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. …”
Get full text

Model Analytical Development for Physical, Chemical, and Biological Characterization of Momordica charantia Vegetable Drug by Deysiane Oliveira Brandão, Geovani Pereira Guimarães, Ravely Lucena Santos, Fernando José de Lima Ramos Júnior, Karla Monik Alves da Silva, Fabio Santos de Souza, Rui Oliveira Macêdo

“…The herbal medicine raw material derived from the leaves and fruits in different particle sizes was analyzed using thermoanalytical techniques as thermogravimetry (TG) and differential thermal analysis (DTA), pyrolysis coupled to gas chromatography/mass spectrometry (PYR-GC/MS), and nuclear magnetic resonance (1H NMR), in addition to the determination of antimicrobial activity. …”
Get full text

Investigation of 4-Nitro-N, N-diphenylaniline as a chemical tracer under high pressure high temperature reservoir conditions for enhanced oil recovery applications by Subhadip Maiti, Nishant Kumar Choudhary, Kiran R. Gore, Sandeep D. Kulkarni

“…The purity of the synthesised N-TPA was first confirmed to be greater than 98% based on nuclear magnetic resonance (NMR) analysis. Ultraviolet (UV) and high-performance liquid chromatography (HPLC) techniques were established to measure the ppm-level concentrations of 4-FBA and N-TPA in the standard brine solutions. …”
Get full text

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). …”
Get full text

Use of Autologous Mesenchymal Stem Cells Derived from Bone Marrow for the Treatment of Naturally Injured Spinal Cord in Dogs by Euler Moraes Penha, Cássio Santana Meira, Elisalva Teixeira Guimarães, Marcus Vinícius Pinheiro Mendonça, Faye Alice Gravely, Cláudia Maria Bahia Pinheiro, Taiana Maria Bahia Pinheiro, Stella Maria Barrouin-Melo, Ricardo Ribeiro-dos-Santos, Milena Botelho Pereira Soares

“…The animals were clinically evaluated and examined by nuclear magnetic resonance. Ten days after the surgical procedure and MSC transplantation, we observed a progressive recovery of the panniculus reflex and diminished superficial and deep pain response, although there were still low proprioceptive reflexes in addition to a hyperreflex in the ataxic hind limb movement responses. …”
Get full text

Dielectric spectroscopy and TD-NMR investigation for assessing water solid dynamics in normal and wooden breast chicken by Francesca Soglia, Eleonora Iaccheri, Luca Laghi, Luigi Ragni, Pedro José Fito Suñer, Massimiliano Petracci

“…Dielectric Spectroscopy (DS) and TimeDomain-Nuclear Magnetic Resonance (TD-NMR) were exploited to investigate water and solid dynamics in chicken's Pectoralis major muscles having macroscopically normal appearance (N) and affected by Wooden Breasts (WB) abnormality. 147 PMM were collected and classified as macroscopically normal (N) (N=74) or Wooden Breast (WB) (N=73) based on their visual appearance and manual palpation. …”
Get full text

The Frequency and Associated Factors of Asymmetrical Prominent Veins: A Predictor of Unfavorable Outcomes in Patients with Acute Ischemic Stroke by Yue Wang, Jingjing Xiao, Li Zhao, Shaoshi Wang, Mingming Wang, Yu Luo, Huazheng Liang, Lingjing Jin

“…The volume of asymmetrical prominent veins (APV) was evaluated using the Signal Processing In nuclear magnetic resonance software (SPIN, Detroit, Michigan, USA). …”
Get full text

Divergent Adsorption Regulation in Metal–Organic Frameworks for Highly Efficient CF4/C2F6 Separation by Guihong Xu, Tian Ke, Rongrong Fan, Kaiyuan Tan, Wenjun Zhang, Baogen Su, Zhiguo Zhang, Zongbi Bao, Qilong Ren, Qiwei Yang

“…Comprehensive insights into the unique separation mechanism are illustrated through a combination of solid‐state MAS nuclear magnetic resonance (SSNMR), molecular simulations, and meticulously designed comparative experiments. …”
Get full text

Association of ultra-processed food-related metabolites with selected biochemical markers in the UK Biobank by Anthony Kityo, Byeonggeun Choi, Jung-Eun Lee, Chulho Kim, Sang-Ah Lee

“…Methods Cross-sectional study within the UK biobank, including a total of 72,817 participants with 24-hour recall dietary data and 134 nuclear magnetic resonance metabolites. UPF and UNPF intakes were evaluated using the NOVA classification, and related metabolites were identified using elastic net penalized regression. …”
Get full text

Ginkgo biloba extract EGb761 mitigates ischemic stroke via metabolic pathway modulation by Xiaoyao Liu, Yuan Tian, Wenhui Xu, Yuxi Wang, Zhen Liu, Yuncheng Ma, Weiling Wang, Jian Gao, Ting Wang

“…Serum metabolites were analyzed using 1H-nuclear magnetic resonance to elucidate the operative mechanism. …”
Get full text

Computational and experimental exploration of morpholine pendent 2-hydrazineyl thiazole: Insights from DFT, ADME profiling, antifungal efficacy and molecular docking analyses by Vishnu A. Adole, I.Antony Danish, J.Jebasingh Kores, J.Winfred Jebaraj, S. Janani, Suresh K. Ghotekar, Rakesh D. Amrutkar

“…Chemical shifts were precisely assigned using Nuclear Magnetic Resonance (NMR) analysis. Furthermore, the ADME analysis predicted favorable pharmacokinetic properties. …”
Get full text

Asparagus officinalis polysaccharide-loaded liposomal gels alleviate skin inflammation via inhibiting the NF-κB/MAPK pathways by Rongrui Zhang, Yu Xiong, Yujin Ma, Yafei Ma, Nuo Li, Yan Ren, Lili He, Lu Han, Jun Ni, Zhi-xiang Yuan

“…WAPS, a pectin polysaccharide, was identified to coexist with α-glycosidic and β-glycosidic linkages glucan and probably has triple-helix confirmation suggested by Fourier-transform infrared and nuclear magnetic resonance spectroscopy. Cellular experiments indicated that WAPS attenuated the expression of inflammatory cytokines and enhanced macrophage viability. …”
Get full text

Lipidic folding pathway of α-Synuclein via a toxic oligomer by Vrinda Sant, Dirk Matthes, Hisham Mazal, Leif Antonschmidt, Franz Wieser, Kumar T. Movellan, Kai Xue, Evgeny Nimerovsky, Marianna Stampolaki, Magdeline Nathan, Dietmar Riedel, Stefan Becker, Vahid Sandoghdar, Bert L. de Groot, Christian Griesinger, Loren B. Andreas

“…Time resolved nuclear magnetic resonance (NMR) measurements uncover a structural reorganization essential for the transition of I1 to mature lipidic L2 fibrils. …”
Get full text

How does the ultrasonic assist CO2 immiscible flooding? by Hengli Wang, Leng Tian, Yanzhong Zhen, Yating Li, Yi Gao, Gaorun Zhong, Kaiqiang Zhang

“…First, the distribution characteristics of residual oil in CO2 immiscible flooding were examined using high pressure mercury injection (HPMI), nuclear magnetic resonance (NMR), and microscopic visualization displacement (MVD) experiments. …”
Get full text

Metabolite profiling in assessing ulcerative colitis activity: A systematic review by Danyang Cui, Xu Han, Jiazhu Jin, Yanhong Wang, Zijia Chen, Yang Gong, Miao Jiang

“…Qualitative analysis was performed according to the classification of gas chromatography/mass spectrometry, liquid chromatography/mass spectrometry, or nuclear magnetic resonance. In the active period of UC, metabolites such as lipids, Amino acids showed a certain trend of change. …”
Get full text

MUC5B modulation of early oral biofilm glucose metabolism by Carolina Robertsson, Carolina Robertsson, Julia Davies, Gunnel Svensäter, Anders Bay Nord, Niclas Norrström, Claes Wickström

“…IntroductionSalivary mucin MUC5B has been suggested to support eubiosis in early oral biofilms by regulating the attachment of commensals, while downregulating dysbiotic activities related to dental caries development, such as microbial carbohydrate transport and metabolism.MethodsTo investigate how the metabolism of glucose, a potential driver for dental caries, in early mono- and dual-species biofilms of oral Actinomyces naeslundii and Streptococcus gordonii clinical isolates was affected by the presence of the complex salivary mucin MUC5B, this study employed nuclear magnetic resonance (NMR)-based metabolomics with the interpretation of network integration.Results and discussionMUC5B reduced early attachment in the presence of glucose compared with uncoated surfaces but maintained even species distribution. …”
Get full text

Machine learning and genetic algorithm-guided directed evolution for the development of antimicrobial peptides by Heqian Zhang, Yihan Wang, Yanran Zhu, Pengtao Huang, Qiandi Gao, Xiaojie Li, Zhaoying Chen, Yu Liu, Jiakun Jiang, Yuan Gao, Jiaquan Huang, Zhiwei Qin

“…Methods: LBDA-D was identified as an output of this algorithm, in which the original LBDMj sequence was the input, and the three-dimensional solution structure of LBDB was determined using nuclear magnetic resonance. Furthermore, our study involved a comprehensive series of experiments, including morphological studies and in vitro and in vivo antibacterial tests. …”
Get full text

Anti-Inflammatory Activity of Diterpenoids from Celastrus orbiculatus in Lipopolysaccharide-Stimulated RAW264.7 Cells by Hyun-Jae Jang, Kang-Hoon Kim, Eun-Jae Park, Jeong A. Kang, Bong-Sik Yun, Seung-Jae Lee, Chan Sun Park, Soyoung Lee, Seung Woong Lee, Mun-Chual Rho

“…In this study, compounds 1–17, including undescribed podocarpane-type trinorditerpenoid (3), were purified from C. orbiculatus and their chemical structure were determined by high-resolution electrospray ionization mass (HRESIMS) and nuclear magnetic resonance (NMR) spectroscopic data. To investigate the anti-inflammatory activity of compounds 1–17, nitric oxide (NO) secretion was evaluated in LPS-treated murine macrophages, RAW264.7 cells. …”
Get full text

An NMR Study of the Bortezomib Degradation under Clinical Use Conditions by Adele Bolognese, Anna Esposito, Michele Manfra, Lucio Catalano, Fara Petruzziello, Maria Carmen Martorelli, Raffaella Pagliuca, Vittoria Mazzarelli, Maria Ottiero, Melania Scalfaro, Bruno Rotoli

“…Commercial BTZ samples, reconstituted according to the reported commercial instructions and stored at 4∘C, were analyzed by high-field nuclear magnetic resonance spectroscopy in comparison with identical samples bubbled with air and argon, respectively. …”
Get full text

Unlocking innovation: Novel films synthesised and structurally analysed from poly (l-lactide-co-ethylene adipate) block copolymers blended with poly(lactic acid) by Athira John, Klementina Pušnik Črešnar, Johan Stanley, Sabina Vohl, Damjan Makuc, Dimitrios N. Bikiaris, Lidija Fras Zemljič

“…The study employs a range of analytical techniques, including Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Polarised Light Microscopy (PLM), Differential Scanning Calorimetry (DSC), and Thermogravimetric Analysis (TGA), to thoroughly characterize the copolymers and blend films. …”
Get full text