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https://www.readbyqxmd.com/read/28218535/sulfur-groups-improve-the-performance-of-triazole-and-triazolium-based-interaction-units-in-anion-binding
#1
Monica Alvarez-Perez, Marina Velado, Diego Garcia-Puentes, Elena Saez, Cristina Vicent, Roberto Fernández de la Pradilla, Alma Viso, Maria C De La Torre, Miguel A Sierra
An NMR comparative study of 1,2,3-triazole and triazolium anion recognition units containing sulfoxide, sulfone and sulfoximine groups at C4 unveils an enhancement in binding ability up to ≈1 kcal/mol in acetone-d6 correlated with a theoretical increase of H5 acidity. DFT calculations provide insight into binding modes in line with experimental data for these receptors.
February 20, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28216999/solution-and-structural-binding-studies-of-phosphate-with-thiophene-based-azamacrocycles
#2
Syed A Haque, Rainier S Berkley, Frank R Fronczek, Md Alamgir Hossain
Two thiophene-based monocyclic receptors L1 and L2 have been studied for phosphate binding in solutions (D2O and DMSO-d6 ) by (1)H NMR and (31)P NMR titrations, and in the solid state by single crystal X-ray analysis. Results from (1)H NMR titrations suggest that the ligands bind phosphate anions in a 1:2 binding mode in DMSO-d6 , with the binding constants of 5.25 and 4.20 (in log K), respectively. The binding of phosphate to L1 and L2 was further supported by (31)P NMR in D2O at pH = 5.2. The crystal structure of the phosphate complex of L1 reveals unambiguous proof for the formation of a ditopic complex via multiple hydrogen bonds from NH···O and CH···O interactions...
August 2016: Inorganic Chemistry Communications
https://www.readbyqxmd.com/read/28215453/beef-heifers-with-diminished-numbers-of-antral-follicles-have-decreased-uterine-protein-concentrations
#3
Anthony K McNeel, Émerson M Soares, Allyson L Patterson, Jeffrey L Vallet, Elane C Wright, Erin L Larimore, Olivia L Amundson, Jeremy R Miles, Chadwick C Chase, Clay A Lents, Jennifer R Wood, Andrea S Cupp, George A Perry, Robert A Cushman
Previous research demonstrated a favorable relationship between the number of follicles detectable in the bovine ovary by ultrasonography and fertility, and bovine females with diminished numbers of antral follicles had smaller reproductive tracts. Therefore, we hypothesized that uterine function would be compromised in beef heifers with diminished numbers of antral follilcles. Angus heifers (n=480) were submitted for ultrasonographic evaluation of antral follicle number at 325 and 355d of age. After the second ultrasonographic examination, 40 pubertal heifers with the greatest average number of antral follicles (30...
January 12, 2017: Animal Reproduction Science
https://www.readbyqxmd.com/read/28209985/ig-like-domain-6-of-vcam-1-is-a-potential-therapeutic-target-in-tnf%C3%AE-induced-angiogenesis
#4
Taek-Keun Kim, Chang Sik Park, Hee-Jun Na, Kangseung Lee, Aerin Yoon, Junho Chung, Sukmook Lee
Tumor necrosis factor alpha (TNFα)-induced angiogenesis plays important roles in the progression of various diseases, including cancer, wet age-related macular degeneration, and rheumatoid arthritis. However, the relevance and role of vascular cell adhesion molecule-1 (VCAM-1) in angiogenesis have not yet been clearly elucidated. In this study, VCAM-1 knockdown shows VCAM-1 involvement in TNFα-induced angiogenesis. Through competitive blocking experiments with VCAM-1 Ig-like domain 6 (VCAM-1-D6) protein, we identified VCAM-1-D6 as a key domain regulating TNFα-induced vascular tube formation...
February 17, 2017: Experimental & Molecular Medicine
https://www.readbyqxmd.com/read/28208097/distribution-characteristics-of-volatile-methylsiloxanes-in-tokyo-bay-watershed-in-japan-analysis-of-surface-waters-by-purge-and-trap-method
#5
Yuichi Horii, Kotaro Minomo, Nobutoshi Ohtsuka, Mamoru Motegi, Kiyoshi Nojiri, Kurunthachalam Kannan
Surface waters including river water and effluent from sewage treatment plants (STPs) were collected from Tokyo Bay watershed, Japan, and analyzed for seven cyclic and linear volatile methylsiloxanes (VMSs), i.e., D3, D4, D5, D6, L3, L4, and L5 by an optimized purge and trap extraction method. The total concentrations of seven VMSs (ΣVMS) in river water ranged from <4.9 to 1700ng/L (mean: 220ng/L). The individual mean concentrations of cyclic VMSs in surface waters were; 10ng/L for D3, 13ng/L for D4, 180ng/L for D5, and 18ng/L for D6...
February 13, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28198061/antiinflammatory-oxicams-as-multi-donor-ligand-systems-ph-and-solvent-dependent-coordination-modes-of-meloxicam-and-piroxicam-to-ru-and-os
#6
Farhana Aman, Muhammad Hanif, Mario Kubanik, Adnan Ashraf, Tilo Soehnel, Stephen Jamieson, Waseeq Siddiqui, Christian Hartinger
The nitrogen- and sulfur-containing 1,2-benzothiazines meloxicam and piroxicam are widely used as nonsteroidal antiinflammatory drugs. Intrigued by the presence of multiple donor atoms and therefore a potentially rich coordination chemistry, we prepared a series of organometallic Ru and Os compounds with meloxicam and piroxicam featuring either as mono- or bidentate ligand systems. The choice of the solvent and the pH value was identified as the critical parameter to achieve selectively mono- or bidentate coordination...
February 14, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28195476/solvation-of-uracil-and-its-derivatives-by-dmso-a-dft-supported-1-h-nmr-and-13-c-nmr-study
#7
Dominika Antonina Kubica, Sergey Molchanov, Adam Gryff-Keller
(1)H NMR and (13)C NMR spectra of uracil, thymine, 5-hydroxymethyluracil, 5,6-dihydrouracil and 5,6-dihydrothymine in DMSO-d6 solutions have been measured. Additionally, molecular structures as well as NMR parameters of these compounds and their various solvates have been calculated using DFT B3LYP/6-311++G(2d,p) PCM(DMSO) method. The analysis of the chemical shift data for these compounds has shown that, indeed, in DMSO solutions they occur as equilibrium mixtures of free molecules and solvates in which solute and solvent molecules are joined by NH···O and/or OH···O hydrogen bonds...
February 14, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28195380/small-molecule-mixture-analysis-by-heteronuclear-nmr-under-spin-diffusion-conditions-in-the-viscous-dmso-water-solvent
#8
Pedro Lameiras, Solène Patis, Jouda Jakhlal, Stéphanie Castex, Pascale Clivio, Jean-Marc Nuzillard
Spin diffusion in NMR occurs for small and medium-sized molecules when their tumbling rate reduces in solution so that magnetization exchange by longitudinal cross relaxation becomes highly efficient. Composite DMSO-water viscous solvents were used for the first time to access the individual NMR spectra of mixture components in spin diffusion conditions. The easy handling and high dissolution power of [D6]DMSO/H2O offers a wide range of potential applications for polar and apolar mixture analysis. In addition to 2D 1H-1H NOESY and 1H-13C HSQC-NOESY, 1H-15N HSQC-NOESY, 1D and 2D 1H-19F HOESY experiments were set up to offer new ways to individualize molecules within a mixture...
February 13, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28174130/identification-and-expression-of-nuclear-receptor-genes-and-ecdysteroid-titers-during-nymphal-development-in-the-spider-agelena-silvatica
#9
Yoshiko Honda, Wataru Ishiguro, Mari H Ogihara, Hiroshi Kataoka, DeMar Taylor
Ecdysteroids play an essential role in the regulation of the molting processes of arthropods. Nuclear receptors of the spider Agelena silvatica that showed high homology with other arthropods especially in the functional domains were identified, two isoforms of ecdysone receptor (AsEcRA, AsEcRB), retinoid X receptor (AsRXR) and two isoforms of E75 (AsE75A, AsE75D). AsEcR and AsRXR mRNA did not show major changes in expression but occurred throughout the third instar nymphal stage. AsE75DBD was low or non-existent at first then showed a sudden increase from D7 to D10...
February 4, 2017: General and Comparative Endocrinology
https://www.readbyqxmd.com/read/28171814/new-dyes-for-dssc-containing-triphenylamine-based-extended-donor-synthesis-photophysical-properties-and-device-performance
#10
Palas Baran Pati, Wenxing Yang, Sanjio S Zade
Three new triphenylamine based dyes with Donor-Donor-Spacer-Acceptor (D-D-π-A) arrangement were designed and synthesized by convenient synthetic pathway. Unsymmetrical extended donor part may help to reduce the aggregation of dyes on the semiconductor surface. Wide range of absorption in the visible spectrum, electrochemical studies and theoretical optimization suggest that these dyes can be good members for DSSC. Further to check the performance of these dyes in device the solar cells were developed using iodine free Co-based electrolyte...
January 26, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28167238/serum-from-postmenopausal-women-treated-with-a-by-product-of-olive-oil-extraction-process-stimulates-osteoblastogenesis-and-inhibits-adipogenesis-in-human-mesenchymal-stem-cells-msc
#11
Antonio Casado-Díaz, Isaac Túnez-Fiñana, José María Mata-Granados, María Victoria Ruiz-Méndez, Gabriel Dorado, María Concepción Romero-Sánchez, Cristina Navarro-Valverde, José Manuel Quesada-Gómez
Aging may enhance both oxidative stress and bone-marrow mesenchymal stem-cell (MSC) differentiation into adipocytes. That reduces osteoblastogenesis, thus favoring bone-mass loss and fracture, representing an important worldwide health-issue, mainly in countries with aging populations. Intake of antioxidant products may help to retain bone-mass density. Interestingly, a novel olive-pomace physical treatment to generate olive oil also yields by-products rich in functional antioxidants. Thus, diet of postmenopausal women was supplemented for two months with one of such by-products (distillate 6; D6), being rich in squalene...
February 3, 2017: Experimental Gerontology
https://www.readbyqxmd.com/read/28164671/urinary-intestine-fatty-acid-binding-protein-is-associated-with-poor-outcome-of-pneumonia-patients-in-intensive-care-unit
#12
Sai-Wai Ho, Shi-Chuan Chang, Lee-Wei Chen
BACKGROUND: Urinary intestine fatty acid binding protein (U-IFABP) is a biomarker for gut injury. Previous studies showed that enterocyte damage in critically ill patients was common and appeared to be associated with poor prognosis. However, the impact of enterocyte damage on the outcome of critically ill patients with pneumonia has not yet been well investigated. The aim of the study is to evaluate the prognostic value of U-IFABP in critically ill patients with pneumonia. METHODS: A prospective observational study was performed in the intensive care unit (ICU) from September 1, 2013 to April 30, 2014...
November 1, 2016: Clinical Laboratory
https://www.readbyqxmd.com/read/28137189/heat-killed-cell-preparation-of-corynebacterium-glutamicum-stimulates-the-immune-activity-and-improves-survival-of-mice-against-enterohemorrhagic-escherichia-coli
#13
Makoto Ebisawa, Takamitsu Tsukahara, Ryosuke Fudou, Yasuhiro Ohta, Mitsunori Tokura, Norimasa Onishi, Takeshi Fujieda
Fermentation by Corynebacterium glutamicum is used by various industries to produce L-Glutamate, and the heat-killed cell preparation of this bacterium (HCCG) is a by-product of the fermentation process. In present study, we evaluated the immunostimulating and survival effects against enterohemorrhagic Escherichia coli (STEC) infection of HCCG. HCCG significantly stimulated in vitro IgA and interleukin-12 p70 production in murine Peyer's patch cells and peritoneal macrophages, respectively. Oral administration of 10 mg/kg body weight (BW) of HCCG for seven consecutive days stimulated IgA concentration in murine cecal digesta...
January 30, 2017: Bioscience, Biotechnology, and Biochemistry
https://www.readbyqxmd.com/read/28133938/characterisation-of-hallucinogenic-phenethylamines-using-high-resolution-mass-spectrometry-for-non-targeted-screening-purposes
#14
Daniel Pasin, Adam Cawley, Sergei Bidny, Shanlin Fu
Hallucinogenic phenethylamines such as 2,5-dimethoxyphenethylamines (2C-X) and their N-(2-methoxybenzyl) derivatives (25X-NBOMe) has seen an increase in novel analogues in recent years. These rapidly changing analogues make it difficult for laboratories to rely on traditional targeted screening methods to detect unknown new psychoactive substances (NPS). In this study, twelve 2C-X, six 2,5-dimethoxyamphetamines (DOX) and fourteen 25X-NBOMe derivatives, including two deuterated derivatives (2C-B-d6 and 25I-NBOMe-d9 ), were analysed using ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS)...
January 29, 2017: Drug Testing and Analysis
https://www.readbyqxmd.com/read/28114341/the-major-depressive-disorder-hierarchy-rasch-analysis-of-6-items-of-the-hamilton-depression-scale-covering-the-continuum-of-depressive-syndrome
#15
Lucas Primo de Carvalho Alves, Marcelo Pio de Almeida Fleck, Aline Boni, Neusa Sica da Rocha
OBJECTIVES: Melancholic features of depression (MFD) seem to be a unidimensional group of signs and symptoms. However, little importance has been given to the evaluation of what features are related to a more severe disorder. That is, what are the MFD that appear only in the most depressed patients. We aim to demonstrate how each MFD is related to the severity of the major depressive disorder. METHODS: We evaluated both the Hamilton depression rating scale (HDRS-17) and its 6-item melancholic subscale (HAM-D6) in 291 depressed inpatients using Rasch analysis, which computes the severity of each MFD...
2017: PloS One
https://www.readbyqxmd.com/read/28111313/spinal-dural-arteriovenous-fistula-is-there-a-role-for-intra-operative-contrast-enhanced-ultrasound
#16
Francesco Prada, Massimiliano Del Bene, Giuseppe Faragò, Francesco DiMeco
BACKGROUND: Intra-operative imaging during surgical ligation of a spinal dural arteriovenous fistula (SDAVF) is usually based on fluorescence angiography, intra-operative ultrasound with Doppler modality and intra-operative digital subtraction angiography. The aim of our work was to explore the potential role of contrast enhanced ultrasound (CEUS) during surgical management of SDAVF. SDAVF main features in CEUS prior to treatment are described together with their modifications after surgical ligation Case Description CEUS was performed using harmonic imaging with a second generation ultrasound contrast agent (SonoVue) in a case of right D6 spinal dorsal arterio-venous fistula...
January 19, 2017: World Neurosurgery
https://www.readbyqxmd.com/read/28099785/a-dual-topoisomerase-inhibitor-of-intense-pro-apoptotic-and-antileukemic-nature-for-cancer-treatment
#17
Christopher Meier, Tamara N Steinhauer, Fabian Koczian, Birte Plitzko, Katharina Jarolim, Ulrich Girreser, Simone Braig, Doris Marko, Angelika M Vollmar, Bernd Clement
Classic cytotoxic drugs constantly remain an indispensable instrument in antitumor therapy due to their effectiveness and a more prevalent insensibility against tumor resistance mechanisms. We describe the favorable properties of P8-D6, a powerful inductor of apoptosis caused by an equipotent inhibition of human topoisomerase I and II activities. A broad spectrum effect against human tumor cell lines in nanomolar concentrations as well as strong anti-leukemic effects were shown and proven to be superior to marketed topo-targeting drugs and dual topoisomerase inhibitors in clinical trials...
January 18, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28096328/dynamic-pin-formed-auxin-efflux-carrier-phosphorylation-at-the-plasma-membrane-controls-auxin-efflux-dependent-growth
#18
Benjamin Weller, Melina Zourelidou, Lena Frank, Inês C R Barbosa, Astrid Fastner, Sandra Richter, Gerd Jürgens, Ulrich Z Hammes, Claus Schwechheimer
The directional distribution of the phytohormone auxin is essential for plant development. Directional auxin transport is mediated by the polarly distributed PIN-FORMED (PIN) auxin efflux carriers. We have previously shown that efficient PIN1-mediated auxin efflux requires activation through phosphorylation at the four serines S1-S4 in Arabidopsis thaliana The Brefeldin A (BFA)-sensitive D6 PROTEIN KINASE (D6PK) and the BFA-insensitive PINOID (PID) phosphorylate and activate PIN1 through phosphorylation at all four phosphosites...
January 31, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28096157/resistance-to-thiacetazone-derivatives-active-against-mycobacterium-abscessus-involves-mutations-in-the-mmpl5-transcriptional-repressor-mab_4384
#19
Iman Halloum, Albertus Viljoen, Varun Khanna, Derek Craig, Christiane Bouchier, Roland Brosch, Geoffrey Coxon, Laurent Kremer
Available chemotherapeutic options are very limited against Mycobacterium abscessus, which imparts a particular challenge in the treatment of cystic fibrosis (CF) patients infected with this rapid-growing mycobacterium. New drugs are urgently needed against this emerging pathogen, but the discovery of active chemotypes has not been performed intensively. Interestingly, however, the repurposing of thiacetazone (TAC), a drug once used to treat tuberculosis, has increased following the deciphering of its mechanism of action and the detection of significantly more potent analogues...
January 17, 2017: Antimicrobial Agents and Chemotherapy
https://www.readbyqxmd.com/read/28077381/metabolic-syndrome-increases-dietary-%C3%AE-tocopherol-requirements-as-assessed-using-urinary-and-plasma-vitamin-e-catabolites-a-double-blind-crossover-clinical-trial
#20
Maret G Traber, Eunice Mah, Scott W Leonard, Gerd Bobe, Richard S Bruno
BACKGROUND: Vitamin E supplementation improves liver histology in patients with nonalcoholic steatohepatitis, which is a manifestation of the metabolic syndrome (MetS). We reported previously that α-tocopherol bioavailability in healthy adults is higher than in those with MetS, thereby suggesting that the latter group has increased requirements. OBJECTIVE: We hypothesized that α-tocopherol catabolites α-carboxyethyl hydroxychromanol (α-CEHC) and α-carboxymethylbutyl hydroxychromanol (α-CMBHC) are useful biomarkers of α-tocopherol status...
January 11, 2017: American Journal of Clinical Nutrition
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