anti-breast cancer activity of some novel quinoline derivatives by Ghorab Mostafa M., Alsaid Mansour S.

“…The structures of the newly synthesized compounds were confirmed by elemental analyses, IR, 1H NMR and 13C NMR spectroscopies. In addition, the structure of compound 1 was confirmed through X-ray crystallography. …”
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Isolation, purification, structural characteristic and antioxidative property of polysaccharides from A. cepa L. var. agrogatum Don by Hongcheng Liu, Hongxiu Fan, Jing Zhang, Shanshan Zhang, Wenting Zhao, Tingting Liu, Dawei Wang

“…The monosaccharide composition, structural and antioxidative properties of ALAP-21 were investigated by GC–MS chromatography, FT-IR and NMR spectroscopies and three antioxidative activity tests in vitro. …”
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Ruthenium(II) Complex with 1-Hydroxy-9,10-Anthraquinone Inhibits Cell Cycle Progression at G0/G1 and Induces Apoptosis in Melanoma Cells by Júlia S. M. Dias, Guilherme A. Ferreira-Silva, Rommel B. Viana, João H. de Araujo Neto, Javier Ellena, Rodrigo S. Corrêa, Marília I. F. Barbosa, Marisa Ionta, Antônio C. Doriguetto

“…Methods: The complexes were characterized by infrared (IR), UV–vis, ¹H, ¹³C{¹H}, and ³¹P{¹H} NMR spectroscopies, molar conductivity, cyclic voltammetry, and elemental analysis. …”
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Synthesis, Characterization, and Cytotoxic Activity of New Lanthanum(III) Complexes of Bis-Coumarins

“…The lanthanum(III) complexes with bis-coumarins were characterized by different physicochemical methods&#8212;elemental analysis, IR-, <mml:math alttext="$chem{{}^{1}H}$"> <mml:msup> <mml:mi></mml:mi> <mml:mn>1</mml:mn> </mml:msup> <mml:mtext>H</mml:mtext> </mml:math>-, and <mml:math alttext="$chem{{}^{13}C}$"> <mml:msup> <mml:mi></mml:mi> <mml:mrow> <mml:mn>13</mml:mn> </mml:mrow> </mml:msup> <mml:mtext>C</mml:mtext> </mml:math>-NMR-spectroscopies, and mass spectral data. The spectral data of lanthanum(III) complexes were interpreted on the basis of comparison with the spectra of the free ligands. …”
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