Circulating ketone bodies and mortality in heart failure: a community cohort study by Rebecca O. Oyetoro, Katherine M. Conners, Jungnam Joo, Sarah Turecamo, Maureen Sampson, Anna Wolska, Alan T. Remaley, James D. Otvos, Margery A. Connelly, Nicholas B. Larson, Suzette J. Bielinski, Maryam Hashemian, Joseph J. Shearer, Véronique L. Roger

“…BackgroundThe relationship between ketone bodies (KB) and mortality in patients with heart failure (HF) syndrome has not been well established.ObjectivesThe aim of this study is to assess the distribution of KB in HF, identify clinical correlates, and examine the associations between plasma KB and all-cause mortality in a population-based HF cohort.MethodsThe plasma KB levels were measured by nuclear magnetic resonance spectroscopy. Multivariable linear regression was used to examine associations between clinical correlates and KB levels. …”
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Production and Characterization of Poly(3-hydroxybutyrate) from <i>Halomonas boliviensis</i> LC1 Cultivated in Hydrolysates of Quinoa Stalks by Diego A. Miranda, Katherine Marín, Ola Sundman, Mattias Hedenström, Jorge Quillaguaman, András Gorzsás, Markus Broström, Markus Carlborg, Jenny Lundqvist, Luis Romero-Soto, Leif J. Jönsson, Cristhian Carrasco, Carlos Martín

“…The produced PHBs were characterized using advanced analytical techniques, such as high-performance size-exclusion chromatography (HPSEC), Fourier transform infrared (FTIR) spectroscopy, ¹H nuclear magnetic resonance (NMR) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). …”
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Thermotropic Liquid-Crystalline and Light-Emitting Properties of Bis(4-aalkoxyphenyl) Viologen Bis(triflimide) Salts by Pradip K. Bhowmik, Muhammed Kareem M. Al-Karawi, Shane T. Killarney, Erenz J. Dizon, Anthony Chang, Jongin Kim, Si L. Chen, Ronald Carlo G. Principe, Andy Ho, Haesook Han, Hari D. Mandal, Raymond G. Cortez, Bryan Gutierrez, Klarissa Mendez, Lewis Sharpnack, Deña M. Agra-Kooijman, Michael R. Fisch, Satyendra Kumar

“…Their chemical structures were characterized by ¹H and ¹³C nuclear magnetic resonance spectra and elemental analysis. Their thermotropic liquid-crystalline (LC) properties were examined by differential scanning calorimetry, polarizing optical microscopy, and variable temperature X-ray diffraction. …”
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Improved Route to Linear Triblock Copolymers by Coupling with Glycidyl Ether-Activated Poly(ethylene oxide) Chains by Daniel T. Krause, Susanna Krämer, Vassilios Siozios, Andreas J. Butzelaar, Martin Dulle, Beate Förster, Patrick Theato, Joachim Mayer, Martin Winter, Stephan Förster, Hans-Dieter Wiemhöfer, Mariano Grünebaum

“…The successful quantitative end group modification of the PEO_z block was verified by nuclear magnetic resonance (NMR) spectroscopy, gel permeation chromatography (GPC) and differential scanning calorimetry (DSC). …”
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Moisture Distribution and Migration of Preserved Strawberries During Hot Air Drying at Constant and Gradient Temperature by Rongrong HE, Liying NIU, Dajing LI, Lili HU, Rui WANG, Zhongyuan ZHANG, Chunju LIU, Yadong XIAO, Meimei NIE, Lixia XIAO

“…In order to discover the moisture distribution and migration during the drying process of strawberries at constant or gradient temperatures and the effect on the quality of dried strawberries, the strawberries which had experienced osmotic dehydration were dried under constant temperatures (60 °C-12 h, flip it over when dry to 6 h) and gradient temperature (65 °C-2 h, 60 °C-2 h, 55 °C-2 h, flip it over, 65 °C-2 h，60 °C-2 h，55 °C-2 h) during hot air drying. Low-field nuclear magnetic resonance (LF-NMR) was used and the physicochemical (texture, VC, total phenols) and sensory qualities (flavor, texture, taste, color) of the preserved strawberries obtained by the two drying programs were compared. …”
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Bacterial volatile organic compounds (VOCs) promote growth and induce metabolic changes in rice by Octávio Augusto Costa Almeida, Octávio Augusto Costa Almeida, Natália Oliveira de Araujo, Natália Oliveira de Araujo, Aline Tieppo Nogueira Mulato, Aline Tieppo Nogueira Mulato, Gabriela Felix Persinoti, Maurício Luís Sforça, Maria Juliana Calderan-Rodrigues, Juliana Velasco de Castro Oliveira, Juliana Velasco de Castro Oliveira

“…Metabolic profiles of the plants co-cultivated with these isolates and controls (without bacteria and non-promoter bacteria—1003-S-C1) were investigated via1H nuclear magnetic resonance. The analysis identified metabolites (e.g., amino acids, sugars, and others) with differential abundance between treatments that might play a role in metabolic pathways, such as protein synthesis, signaling, photosynthesis, energy metabolism, and nitrogen assimilation, involved in rice growth promotion. …”
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Extraction of Alkaloids Using Ultrasound from Pulp and By-Products of Soursop Fruit (<i>Annona</i> <i>muricata</i> L.) by Gabriela Aguilar-Hernández, Luis Gerardo Zepeda-Vallejo, María de Lourdes García-Magaña, María de los Ángeles Vivar-Vera, Alejandro Pérez-Larios, Manuel I. Girón-Pérez, Ana Velia Coria-Tellez, Cristian Rodríguez-Aguayo, Efigenia Montalvo-González

“…The structural characterization of the raw material with the highest TALC was developed using nuclear magnetic resonance (NMR) techniques [¹H, ¹³C, heteronuclear single quantum correlation (HSQC), heteronuclear multiple bond correlation (HMBC), and homonuclear correlation spectroscopy (COSY)]. …”
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Serum Paraoxonase-1-Related Variables and Lipoprotein Profile in Patients with Lung or Head and Neck Cancer: Effect of Radiotherapy by Elisabet Rodríguez-Tomàs, Mauricio Murcia, Meritxell Arenas, Mònica Arguís, Miriam Gil, Núria Amigó, Xavier Correig, Laura Torres, Sebastià Sabater, Gerard Baiges-Gayà, Noemí Cabré, Fedra Luciano-Mateo, Anna Hernández-Aguilera, Isabel Fort-Gallifa, Jordi Camps, Jorge Joven

“…We investigated alterations in the levels of the antioxidant paraoxonase-1 (PON1) and the lipoprotein profile (analyzed by nuclear magnetic resonance) in patients with lung cancer (LC) or head and neck cancer (HNC), and the effects produced thereon by radiotherapy (RT). …”
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A Novel Cryptic Clostridial Peptide That Kills Bacteria by a Cell Membrane Permeabilization Mechanism by Monika Szadkowska, Michal Olewniczak, Anna Kloska, Elzbieta Jankowska, Malgorzata Kapusta, Bartosz Rybak, Dariusz Wyrzykowski, Wioletta Zmudzinska, Artur Gieldon, Aleksandra Kocot, Anna-Karina Kaczorowska, Lukasz Nierzwicki, Joanna Makowska, Tadeusz Kaczorowski, Magdalena Plotka

“…The activity of Intestinalin is combined with both no cytotoxicity and little hemolytic effect against mammalian cells. The nuclear magnetic resonance and molecular dynamics (MD) data show a high tendency of Intestinalin to interact with the bacterial phospholipid cell membrane. …”
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A New Flavanone from <i>Chromolaena tacotana</i> (Klatt) R. M. King and H. Rob, Promotes Apoptosis in Human Breast Cancer Cells by Downregulating Antiapoptotic Proteins by Gina Mendez-Callejas, Ruben Torrenegra, Diego Muñoz, Crispin Celis, Michael Roso, Jojhan Garzon, Ferney Beltran, Andres Cardenas

“…In this study, a novel flavanone (3′,4′-dihydroxy-5,7-dimethoxy-flavanone) was isolated from the plant leaves and identified by nuclear magnetic resonance (NMR) and mass spectrometry (MS). …”
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Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy by Lei Wang, Jia Gao, Rongsheng Ma, Yaqian Liu, Mingqing Liu, Fumei Zhong, Jie Hu, Shuju Li, Jihui Wu, Hualiang Jiang, Jiahai Zhang, Ke Ruan

“…Considerable developments have been observed in fragment-based lead/drug discovery (FBLD/FBDD) recently, with four drugs approved and many others under investigation. Nuclear magnetic resonance (NMR) has gained increasing popularity in FBLD due to its intrinsic capability in characterizing protein-ligand interactions in a large dynamic range of affinity, from weak hits to highly potent drugs. …”
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Antioxidant and Anti-Proliferative Properties of <i>Hagenia abyssinica</i> Roots and Their Potentially Active Components by Minxia Fan, Guilin Chen, Yongli Zhang, Lutfun Nahar, Satyajit Dey Sarker, Guangwan Hu, Mingquan Guo

“…The present study intended to screen and evaluate the antioxidant and anti-proliferative properties of five different fractions from <i>H. abyssinica</i> along with their corresponding total flavonoid and phenolic contents and then further identify those compounds with the most potent antioxidant and anti-proliferative activities using high performance liquid chromatography (HPLC) coupled to mass spectrometry (MS) and nuclear magnetic resonance (NMR). The total flavonoid and phenolic content assays showed that the ethyl acetate (EA) fraction of <i>H. abyssinica</i> had higher flavonoid and phenolic levels than the other four fractions. …”
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Novel Polyelectrolytes Obtained by Direct Alkylation and Ion Replacement of a New Aromatic Polyamide Copolymer Bearing Pyridinyl Pendant Groups by Sebastián Bonardd, Alejandro Ángel, Ángel Norambuena, Deysma Coll, Alain Tundidor-Camba, Pablo A. Ortiz

“…The structural characterization of the initial neutral co-polyamide was carried out by means of infrared spectroscopy (FT-IR), nuclear magnetic resonance (¹H, ¹³C-NMR), and size-exclusion chromatography (SEC), while the structure of methylated and ethylated polyelectrolytes was successfully confirmed through FT-IR, ¹H, ¹³C, and ¹⁹F-NMR. …”
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Metabolomics and modelling approaches for systems metabolic engineering by Jasmeet Kaur Khanijou, Hanna Kulyk, Cécilia Bergès, Leng Wei Khoo, Pnelope Ng, Hock Chuan Yeo, Mohamed Helmy, Floriant Bellvert, Wee Chew, Kumar Selvarajoo

“…Metabolomics involves the quantitation of intracellular and extracellular metabolites, where mass spectrometry and nuclear magnetic resonance based analytical instrumentation are often used. …”
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Soluble organic matter Molecular atlas of Ryugu reveals cold hydrothermalism on C-type asteroid parent body by Philippe Schmitt-Kopplin, Norbert Hertkorn, Mourad Harir, Franco Moritz, Marianna Lucio, Lydie Bonal, Eric Quirico, Yoshinori Takano, Jason P. Dworkin, Hiroshi Naraoka, Shogo Tachibana, Tomoki Nakamura, Takaaki Noguchi, Ryuji Okazaki, Hikaru Yabuta, Hisayoshi Yurimoto, Kanako Sakamoto, Toru Yada, Masahiro Nishimura, Aiko Nakato, Akiko Miyazaki, Kasumi Yogata, Masanao Abe, Tomohiro Usui, Makoto Yoshikawa, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Satoru Nakazawa, Tatsuaki Okada, Sei-ichiro Watanabe, Yuichi Tsuda, Hayabusa2-initial-analysis SOM team

“…Sequential solvent extracts of increasing polarity of Ryugu samples are analyzed using mass spectrometry with complementary ionization methods and structural information confirmed by nuclear magnetic resonance spectroscopy. Here we show a continuum in the molecular size and polarity, and no organomagnesium molecules are detected, reflecting a low temperature and water-rich environment on the parent body approving earlier mineralogical and chemical data. …”
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<i>Bacillus subtilis</i>: As an Efficient Bacterial Strain for the Reclamation of Water Loaded with Textile Azo Dye, Orange II by Muhammad Ikram, Mohammad Naeem, Muhammad Zahoor, Marlia Mohd Hanafiah, Adeleke Abdulrahman Oyekanmi, Noor Ul Islam, Midrar Ullah, Mater H. Mahnashi, Amer Al Ali, Naif A. Jalal, Farkad Bantun, Aiman M. Momenah, Abdul Sadiq

“…To understand the underlying principles of degradation of the metabolites in the aliquot mixture at the optimized condition, the study steps were extracted and analyzed using GC-MS(Gas Chromatography Mass Spectrometry), FTIR(Fourier Transform Infrared Spectroscopy), ¹H and carbon 13 NMR(Nuclear Magnetic Resonance Spectroscopy). The GC-MS pattern revealed that the original dye was degraded into o-xylene and naphthalene. …”
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Formulation of pH-Responsive Quatsomes from Quaternary Bicephalic Surfactants and Cholesterol for Enhanced Delivery of Vancomycin against Methicillin Resistant <i>Staphylococcus au... by Daniel Hassan, Calvin A. Omolo, Victoria Oluwaseun Fasiku, Ahmed A Elrashedy, Chunderika Mocktar, Bongani Nkambule, Mahmoud E. S. Soliman, Thirumala Govender

“…The surfactant structure was confirmed using ¹H, ¹³C nuclear magnetic resonance (NMR), Fourier-transform infrared spectroscopy (FT-IR), and high-resolution mass spectrometry (HRMS). …”
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GC-MS- and NMR-Based Metabolomics and Molecular Docking Reveal the Potential Alpha-Glucosidase Inhibitors from <em>Psychotria malayana</em> Jack Leaves by Tanzina Sharmin Nipun, Alfi Khatib, Zalikha Ibrahim, Qamar Uddin Ahmed, Irna Elina Redzwan, Riesta Primaharinastiti, Mohd Zuwairi Saiman, Raudah Fairuza, Tri Dewanti Widyaningsih, Mohamed F. AlAjmi, Shaden A. M. Khalifa, Hesham R. El-Seedi

“…Thus, this study aimed to identify putative inhibitors of α-glucosidase, a prominent enzyme contributing to diabetes type 2 in <i>P. malayana</i> leaf extract using gas chromatography-mass spectrometry (GC-MS)- and nuclear magnetic resonance (NMR)-based metabolomics, and to investigate the molecular interaction between those inhibitors and the enzyme through in silico approach. …”
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Tandocyclinones A and B, Ether Bridged <i>C</i>-Glycosyl Benz[<i>a</i>]anthracenes from an Intertidal Zone <i>Streptomyces</i> sp. by Thanh-Hau Huynh, Eun Seo Bae, Bo Eun Heo, Jayho Lee, Joon Soo An, Yun Kwon, Sang-Jip Nam, Ki-Bong Oh, Jichan Jang, Sang Kook Lee, Dong-Chan Oh

“…The structures of <b>1</b> and <b>2</b> were elucidated as new ether-bridged <i>C</i>-glycosyl benz[<i>a</i>]anthracenes by using a combination of spectroscopic analyses of ultraviolet (UV) and mass spectrometry (MS) data, along with nuclear magnetic resonance (NMR) spectra, which were acquired in tetrahydrofuran (THF)-<i>d</i>₈ selected after an extensive search for a solvent, resulting in mostly observable exchangeable protons in the ¹H NMR spectrum. …”
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Pollution source and chemicals structure of the water-soluble fractions in PM2.5 that induce apoptosis in China by Huimin Ma, Wenjing Chen, Qianyu Zhang, Cong Wan, Yangzhi Mo, Fei Liu, Guanghui Dong, Xiaowen Zeng, Duohong Chen, Zhiqiang Yu, Jun Li, Gan Zhang

“…Organic carbon structures were examined using nuclear magnetic resonance; air potential sources were identified using δ13C and 14C isotopic markers. …”
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