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Magnetic Nuclear Resonance

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https://www.readbyqxmd.com/read/28637015/differential-metabonomic-profiles-of-primary-hepatocellular-carcinoma-tumors-from-alcoholic-liver-disease-hbv-infected-and-hcv-infected-cirrhotic-patients
#1
Ding Cao, Can Cai, Mingxin Ye, Junhua Gong, Menghao Wang, Jinzheng Li, Jianping Gong
Our objective was to comparatively profile the metabolite composition of primary hepatocellular carcinoma (HCC) tumors from alcoholic liver disease (ALD), hepatitis B virus (HBV)-infected, and hepatitis C virus (HCV)-infected cirrhotic patients. Primary HCC tumors were collected from ALD, HBV-infected, and HCV-infected cirrhotic patients (n=20 each). High-resolution magic-angle spinning proton nuclear magnetic resonance spectroscopy and metabonomic data analysis were performed to compare HCC tumors from the three groups...
June 7, 2017: Oncotarget
https://www.readbyqxmd.com/read/28636359/relativistic-approximations-to-paramagnetic-nmr-chemical-shift-and-shielding-anisotropy-in-transition-metal-systems
#2
Syed Awais Rouf, Jiří Mareš, Juha Vaara
We apply approximate relativistic methods to calculate the magnetic property tensors, i.e., the g-tensor, zero-field splitting (ZFS) tensor (D), and hyperfine coupling (HFC) tensors, for the purpose of constructing paramagnetic nuclear magnetic resonance (pNMR) shielding tensors. The chemical shift and shielding anisotropy are calculated by applying a modern implementation of the classic Kurland-McGarvey theory (J. Magn. Reson. 1970, 2, 286), which formulates the shielding tensor in terms of the g- and HFC tensors obtained for the ground multiplet, in the case of higher than doublet multiplicity defined by the ZFS interaction...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28636189/discovery-of-alkyl-bis-oxy-dibenzimidamide-derivatives-as-novel-protein-arginine-methyltransferase-1-prmt1-inhibitors
#3
Wei-Yao Zhang, Wen-Chao Lu, Hao Jiang, Zheng-Bing Lv, Yi-Qian Xie, Fu-Lin Lian, Zhong-Jie Liang, Yu-Xi Jiang, Da-Jin Wang, Cheng Luo, Jia Jin, Fei Ye
Protein arginine methylation, a post-translational modification critical for a variety of biological processes, is catalyzed by protein arginine N-methyltransferases (PRMTs). In particular, PRMT1 is responsible for over 85% of the arginine methylation in mammalian cells. Dysregulation of PRMT1 is involved in diverse pathological diseases including cancers. However, most current PRMT1inhibitors are lack of specificity, efficacy, and bioavailability. Herein, a series of alkyl bis(oxy)dibenzimidamide derivatives were identified as selective PRMT1 inhibitors...
June 21, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28634127/application-of-advanced-techniques-for-the-assessment-of-bio-stability-of-biowaste-derived-residues-a-minireview
#4
REVIEW
Fan Lü, Li-Ming Shao, Hua Zhang, Wen-Ding Fu, Shi-Jin Feng, Liang-Tong Zhan, Yun-Min Chen, Pin-Jing He
Bio-stability is a key feature for the utilization and final disposal of biowaste-derived residues, such as aerobic compost or vermicompost of food waste, bio-dried waste, anaerobic digestate or landfilled waste. The present paper reviews conventional methods and advanced techniques used for the assessment of bio-stability. The conventional methods are reclassified into two categories. Advanced techniques, including spectroscopic (fluorescent, ultraviolet-visible, infrared, Raman, nuclear magnetic resonance), thermogravimetric and thermochemolysis analysis, are emphasized for their application in bio-stability assessment in recent years...
June 12, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28632946/emerging-biomarkers-of-illness-severity-urinary-metabolites-associated-with-sepsis-and-necrotizing-methicillin-resistant-staphylococcus-aureus-pneumonia
#5
Lilliam Ambroggio, Todd A Florin, Samir S Shah, Richard Ruddy, Larisa Yeomans, Julie Trexel, Kathleen A Stringer
STUDY OBJECTIVE: To illustrate the potential of metabolomics to identify novel biomarkers of illness severity in a child with fatal necrotizing pneumonia caused by methicillin-resistant Staphylococcus aureus (MRSA). DESIGN: Case report with two control groups and a metabolomics analysis. PATIENTS: An infant with fatal MRSA pneumonia, four children with influenza pneumonia (pneumonia control group), and seven healthy children with no known infections (healthy control group)...
June 20, 2017: Pharmacotherapy
https://www.readbyqxmd.com/read/28632189/phenolic-glycosides-from-capsella-bursa-pastoris-l-medik-and-their-anti-inflammatory-activity
#6
Joon Min Cha, Won Se Suh, Tae Hyun Lee, Lalita Subedi, Sun Yeou Kim, Kang Ro Lee
A new sesquilignan glycoside 1, together with seven known phenolic glycosides 2-8 were isolated from the aerial parts of Capsella bursa-pastoris. The chemical structure of the new compound 1 was elucidated by extensive nuclear magnetic resonance (NMR) data (¹H- and (13)C-NMR, ¹H-¹H correlation spectroscopy (¹H-¹H COSY), heteronuclear single-quantum correlation (HSQC), heteronuclear multiple bond correlation (HMBC), and nuclear overhauser effect spectroscopy (NOESY)) and HR-FABMS analysis. The anti-inflammatory effects of 1-8 were evaluated in lipopolysaccharide (LPS)-stimulated murine microglia BV-2 cells...
June 20, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28631929/-13-c-dynamic-nuclear-polarization-using-a-trimeric-gd-3-complex-as-an-additive
#7
Peter Niedbalski, Christopher Parish, Qing Wang, Andhika Kiswandhi, Zahra Hayati, Likai Song, Lloyd Laporca Lumata
Dissolution dynamic nuclear polarization (DNP) is one of the most successful techniques that resolves the insensitivity problem in liquid-state nuclear magnetic resonance (NMR) spectroscopy and imaging (MRI) by amplifying the signal by several thousand-fold. One way to further improve the DNP signal is the inclusion of trace amounts of lanthanides in DNP samples doped with trityl OX063 free radical as the polarizing agent. In practice, stable monomeric gadolinium complexes such as Gd-DOTA or Gd-HP-DO3A are used as beneficial additives in DNP samples, further boosting the DNP-enhanced solid-state 13C polarization by a factor of 2 or 3...
June 20, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28631384/nmr-study-of-the-reductive-decomposition-of-bmim-ntf2-at-gold-electrodes-and-indirect-electrochemical-conversion-of-co2
#8
Roman Michez, Thomas Doneux, Claudine Buess-Herman, Michel Luhmer
Potential controlled electrolyses of [BMIm][NTf2 ] ionic liquid were performed at a gold cathode under nitrogen atmosphere. The structures of the major conversion products of the BMIm(+) cation were elucidated on the basis of 1D and 2D nuclear magnetic resonance (NMR) analyses and gas chromatography (GC) analysis of the volatile compounds. Recombination of the imidazol-2-yl radicals, generated at the electrode by single electron transfer, leads to neutral diastereomeric dimers in equal proportions, with a faradaic efficiency of 80 %, while disproportionation of these radicals and/or reaction with hydrogen atoms adsorbed at the electrode generates a neutral monomer with 20 % faradaic efficiency...
June 20, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28630930/real-time-quantitative-analysis-of-metabolic-flux-in-live-cells-using-a-hyperpolarized-micromagnetic-resonance-spectrometer
#9
Sangmoo Jeong, Roozbeh Eskandari, Sun Mi Park, Julio Alvarez, Sui Seng Tee, Ralph Weissleder, Michael G Kharas, Hakho Lee, Kayvan R Keshari
Metabolic reprogramming is widely considered a hallmark of cancer, and understanding metabolic dynamics described by the conversion rates or "fluxes" of metabolites can shed light onto biological processes of tumorigenesis and response to therapy. For real-time analysis of metabolic flux in intact cells or organisms, magnetic resonance (MR) spectroscopy and imaging methods have been developed in conjunction with hyperpolarization of nuclear spins. These approaches enable noninvasive monitoring of tumor progression and treatment efficacy and are being tested in multiple clinical trials...
June 2017: Science Advances
https://www.readbyqxmd.com/read/28629236/advances-in-new-psychoactive-substances-identification-the-u-r-i-to-n-consortium
#10
Elisabetta Bertol, Fabio Vaiano, Francesco Mari, Maria Grazia Di Milia, Silvia Bua, Claudiu T Supuran, Fabrizio Carta
Identification of new psychoactive substances (NPS) in biological and non-biological samples represents a hard challenge for forensic toxicologists. Their great chemical variety and the speed with which new NPS are synthesised and spread make stringent the need of advanced tools for their detection based on multidisciplinary approaches. For this reason, in August 2016, the "Unit of Research and Innovation in Forensic Toxicology and Neuroscience of Addiction" (U.R.I.To.N.) was founded by the Forensic Toxicology Division of the University of Florence...
December 2017: Journal of Enzyme Inhibition and Medicinal Chemistry
https://www.readbyqxmd.com/read/28629215/unusual-interfacial-freezing-phenomena-in-hexacontane-silica-composites
#11
Xia Gao, Yunlan Su, Weiwei Zhao, Qingyun Qian, Xin Chen, Robert Wittenbrink, Dujin Wang
The crystallization behaviors of n-hexacontane (C60H122)/Stöber silica (SiO2) composites with various compositions were investigated by a combination of differential scanning calorimetry (DSC), solid-state (13)C nuclear magnetic resonance (solid-state (13)C NMR) and Proton NMR relaxation experiments. By means of DSC, C60H122 molecules in C60H122/silica composites were observed to be involved in the interfacial freezing not present in the free bulk C60H122. The orientation of C60H122 molecules, being preferentially normal to silica surface, was confirmed by grazing incidence X-ray diffraction experiments on thin n-hexacontane film adsorbed on the silicon wafer with a native SiO2 layer...
June 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28629088/encapsulation-of-methotrexate-and-cyclophosphamide-in-interpolymer-complexes-formed-between-poly-acrylic-acid-and-poly-ethylene-glycol-on-multi-walled-carbon-nanotubes-as-drug-delivery-systems
#12
Mohammad Hossein Ahmadi Azqhandi, Bahman Vasheghani Farahani, Nasibe Dehghani
By combining the advantage of multi-walled carbon nanotubes (MWCNTs) and interpolymer complexes, we synthesis a new carrier system consist of poly(acrylic acid)/poly(ethylene glycol)/carbon nanotube (PAA/PEG/CNT). Then, Methotrexate (MTX) and Cyclophosphamide (CPP) were loaded on PAA/PEG/CNT, and the physicochemical properties of nanoparticles characterized by Infrared spectroscopy (IR), Scanning Electron Microscopy (SEM), Thermo Gravimetric Analysis (TGA) and Nuclear Magnetic Resonance (NMR). In the second part after efficiency determination of loaded drugs, in vitro drug release study was examined with ultra violet spectroscopy (UV) in pH=7...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28629063/substitution-of-strontium-and-boron-into-hydroxyapatite-crystals-effect-on-physicochemical-properties-and-biocompatibility-with-human-wharton-jelly-stem-cells
#13
Joanna Kolmas, Frédéric Velard, Aneta Jaguszewska, Flora Lemaire, Halima Kerdjoudj, Sophie C Gangloff, Agnieszka Kaflak
Hydroxyapatite (HA) enriched with strontium and boron ions was synthesized using two different methods: the precipitation method (Sr,B-HAw) and the dry method (Sr,B-HAd). Additionally, for the sake of comparison, the "pure" unsubstituted HA was prepared together with HAs substituted only with one type of a foreign ion. The obtained materials were subjected to physicochemical analysis with the use of various analytical methods, such as powder X-ray diffraction (PXRD), transmission electron microscopy (TEM), inductively coupled plasma optical emission spectroscopy (ICP-OES), Fourier transform infrared spectroscopy (FT-IR) and solid-state proton nuclear magnetic resonance ((1)H ssNMR)...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28628999/synthesis-characterisation-and-phase-transition-behaviour-of-temperature-responsive-physically-crosslinked-poly-n-vinylcaprolactam-based-polymers-for-biomedical-applications
#14
Shane C Halligan, Maurice B Dalton, Kieran A Murray, Yixiao Dong, Wenxin Wang, John G Lyons, Luke M Geever
Poly (N-vinylcaprolactam) (PNVCL) is a polymer which offers superior characteristics for various potential medical device applications. In particular it offers unique thermoresponsive capabilities, which fulfils the material technology constraints required in targeted drug delivery applications. PNVCL phase transitions can be tailored in order to suit the requirements of current and next generation devices, by modifying the contents with regard to the material composition and aqueous polymer concentration. In this study, physically crosslinked Poly (N-vinylcaprolactam)-Vinyl acetate (PNVCL-VAc) copolymers were prepared by photopolymerisation...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28627764/illustration-of-a-simple-route-to-generate-strong-carbon-13-nmr-signals-that-are-detectable-for-several-minutes
#15
Simon Duckett, Soumya Roy, Philip Norcott, Peter J Rayner, Gary Gr Green
Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) suffer from low sensitivity and limited nuclear spin memory lifetimes. While hyperpolarization techniques increase sensitivity there is also a desire to increase relaxation times to expand the range of applications addressable by these methods. Here we demonstrate a route to create hyperpolarized magnetization in ¹³C nuclear spin pairs that last much longer than normal lifetimes by storage in a singlet state. By combining molecular design and low-field storage with para-hydrogen derived hyperpolarization we achieve more than three-orders of signal amplification relative to equilibrium Zeeman polarization and an order of magnitude extension in state lifetime...
June 19, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28627685/metabolomic-analysis-based-on-1h-nuclear-magnetic-resonance-spectroscopy-metabolic-profiles-in-tuberculous-malignant-and-transudative-pleural-effusion
#16
Cheng Wang, Jingjin Peng, Yanling Kuang, Jiaqiang Zhang, Luming Dai
Pleural effusion is a common clinical manifestation with various causes. Current diagnostic and therapeutic methods have exhibited numerous limitations. By involving the analysis of dynamic changes in low molecular weight catabolites, metabolomics has been widely applied in various types of disease and have provided platforms to distinguish many novel biomarkers. However, to the best of our knowledge, there are few studies regarding the metabolic profiling for pleural effusion. In the current study, 58 pleural effusion samples were collected, among which 20 were malignant pleural effusions, 20 were tuberculous pleural effusions and 18 were transudative pleural effusions...
June 12, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28627135/in-situ-electrochemistry-of-rechargeable-battery-materials-status-report-and-perspectives
#17
REVIEW
Yijun Yang, Xizheng Liu, Zhonghua Dai, Fangli Yuan, Yoshio Bando, Dmitri Golberg, Xi Wang
The development of rechargeable batteries with high performance is considered to be a feasible way to satisfy the increasing needs of electric vehicles and portable devices. It is of vital importance to design electrodes with high electrochemical performance and to understand the nature of the electrode/electrolyte interfaces during battery operation, which allows a direct observation of the complicated chemical and physical processes within the electrodes and electrolyte, and thus provides real-time information for further design and optimization of the battery performance...
June 19, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28626483/bioassay-directed-isolation-of-falcarindiol-and-isoacetovanillon-from-pycnocycla-caespitosa-based-on-kcl-induced-contraction-in-rat-uterus-smooth-muscles
#18
Mostafa Ghanadian, Hassan Sadraei, Gholamreza Asghari, Zinat Abbasi
Hydroalcoholic extract and essential oil of aerial parts of Pycnocycla caespitosa have spasmolytic activity on rat ileum contractions. The objective of this research was to separate fractions of total hydroalcoholic extract of P. caespitosa guided by their spasmolytic activity on rat uterus. Aerial parts of P. caespitosa were extracted with ethanol. The concentrated extract was subjected to column chromatography and thin layer chromatography (TLC) for isolation fractions, then one of the bioactive fractions was subjected to further isolation to find its active components...
June 2017: Research in Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28626453/zinc-oxide-nanoparticles-influence-microflora-in-ileal-digesta-and-correlate-well-with-blood-metabolites
#19
Yanni Feng, Lingjiang Min, Weidong Zhang, Jing Liu, Zhumei Hou, Meiqiang Chu, Lan Li, Wei Shen, Yong Zhao, Hongfu Zhang
Zinc oxide nanoparticles (ZnO NPs) are used widely in consumer and industrial products, however, their influence on gut microbiota and metabolism and their mutual interactions are not fully understood. In this study, the effects of ZnO NPs on ileal bacterial communities, plasma metabolites, and correlations between them were investigated. Hens were fed with different concentrations of ZnO NPs [based on Zn; 0 mg/kg (control), 25 mg/kg, 50 mg/kg, and 100 mg/kg] for 9 weeks. Subsequently, ileal digesta and blood plasma were collected for analysis of microflora and metabolites, respectively...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28625724/the-binary-system-of-ibuprofen-nicotinamide-under-nanoscale-confinement-from-cocrystal-to-coamorphous-state
#20
Yanping Bi, Deli Xiao, Shuai Ren, Shuyan Bi, Jianzhu Wang, Fei Li
Coamorphous systems have gained success in stabilizing amorphous drugs and improving their solubility and dissolution. Here we proposed to confine a binary mixture of drug and coformer (CF) within nanopores to obtain a nano-confined coamorphous (NCA) system. For proving feasibility of this proposal, a poorly water-soluble drug (ibuprofen, IBP) and a frequently used pharmaceutical CF (nicotinamide, NIC) were loaded into nanopores of mesoporous silica microspheres (MSMs). The solid state of NCA system was characterized by differential scanning calorimetry, X-ray powder diffraction, infrared spectrum and solid state nuclear magnetic resonance...
June 15, 2017: Journal of Pharmaceutical Sciences
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