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https://www.readbyqxmd.com/read/28645072/association-of-the-serum-myeloperoxidase-high-density-lipoprotein-particle-ratio-and-incident-cardiovascular-events-in-a-multi-ethnic-population-observations-from-the-dallas-heart-study
#1
Htet W Khine, John F Teiber, Robert W Haley, Amit Khera, Colby R Ayers, Anand Rohatgi
BACKGROUND AND AIMS: Myeloperoxidase (MPO), a product of systemic inflammation, promotes oxidation of lipoproteins; whereas, high-density lipoprotein (HDL) exerts anti-oxidative effects in part via paraoxonase-1 (PON1). MPO induces dysfunctional HDL particles; however, the interaction of circulating levels of these measures in cardiovascular disease (CVD) has not been studied in humans. We tested whether serum levels of MPO indexed to HDL particle concentration (MPO/HDLp) are associated with increased CVD risk in a large multiethnic population sample, free of CVD at baseline...
June 3, 2017: Atherosclerosis
https://www.readbyqxmd.com/read/28645066/hydrothermal-co-carbonization-of-sewage-sludge-and-pinewood-sawdust-for-nutrient-rich-hydrochar-production-synergistic-effects-and-products-characterization
#2
Xiaojuan Zhang, Lei Zhang, Aimin Li
The aim of this study is to explore the synergistic effects of hydrothermal co-carbonization of sewage sludge and pinewood sawdust on hydrochar production. Firstly, the effects of mixing ratios on hydrothermal carbonization were investigated, and then, the hydrochar was characterized by diverse analytical techniques. The mass balance results indicated that a significant synergistic enhancement occurred in terms of the increased hydrochar yield, organic and carbon retentions. By combining sewage sludge and pinewood sawdust at the mass ratio of 1:1, 58...
June 20, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28645003/structure-and-gene-cluster-of-the-o-antigen-of-enterobacter-cloacae-c4115
#3
Andrei V Perepelov, Guangnan Xu, Andrei V Filatov, Xinjie Zhang, Alexander S Shashkov, Min Wang, Yuriy A Knirel
An O-polysaccharide was isolated by mild acid degradation of the lipopolysaccharide of Enterobacter cloacae C4115 and studied by sugar analysis along with 1D and 2D (1)H and (13)C NMR spectroscopy. The following structure of the linear pentasaccharide repeating unit of the O-polysaccharide was established: →2)-α-l-Rhap-(1 → 2)-α-l-Rhap-(1 → 2)-α-l-Rhap-(1 → 2)-α-d-Galp-(1 → 3)-α-d-FucpNAc-(1→ The O-antigen gene cluster of E. cloacae C4115 was sequenced. The gene functions were tentatively assigned by comparison with sequences in the available databases and found to be in consistence with the O-polysaccharide structure...
June 3, 2017: Carbohydrate Research
https://www.readbyqxmd.com/read/28644918/heterogeneous-microtesla-sabre-enhancement-of-15n-nmr-signals
#4
Kirill V Kovtunov, Larisa M Kovtunova, Max E Gemeinhardt, Andrey V Bukhtiyarov, Jonathan Gesiorski, Valerii I Bukhtiyarov, Eduard Y Chekmenev, Igor V Koptyug, Boyd Goodson
The hyperpolarization of heteronuclei via Signal Amplification by Reversible Exchange (SABRE) was investigated under conditions of heterogeneous catalysis and microtesla magnetic fields. Immobilization of [IrCl(COD)(IMes)], [IMes = 1,3-bis(2,4,6-trimethylphenyl), imidazole-2-ylidene; COD = cyclooctadiene] catalyst onto silica particles modified with NH2(CH2)3- linkers engenders an effective heterogeneous SABRE (HET-SABRE) catalyst that was used to demonstrate ~102-fold enhancement of 15N NMR signals in pyridine at 9...
June 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28644650/nature-of-the-spin-liquid-ground-state-in-a-breathing-kagome-compound-studied-by-nmr-and-series-expansion
#5
J-C Orain, B Bernu, P Mendels, L Clark, F H Aidoudi, P Lightfoot, R E Morris, F Bert
In the vanadium oxyfluoride compound (NH_{4})_{2}[C_{7}H_{14}N][V_{7}O_{6}F_{18}] (DQVOF), the V^{4+} (3d^{1}, S=1/2) ions realize a unique, highly frustrated breathing kagome lattice composed of alternately sized, corner-sharing equilateral triangles. Here we present an ^{17}O NMR study of DQVOF, which isolates the local susceptibility of the breathing kagome network. By a fit to series expansion, we extract the ratio of the interactions within the breathing kagome plane, J_{∇}/J_{Δ}=0.55(4), and the mean antiferromagnetic interaction J[over ¯]=60(7)  K...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28644632/mott-transition-in-the-a15-phase-of-cs_-3-c_-60-absence-of-a-pseudogap-and-charge-order
#6
H Alloul, P Wzietek, T Mito, D Pontiroli, M Aramini, M Riccò, J P Itie, E Elkaim
We present a detailed NMR study of the insulator-to-metal transition induced by an applied pressure p in the A15 phase of Cs_{3}C_{60}. We evidence that the insulating antiferromagnetic (AFM) and superconducting (SC) phases coexist only in a narrow p range. At fixed p, in the metallic state above the SC transition T_{c}, the ^{133}Cs and ^{13}C NMR spin-lattice relaxation data are seemingly governed by a pseudogaplike feature. We prove that this feature, also seen in the ^{133}Cs NMR shift data, is rather a signature of the Mott transition which broadens and smears out progressively for increasing (p,T)...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28644630/expanding-the-therapeutic-potential-of-the-iron-chelator-deferasirox-in-the-development-of-aqueous-stable-ti-iv-anticancer-complexes
#7
Sergio A Loza-Rosas, Alexandra M Vázquez-Salgado, Kennett I Rivero, Lenny J Negrón, Yamixa Delgado, Josué A Benjamín-Rivera, Angel L Vázquez-Maldonado, Timothy B Parks, Charlene Munet-Colón, Arthur D Tinoco
The recent X-ray structure of titanium(IV)-bound human serum transferrin (STf) exhibiting citrate as a synergistic anion reveals a difference in Ti(IV) coordination versus iron(III), the metal endogenously delivered by the protein to cells. This finding enriches our bioinspired drug design strategy for Ti(IV)-based anticancer therapeutics, which applies a family of Fe(III) chelators termed chemical transferrin mimetic (cTfm) ligands to inhibit Fe bioavailability in cancer cells. Deferasirox, a drug used for iron overload disease, is a cTfm ligand that models STf coordination to Fe(III), favoring Fe(III) binding versus Ti(IV)...
June 23, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28644609/galnac-tyrosine-is-a-ligand-of-plant-lectins-antibodies-and-human-and-murine-macrophage-galactose-type-lectins
#8
Ruslan Gibadullin, David Wayne Farnsworth, Joseph J Barchi, Jeffrey C Gildersleeve
In 2011, a new type of protein O-glycosylation was discovered in which N-acetylgalactosamine is attached to the side chain of tyrosine (GalNAc-Tyr). While present on dozens of proteins, the biological roles of GalNAc-Tyr are unknown. To gain insight into this new type of modification, we synthesized a group of GalNAc-Tyr glycopeptides, constructed microarrays, and evaluated potential recognition of GalNAc-Tyr by a series of glycan-binding proteins. Through a series of >150 microarray experiments, we assessed binding properties of a variety of plant lectins, monoclonal antibodies, and endogenous lectins...
June 23, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/28644553/structural-insights-into-the-inclusion-complexes-between-clomiphene-citrate-and-%C3%AE-cyclodextrin-the-mechanism-of-preferential-isomeric-selection
#9
Arti Maheshwari, Harish Saraswat, Santosh Kumar Upadhyay
A major challenge in pharmaceuticals for clinical applications is to alter the solubility, stability, and toxicity of drug molecules in living systems. Cyclodextrins (CDs) have the ability to form host-guest inclusion complexes with pharmaceuticals for further development of new drug formulations. The inclusion complex of clomiphene citrate (CL), a poorly water-soluble drug, with native β-cyclodextrin (β-CD) was characterized by a one and two-dimensional nuclear magnetic resonance (NMR) spectroscopic approach and also by molecular docking techniques...
June 23, 2017: Chirality
https://www.readbyqxmd.com/read/28644550/biphasic-liquid-crystal-and-the-simultaneous-measurement-of-isotropic-and-anisotropic-parameters-by-spatially-resolved-nmr-spectroscopy
#10
Malin Reller, Svenja Wesp, Martin R M Koos, Michael Knut Reggelin, Burkhard Luy
Residual dipolar couplings and other anisotropic NMR parameters are powerful tools for molecular structure elucidation when conventional techniques do not suffice. With current liquid crystalline preparations, it is necessary to prepare two samples to extract isotropic and anisotropic data from spectra and to derive the residual dipolar couplings. Here, we present the preparation, measurement, and interpretation of a novel biphasic liquid crystalline phase where a single sample can be used to generate both isotropic and anisotropic data...
June 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28644528/a-systematic-1-h-and-13-c-nmr-spectral-analysis-of-bicyclo-n-3-1-alkanone-systems-determination-of-the-relative-configuration-of-the-stereogenic-centres-and-conformation-of-the-six-membered-ring
#11
Giorgio Giorgi, Pilar López-Alvarado, J Carlos Menéndez
No abstract text is available yet for this article.
June 23, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28644517/quantitative-insights-into-the-fast-pyrolysis-of-extracted-cellulose-hemicelluloses-and-lignin
#12
Marion Carrier, Michael Windt, Bernhard Ziegler, Jörn Appelt, Bodo Saake, Dietrich Meier, Anthony Bridgwater
The transformation of lignocellulosic biomass into bio-based commodity chemicals is technically possible. Among thermochemical processes, fast pyrolysis, a relatively mature technology that has now reached the commercial level, produces a high yield of an organic-rich liquid stream. Despite the recent efforts in elucidating the degradation paths of biomass pyrolysis, the selectivity and recovery rates of bio-compounds remain low. In an attempt to clarify the general degradation scheme of biomass fast pyrolysis and provide a quantitative insight, this study has combined the use of fast pyrolysis micro-reactors, spectrometric techniques and mixtures of unlabelled and Carbon-13 enriched materials...
June 23, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28644511/bacteriophage-tail-tube-assembly-studied-by-proton-detected-4d-solid-state-nmr
#13
Maximilian Zinke, Pascal Fricke, Camille Samson, Songhwan Hwang, Joseph Wall, Sascha Lange, Sophie Zinn-Justin, Adam Lange
Obtaining unambiguous resonance assignments remains a major bottleneck in solid-state NMR studies of protein structure and dynamics. Particularly for supramolecular assemblies with large subunits (>150 residues), the analysis of crowded spectral data presents a challenge, even if three-dimensional (3D) spectra are used. Here, we present a proton-detected 4D solid-state NMR assignment procedure that is tailored for large assemblies. The key to recording 4D spectra with three indirect carbon or nitrogen dimensions with their inherently large chemical shift dispersion lies in the use of sparse non-uniform sampling (as low as 2%)...
June 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28644482/one-thousand-fold-enhancement-of-high-field-liquid-nuclear-magnetic-resonance-signals-at-room-temperature
#14
Guoquan Liu, Marcel Levien, Niels Karschin, Giacomo Parigi, Claudio Luchinat, Marina Bennati
Nuclear magnetic resonance (NMR) is a fundamental spectroscopic technique for the study of biological systems and materials, molecular imaging and the analysis of small molecules. It detects interactions at very low energies and is thus non-invasive and applicable to a variety of targets, including animals and humans. However, one of its most severe limitations is its low sensitivity, which stems from the small interaction energies involved. Here, we report that dynamic nuclear polarization in liquid solution and at room temperature can enhance the NMR signal of (13)C nuclei by up to three orders of magnitude at magnetic fields of ∼3 T...
July 2017: Nature Chemistry
https://www.readbyqxmd.com/read/28644384/characterisation-of-the-chemical-composition-and-structural-features-of-novel-antimicrobial-nanoparticles
#15
Yuen-Ki Cheong, Jesus Calvo-Castro, Lena Ciric, Mohan Edirisinghe, Elaine Cloutman-Green, Upulitha Eranka Illangakoon, Qiang Kang, Suntharavathanan Mahalingam, Rupy Kaur Matharu, Rory M Wilson, Guogang Ren
Three antimicrobial nanoparticle types (AMNP0, AMNP1, and AMNP2) produced using the Tesima(TM) thermal plasma technology were investigated and their compositions were determined using a combination of analytical methods. Scanning electron micrographs provided the morphology of these particles with observed sizes ranging from 10 to 50 nm, whilst FTIR spectra confirmed the absence of polar bonds and organic impurities, and strong Raman active vibrational bands at ca. 1604 and 1311 cm(-1) ascribed to C-C vibrational motions were observed...
June 23, 2017: Nanomaterials
https://www.readbyqxmd.com/read/28644017/spectrally-undiscerned-isomers-might-lead-to-erroneous-determination-of-water-exchange-rates-of-paracest-eu-iii-agents
#16
Nevenka Cakić, Ben Tickner, Moritz Zaiss, David Esteban-Gómez, Carlos Platas-Iglesias, Goran Angelovski
We report a detailed study of the solution structure and water exchange rate of a Eu(III) complex with the cyclen-based ligand L(1), containing (S)-2-(2-acetamido)-3-(4-(trifluoromethyl)phenyl)propanoate pendant arms at positions 1 and 7 of the cyclen ring and acetylglycinate pendants at positions 4 and 10. The EuL(1) complex was characterized by a combination of NMR and luminescence spectroscopy and density functional theory (DFT) calculations. The chemical exchange saturation transfer (CEST) spectra obtained at different temperatures and saturation powers present a CEST signal attributed to the coordinated water molecule...
June 23, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28644013/a-simple-approach-to-prepare-carboxycellulose-nanofibers-from-untreated-biomass
#17
Priyanka R Sharma, Ritika Joshi, Benjamin S Hsiao
A simple approach was developed to prepare carboxycellulose nanofibers directly from untreated biomass using nitric acid or nitric acid-sodium nitrite mixtures. Experiments indicated that this approach greatly reduced the need for multi-chemicals, and offered significant benefits in lowering the consumption of water and electric energy, when compared with conventional multiple-step processes at bench scale (e.g. TEMPO oxidation). Additionally, the effluent produced by this approach could be efficaciously neutralized using base to produce nitrogen-rich salts as fertilizers...
June 23, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28644007/cyclotides-as-tools-in-chemical-biology
#18
Simon J de Veer, Joachim Weidmann, David J Craik
Among the various molecules that plants produce for defense against pests and pathogens, cyclotides stand out as exceptionally stable and structurally unique. These ribosomally synthesized peptides are around 30 amino acids in size, and are stabilized by a head-to-tail cyclic peptide backbone and three disulfide bonds that form a cystine knot. They occur in certain plants of the Rubiaceae, Violaceae, Cucurbitaceae, Fabaceae, and Solanaceae families, with an individual plant producing up to hundreds of different cyclotides...
June 23, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28643382/synthesis-and-biological-evaluation-of-arginyl-diosgenin-conjugate-as-a-potential-bone-tissue-engineering-agent
#19
Ai-Mei Liao, Hana Jung, Ji Won Yu, Dong Hee Lee, Sang-Soo Park, Bangrong Cai, ChangJu Chun
Water-soluble arginyl-diosgenin (Arg-DG) conjugate was designed, synthesized, and evaluated for a biological activity. The Arg-DG conjugate was characterized using FT-IR, (1) H NMR, (13) C NMR, and HPLC-MS analyses, followed by a biological activity evaluation. Compared with DG, the Arg-DG conjugate showed a decreased cytotoxicity against L929 cells and an increased anti-proliferative activity against hepatocellular cells. The safety of the Arg-DG conjugate was confirmed using the highly sensitive Alamar Blue assay, which indicated that it increased the cellular metabolic activity at suitable concentrations...
June 23, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28643003/recent-developments-in-solution-nuclear-magnetic-resonance-nmr-based-molecular-biology
#20
REVIEW
Joshua J Ziarek, Diego Baptista, Gerhard Wagner
Visualizing post-translational modifications, conformations, and interaction surfaces of protein structures at atomic resolution underpins the development of novel therapeutics to combat disease. As computational resources expand, in silico calculations coupled with experimentally derived structures and functional assays have led to an explosion in structure-based drug design (SBDD) with several compounds in clinical trials. It is increasingly clear that "hidden" transition-state structures along activation trajectories can be harnessed to develop novel classes of allosteric inhibitors...
June 23, 2017: Journal of Molecular Medicine: Official Organ of the "Gesellschaft Deutscher Naturforscher und Ärzte"
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