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Nuclear magnetic resonance

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https://www.readbyqxmd.com/read/28813018/biophysical-and-computational-studies-of-the-vcci-vmip-ii-complex
#1
Anna F Nguyen, Nai-Wei Kuo, Laura J Showalter, Ricardo Ramos, Cynthia M Dupureur, Michael E Colvin, Patricia J LiWang
Certain viruses have the ability to subvert the mammalian immune response, including interference in the chemokine system. Poxviruses produce the chemokine binding protein vCCI (viral CC chemokine inhibitor; also called 35K), which tightly binds to CC chemokines. To facilitate the study of vCCI, we first provide a protocol to produce folded vCCI from Escherichia coli (E. coli.) It is shown here that vCCI binds with unusually high affinity to viral Macrophage Inflammatory Protein-II (vMIP-II), a chemokine analog produced by the virus, human herpesvirus 8 (HHV-8)...
August 16, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28813004/lactose-binding-induces-opposing-dynamics-changes-in-human-galectins-revealed-by-nmr-based-hydrogen-deuterium-exchange
#2
Chih-Ta Henry Chien, Meng-Ru Ho, Chung-Hung Lin, Shang-Te Danny Hsu
Galectins are β-galactoside-binding proteins implicated in a myriad of biological functions. Despite their highly conserved carbohydrate binding motifs with essentially identical structures, their affinities for lactose, a common galectin inhibitor, vary significantly. Here, we aimed to examine the molecular basis of differential lactose affinities amongst galectins using solution-based techniques. Consistent dissociation constants of lactose binding were derived from nuclear magnetic resonance (NMR) spectroscopy, intrinsic tryptophan fluorescence, isothermal titration calorimetry and bio-layer interferometry for human galectin-1 (hGal1), galectin-7 (hGal7), and the N-terminal and C-terminal domains of galectin-8 (hGal8(NTD) and hGal8(CTD), respectively)...
August 16, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28812999/synthesis-and-evaluation-of-a-sodium-alginate-4-aminosalicylic-acid-based-microporous-hydrogel-for-potential-viscosupplementation-for-joint-injuries-and-arthritis-induced-conditions
#3
Dharmesh R Chejara, Mostafa Mabrouk, Pradeep Kumar, Yahya E Choonara, Pierre P D Kondiah, Ravindra V Badhe, Lisa C du Toit, Divya Bijukumar, Viness Pillay
A microporous hydrogel was developed using sodium alginate (alg) and 4-aminosalicylic acid (4-ASA). The synthesized hydrogel was characterized using various analytical techniques such as Fourier transform infrared spectroscopy (FTIR), Carbon-13 nuclear magnetic resonance ((13)C-NMR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM), and differential scanning calorimetry (DSC). Additonal carboxyl and hydroxyl functional groups of 4-ASA provided significant lubrication and stress-triggered sol-gel transition to the conjugated hydrogel...
August 16, 2017: Marine Drugs
https://www.readbyqxmd.com/read/28810632/a-novel-antitumor-compound-nobiliside-d-isolated-from-sea-cucumber-holothuria-nobilis-selenka
#4
Jia-Jia Zhang, Ke-Qi Zhu
An anticancer compound, triterpene glycoside, was isolated from Holothuria nobilis Selenka. Its chemical structure and configuration were determined by two-dimensional nuclear magnetic resonance spectroscopy and electrospray ionization mass spectrometry. The novel active compound was identified as nobiliside D, with the molecular formula C40H61O17SNa and chemical name 3-O-[-β-D-pyranosyl (1-2)-4'-O-sulfon-ate-β-D-xylopyranosyl]-alkoxy-9-ene-3β, 12α, 17α, 25β-4 alcohol. An antitumor test was performed using xCELLigence Real-Time Cell Analysis...
August 2017: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/28810513/effects-of-source-and-seasonal-variations-of-natural-organic-matters-on-the-fate-and-transport-of-ceo2-nanoparticles-in-the-environment
#5
Zhen Li, Endalkachew Sahle-Demessie, Ashraf Aly Hassan, Jonathan G Pressman, George A Sorial, Changseok Han
Natural organic matter (NOM) affects the stability and transport of nanoparticles (NPs) in natural waters by modifying their physiochemical properties. Source location, and seasonal variations, influence their molecular, physical and electrical charge properties. To understand the variations of NOM on the mobilization of NPs, large volumes of water were collected from the Ohio River (OR) over winter and summer seasons and dissolved NOMs were concentrated. The chemical and structural differences of these NOMs were compared with the Suwannee River humic acid (SRHA) SRHA using (1)H and (13)C nuclear magnetic resonance spectroscopy, and Fourier transforms infrared (FTIR) spectroscopy...
August 8, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28809817/synthesis-and-physicochemical-characterization-of-the-process-related-impurities-of-eplerenone-an-antihypertensive-drug
#6
Iwona Dams, Agata Białońska, Piotr Cmoch, Małgorzata Krupa, Anita Pietraszek, Anna Ostaszewska, Michał Chodyński
Two unknown impurities were observed during the process development for multigram-scale synthesis of eplerenone (Inspra(®)). The new process-related impurities were identified and fully characterized as the corresponding (7β,11α,17α)-11-hydroxy- and (7α,11β,17α)-9,11-dichloroeplerenone derivatives 12a and 13. Seven other known but poorly described in the literature eplerenone impurities, including four impurities A, B, C and E listed in the European Pharmacopoeia 8.4 were also detected, identified and fully characterized...
August 15, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28809779/application-of-solution-nmr-to-structural-studies-on-%C3%AE-helical-integral-membrane-proteins
#7
REVIEW
Dae-Won Sim, Zhenwei Lu, Hyung-Sik Won, Seu-Na Lee, Min-Duk Seo, Bong-Jin Lee, Ji-Hun Kim
A large portion of proteins in living organisms are membrane proteins which play critical roles in the biology of the cell, from maintenance of the biological membrane integrity to communication of cells with their surroundings. To understand their mechanism of action, structural information is essential. Nevertheless, structure determination of transmembrane proteins is still a challenging area, even though recently the number of deposited structures of membrane proteins in the PDB has rapidly increased thanks to the efforts using X-ray crystallography, electron microscopy, and solid and solution nuclear magnetic resonance (NMR) technology...
August 15, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28809095/isocyanate-free-uv-crosslinked-poly-hydroxyurethane-networks-a-sustainable-approach-toward-highly-functional-antibacterial-gels
#8
Geng Hua, Karin Odelius
An increased sustainabile awarness has inspired the development of new polymeric networks in a remarkable way and this strive should be combined with environmentally concerned end-uses. Therefore, a UV-crosslinked polyhydroxyurethane film with antibacterial properties is developed. First, a hydroxyurethane precursor is synthesized using aminolysis condensation, circumventing the use of isocyanates. The films are subsequently crosslinked under solvent-free conditions through a UV-triggered thiol-ene mechanism...
August 15, 2017: Macromolecular Bioscience
https://www.readbyqxmd.com/read/28808438/atsas-2-8-a-comprehensive-data-analysis-suite-for-small-angle-scattering-from-macromolecular-solutions
#9
D Franke, M V Petoukhov, P V Konarev, A Panjkovich, A Tuukkanen, H D T Mertens, A G Kikhney, N R Hajizadeh, J M Franklin, C M Jeffries, D I Svergun
ATSAS is a comprehensive software suite for the analysis of small-angle scattering data from dilute solutions of biological macromolecules or nanoparticles. It contains applications for primary data processing and assessment, ab initio bead modelling, and model validation, as well as methods for the analysis of flexibility and mixtures. In addition, approaches are supported that utilize information from X-ray crystallography, nuclear magnetic resonance spectroscopy or atomistic homology modelling to construct hybrid models based on the scattering data...
August 1, 2017: Journal of Applied Crystallography
https://www.readbyqxmd.com/read/28808396/catechin-isolated-from-garcinia-celebica-leaves-inhibit-plasmodium-falciparum-growth-through-the-induction-of-oxidative-stress
#10
Rizky Abdulah, Eka W Suradji, Anas Subarnas, Unang Supratman, Milyadi Sugijanto, Ajeng Diantini, Keri Lestari, Melisa I Barliana, Shinichiro Kawazu, Hiroshi Koyama
BACKGROUND: Resistance of antimalarial drugs to Plasmodium falciparum has become a major concern in malaria eradication. Although it is also affected by several socioeconomic factors, a new antiplasmodial agent is needed for a global malaria control program. OBJECTIVE: In this study, we attempted to uncover the antiplasmodial properties of Garcinia celebica, an Indonesian medicinal plant, along with the responsible compound and its possible mechanism. MATERIALS AND METHODS: The G...
July 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28808387/new-apigenin-glycoside-polyphenolic-constituents-anti-inflammatory-and-hepatoprotective-activities-of-gaillardia-grandiflora-and-gaillardia-pulchella-aerial-parts
#11
Fatma A Moharram, Rabab Abd El Moneim El Dib, Mohamed S Marzouk, Siham M El-Shenawy, Haitham A Ibrahim
BACKGROUND: Gaillardia grandiflora Hort. ex Van Houte and Gaillardia pulchella Foug are flowering plants widely cultivated in Egypt for their ornamental value. Previous reports demonstrated that sesquiterpene derivatives represent the major compounds in both species. Moreover, only few flavones were identified from genus Gaillardia and few studies on the cytotoxicity of G. pulchella were found. AIM OF THE STUDY: Investigation of the phenolic constituents of the aerial parts of both species and evaluation of their anti-inflammatory and hepatoprotective activities...
July 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28808382/allium-sativum-constituents-exhibit-anti-tubercular-activity-in-vitro-and-in-raw-264-7-mouse-macrophage-cells-infected-with-mycobacterium-tuberculosis-h37rv
#12
Swapna S Nair, Sujay S Gaikwad, Savita P Kulkarni, Alka Pravin Mukne
BACKGROUND: Long duration of treatment, side-effects of currently used anti-tubercular drugs and emergence of drug-resistant forms of Mycobacterium tuberculosis (MTB) warrants the need to develop new drugs to tackle the scourge of tuberculosis (TB). Garlic is an edible plant reported to have anti-tubercular activity. However, previous researches on anti-tubercular effect of garlic were focused mostly on preliminary in vitro screening. OBJECTIVE: To identify constituents responsible for anti-tubercular activity of thiosulfinate-derivative rich extract of garlic (GE) and to evaluate activity of the most active constituent in RAW 264...
July 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28808378/rutamarin-an-active-constituent-from-ruta-angustifolia-pers-induced-apoptotic-cell-death-in-the-ht29-colon-adenocarcinoma-cell-line
#13
Shafinah Ahmad Suhaimi, Sok Lai Hong, Sri Nurestri Abdul Malek
BACKGROUND: Ruta angustifolia Pers. is a perennial herb that is cultivated worldwide, including Southeast Asia, for the treatment of various diseases as traditional medicine. OBJECTIVE: The purpose of the study was to identify an active principle of R. angustifolia and to investigate its effect on the HT29 cell death. MATERIALS AND METHODS: The methanol and fractionated extracts (hexane, chloroform, ethyl acetate, and water) of R. angustifolia Pers...
July 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28806693/persistence-of-urban-organic-aerosols-composition-decoding-their-structural-complexity-and-seasonal-variability
#14
João T V Matos, Regina M B O Duarte, Sónia P Lopes, Artur M S Silva, Armando C Duarte
Organic Aerosols (OAs) are typically defined as highly complex matrices whose composition changes in time and space. Focusing on time vector, this work uses two-dimensional nuclear magnetic resonance (2D NMR) techniques to examine the structural features of water-soluble (WSOM) and alkaline-soluble organic matter (ASOM) sequentially extracted from fine atmospheric aerosols collected in an urban setting during cold and warm seasons. This study reveals molecular signatures not previously decoded in NMR-related studies of OAs as meaningful source markers...
August 11, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28806512/painkiller-isoxicam-and-its-copper-complex-can-form-inclusion-complexes-with-different-cyclodextrins-a-fluorescence-fourier-transform-infra-red-spectroscopy-and-nuclear-magnetic-resonance-study
#15
Sathi Goswami, Anupa Majumdar, Munna Sarkar
The interaction of a painkiller Isoxicam, belonging to the oxicam group of Non Steroidal Anti-Inflammatory Drugs (NSAIDs) and its copper complex with different cyclodextrins (β-CD, γ-CD, HPβCD and HPγCD ) has been investigated in both solution and the solid state. Steady state and time resolved fluorescence spectroscopy, fluorescence anisotropy, 1H NMR and FTIR spectroscopy are used. Both the drug and its copper complex form host-guest inclusion complex with all CDs. Fluorescence spectroscopy is used to determine binding constants and stoichiometries of the host-guest complex...
August 14, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28806184/noninfectious-aortitis-what-the-cardiologist-needs-to-know
#16
Ingolf Töpel
PURPOSE OF REVIEW: To sum up a group of noninfectious inflammatory diseases of the aorta and its branches relevant to a cardiologist's daily routine. To describe pathogenetic and clinical advances as well as modern diagnostic tools. To overview most recent treatment options and patient-tailored therapies. To provide an insight in future directions of research. RECENT FINDINGS: Pathophysiology of large vessel vasculitides (LVV) are still poorly defined. At least a certain number of patients with idiopathic periaortitis seem to part of the group of IgG4-related diseases which has implications for therapy...
August 12, 2017: Current Opinion in Cardiology
https://www.readbyqxmd.com/read/28805818/all-electric-control-of-donor-nuclear-spin-qubits-in-silicon
#17
Anthony J Sigillito, Alexei M Tyryshkin, Thomas Schenkel, Andrew A Houck, Stephen A Lyon
The electronic and nuclear spin degrees of freedom of donor impurities in silicon form ultra-coherent two-level systems that are potentially useful for applications in quantum information and are intrinsically compatible with industrial semiconductor processing. However, because of their smaller gyromagnetic ratios, nuclear spins are more difficult to manipulate than electron spins and are often considered too slow for quantum information processing. Moreover, although alternating current magnetic fields are the most natural choice to drive spin transitions and implement quantum gates, they are difficult to confine spatially to the level of a single donor, thus requiring alternative approaches...
August 14, 2017: Nature Nanotechnology
https://www.readbyqxmd.com/read/28805700/bilp-19-an-ultramicroporous-organic-network-with-exceptional-carbon-dioxide-uptake
#18
Christoph Klumpen, Florian Radakovitsch, Andreas Jess, Jürgen Senker
Porous benzimidazole-based polymers (BILPs) have proven to be promising for carbon dioxide capture and storage. The polarity of their chemical structure in combination with an inherent porosity allows for adsorbing large amounts of carbon dioxide in combination with high selectivities over unpolar guest molecules such as methane and nitrogen. For this reason, among purely organic polymers, BILPs contain some of the most effective networks to date. Nevertheless, they are still outperformed by competitive materials such as metal-organic frameworks (MOFs) or metal doped porous polymers...
August 12, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28804275/metabolomics-based-markers-predict-type-2-diabetes-in-a-14-year-follow-up-study
#19
Jun Liu, Sabina Semiz, Sven J van der Lee, Ashley van der Spek, Aswin Verhoeven, Jan B van Klinken, Eric Sijbrands, Amy C Harms, Thomas Hankemeier, Ko Willems van Dijk, Cornelia M van Duijn, Ayşe Demirkan
BACKGROUND: The growing field of metabolomics has opened up new opportunities for prediction of type 2 diabetes (T2D) going beyond the classical biochemistry assays. OBJECTIVES: We aimed to identify markers from different pathways which represent early metabolic changes and test their predictive performance for T2D, as compared to the performance of traditional risk factors (TRF). METHODS: We analyzed 2776 participants from the Erasmus Rucphen Family study from which 1571 disease free individuals were followed up to 14-years...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28804274/non-invasive-urinary-metabolomic-profiling-discriminates-prostate-cancer-from-benign-prostatic-hyperplasia
#20
Clara Pérez-Rambla, Leonor Puchades-Carrasco, María García-Flores, José Rubio-Briones, José Antonio López-Guerrero, Antonio Pineda-Lucena
INTRODUCTION: Prostate cancer (PCa) is one of the most common malignancies in men worldwide. Serum prostate specific antigen (PSA) level has been extensively used as a biomarker to detect PCa. However, PSA is not cancer-specific and various non-malignant conditions, including benign prostatic hyperplasia (BPH), can cause a rise in PSA blood levels, thus leading to many false positive results. OBJECTIVES: In this study, we evaluated the potential of urinary metabolomic profiling for discriminating PCa from BPH...
2017: Metabolomics: Official Journal of the Metabolomic Society
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