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Ab 101

Michael F La Fountaine, Christopher M Cirnigliaro, Steven C Kirshblum, Cristin McKenna, William A Bauman
BACKGROUND: Interruption of sympathetic innervation to the liver and visceral adipose tissue (VAT) in animal models has been reported to reduce VAT lipolysis and hepatic secretion of very low density lipoprotein (VLDL) and concentrations of triglyceride-rich lipoprotein particles. Whether functional impairment of sympathetic nervous system (SNS) innervation to tissues of the abdominal cavity reduce circulating concentrations of triglyceride (TG) and VLDL particles (VLDL-P) was tested in men with spinal cord injury (SCI)...
2017: PloS One
Michael P Ziemkiewicz, Christian Pluetzer, Michael Wojcik, Jérôme Loreau, Ad van der Avoird, David J Nesbitt
Vibrationally state selective overtone spectroscopy and dynamics of weakly bound Ne-H2O complexes (D0((para)) = 31.67 cm(-1), D0((ortho)) = 34.66 cm(-1)) are reported for the first time, based on near infrared excitation of van der Waals cluster bands correlating with vOH = 2 ← 0 overtone transitions (|02(-)⟩←|00(+)⟩ and |02(+)⟩←|00(+)⟩) out of the ortho (101) and para (000) internal rotor states of the H2O moiety. Quantum theoretical calculations for nuclear motion on a high level ab initio potential energy surface (CCSD(T)/VnZ-f12 (n = 3,4), corrected for basis set superposition error and extrapolated to the complete basis set limit) are employed for assignment of Σ←Σ,Π←Σ, and Σ←Π infrared bands in the overtone spectra, where Σ(K = 0) and Π (K = 1) represent approximate projections (K) of the body angular momentum along the Ne-H2O internuclear axis...
March 14, 2017: Journal of Chemical Physics
Yisheng Chen, Jing Gao, Haomin Zhang, Chunmei Ying
The rapid expansion of carbapenem-resistant Acinetobacter baumannii (CRAB) clinical isolates is a big issue. We investigated the antibiotic susceptibility, molecular epidemiology and resistance gene of A. baumannii collected at two hospitals in Shanghai, China. Besides, the A. baumannii PCR-based replicon typing method (AB-PBRT) was conducted to categorize the plasmids into homogeneous groups on the basis of replicase genes. Most CRAB isolates showed high-level resistance to almost all antibiotics but retain susceptibility to colistin and tigecycline...
2017: Frontiers in Microbiology
Pooja Jaiswal, Yogesh Saxena, Rani Gupta, Rajeev Mohan Kaushik
BACKGROUND: Central nervous system (CNS) involvement is insidious and may occur early in subclinical hypothyroid (SCH) state which can be picked up by electrophysiological study. This study aims to record visual evoked potential (VEP), event-related latency and cognitive functions, and find their association with the levels of serum thyroid-stimulating hormone (TSH) in patients with SCH. MATERIALS AND METHODS: In this cross-sectional study, 36 adult SCH patients and an equal number of age- and sex-matched euthyroid controls were included...
December 2016: Journal of Neurosciences in Rural Practice
Daniele Selli, Cristiana Di Valentin
In biomedical applications, TiO2 nanoparticles are generally coated with polymers to prevent agglomeration, improve biocompatibility, and reduce cytotoxicity. Although the synthesis processes of such composite compounds are well established, there is still a substantial lack of information on the nature of the interaction between the titania surface and the organic macromolecules. In this work, the adsorption of polyethylene glycol (PEG) on the TiO2 (101) anatase surface is modeled by means of dispersion-corrected density functional theory (DFT-D2) calculations...
December 29, 2016: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
A Bourgouin, M McEwen
PURPOSE: To investigate the behavior of ionization chambers over a wide pressure range. METHODS: Three cylindrical and two parallel-plate designs of ion chamber were investigated. The ion chambers were placed in vessel where the pressure was varied from atmospheric (101 kPa) down to 5 kPa. Measurements were made using 60Co and high-energy electron beams. The pressure was measured to better than 0.1% and multiple data sets were obtained for each chamber at both polarities to investigate pressure cycling and dependency on the sign of the charge collected...
June 2016: Medical Physics
Zhihong Wang, Chengzhang Wang, Jiaojiao Yuan, Changwei Zhang
In this study, the adsorption properties of nine resins including polyamide resin (30-60), polyamide resin (60-100) AB-8, S-8, D-101, NKA-9, NKA-II, XDA-1 and XDA-4 for enrichment phenolics of the olive waste were investigated. XDA-1 and NKA-II were chosen for further study due to their outstanding adsorption and desorption capacity. XDA-1 and NKA-II had similar adsorption and desorption behaviors for phenolics of olive waste. The adsorption mechanism could be better explained by pseudo second-order kinetics model and Freundlich isotherm model, and the adsorption processes were spontaneously and exothermic...
January 1, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Joshua A Rackers, Qiantao Wang, Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren, Jay W Ponder
The principal challenge of using classical physics to model biomolecular interactions is capturing the nature of short-range interactions that drive biological processes from nucleic acid base stacking to protein-ligand binding. In particular most classical force fields suffer from an error in their electrostatic models that arises from an ability to account for the overlap between charge distributions occurring when molecules get close to each other, known as charge penetration. In this work we present a simple, physically motivated model for including charge penetration in the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Applications) force field...
December 21, 2016: Physical Chemistry Chemical Physics: PCCP
Khalid Hamid Changal, Ab Hameed Raina, Adnan Raina, Manzoor Raina, Rehana Bashir, Muzamil Latief, Tanveer Mir, Qayum Hamid Changal
BACKGROUND: Secondary dengue causes more severe disease than the primary. Early on, it is important to differentiate the two. We tried to find important clinical and laboratory differences between the two for the purpose of early differentiation. METHODS: One hundred fourteen patients confirmed on reverse transcriptase-polymerase chain reaction (RT PCR) were studied. On day 2 of illness IgM and IgG indices were studied for calculation of IgG/IgM ratio. A one-step immunochromatographic assay was used for classification of patients into primary and secondary dengue...
November 28, 2016: BMC Infectious Diseases
Serlİ Önlü, Melek Türker Saçan
The authors constructed novel, robust, and validated linear Quantitative Structure-Toxicity Relationship (QSTR) models in line with Organisation of Co-operation and Development (OECD) criteria using 2 cytotoxicity data sets which were obtained from the Alamar Blue and 5-carboxyfluorescein diacetate acetoxymethyl ester (CFDA-AM) assays. The data sets comprise the cytotoxic effect of structurally diverse and widely used pharmaceuticals, synthetic musks, and industrial chemicals on the rainbow trout (Oncorhynchus mykiss) liver cell line RTL-W1...
May 2017: Environmental Toxicology and Chemistry
Mark J DelloStritto, James D Kubicki, Jorge O Sofo
We use ab initio molecular dynamics simulations to study the effect of ions on the structure and dynamics of the quartz(101)-water interface. We study several IA (Na(+), Rb(+)) and IIA (Mg(2+), Sr(2+)) cations, with Cl(-) as counterion, adsorbed onto acidic, neutral, and basic surface configurations at 300 and 373 K. We find that both cations and anions can bond directly to the surface and perturb the local H-bond network. The adsorbed ions promote the formation of intrasurface H-bonds, as shown by vibrational density of states and orientations of the surface silanols...
November 8, 2016: Langmuir: the ACS Journal of Surfaces and Colloids
Xinyang Li, Xiaobo Duan, Kai Yang, Wei Zhang, Changjiang Zhang, Longfei Fu, Zhe Ren, Changxi Wang, Jinghua Wu, Ruxue Lu, Yanrui Ye, Mengying He, Chao Nie, Naibo Yang, Jian Wang, Huanming Yang, Xiao Liu, Wen Tan
Compared to classical antibodies, camel heavy chain antibodies (HCAbs) are smaller in size due to lack of the light chain and the first constant domain of the heavy chain (CH1 region). The variable regions of HCAbs (VHHs) are more soluble and stable than that of conventional antibodies (VHs). Even with such simple structure, they are still functional in antigen binding. Although HCAbs have been extensively investigated over the past two decades, most efforts have been based upon low throughput sequence analysis, and there are only limited reports trying to analyze and describe the complete immune repertoire (IR) of camel HCAbs...
2016: PloS One
Katharine D Currie, Christopher R West, Eric J Stöhr, Andrei V Krassioukov
Reduced left ventricular (LV) function is common in tetraplegia, yet it is unknown whether intrinsic myocardial function is attenuated. This study examined the effect of SCI and exercise-training status on LV mechanics (intrinsic function) and LV systolic/diastolic function by comparing untrained (UT) and trained (TT) individuals with tetraplegia and able-bodied (AB) individuals. Individuals with tetraplegia had a traumatic, chronic, motor-complete cervical spinal cord injury. Nine UT males (40 ± 10 years), 8 TT males (30 ± 5 years), and nine AB males (37 ± 9 years) participated in the study...
February 2017: Journal of Neurotrauma
Meicheng Wen, Yiwen Cui, Yasutaka Kuwahara, Kohsuke Mori, Hiromi Yamashita
In this work, we propose a straightforward method to enhance the catalytic activity of AB dehydrogenation by using non-noble-metal nanoparticle supported on chromium-based metal-organic framework (MIL-101). It was demonstrated to be effective for hydrogen generation from ammonia borane under assistance of visible light irradiation as a noble-metal-free catalyst. The catalytic activity of metal nanoparticles supported on MIL-101 under visible light irradiation is remarkably higher than that without light irradiation...
August 24, 2016: ACS Applied Materials & Interfaces
Rajesh K Raju, Ashfaq A Bengali, Edward N Brothers
We applied a test set of ligand dissociation enthalpies derived entirely from a unified experimental approach to evaluate the efficacy of various methods for modeling organometallic chemistry. This differs from most benchmarking studies, as it is common to evaluate theoretical methods by using more computationally expensive calculations to provide the "target" values. With an aim of presenting the 'best suited functional/functionals' for calculations involving the metal-ligand bond dissociation enthalpies (BDEs) of organometallic complexes, we utilized a database of 30 experimental metal-ligand bond dissociation enthalpies, and tested for 101 density functionals and 2 ab initio methods, all with a large basis set...
September 21, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Shengjie Ge, Jing Xie, Lequn Zheng, Lijuan Yang, Hong Zhu, Xingbo Cheng, Feixia Shen
AIMS: To investigate the associations between inflammatory markers, serum anti-ganglioside antibodies (anti-GS-ab), serum plasminogen activator inhibitor-1 (PAI-1), tumor necrosis factor-α (TNF-α), C-reactive protein (CRP), and diabetic peripheral neuropathy (DPN). METHODS: Study subjects were divided into three groups: normal group (N group) with 101 healthy individuals; diabetes mellitus without peripheral neuropathy group (DM group) with 87 patients; and DPN group with 178 cases...
May 2016: Diabetes Research and Clinical Practice
Rajeev Jain, Ankita Sinha, Ab Lateef Khan
A novel polyaniline-graphene oxide nanocomposite (PANI/GO/GCE) sensor has been fabricated for quantification of a calcium channel blocker drug levamlodipine (LAMP). Fabricated sensor has been characterized by electrochemical impedance spectroscopy, square wave and cyclic voltammetry, Raman spectroscopy and Fourier transform infrared (FTIR) spectroscopy. The developed PANI/GO/GCE sensor has excellent analytical performance towards electrocatalytic oxidation as compared to PANI/GCE, GO/GCE and bare GCE. Under optimized experimental conditions, the fabricated sensor exhibits a linear response for LAMP for its oxidation over a concentration range from 1...
August 1, 2016: Materials Science & Engineering. C, Materials for Biological Applications
Patrick Waters, Markus Reindl, Albert Saiz, Kathrin Schanda, Friederike Tuller, Vlastimil Kral, Petra Nytrova, Ondrej Sobek, Helle Hvilsted Nielsen, Torben Barington, Søren T Lillevang, Zsolt Illes, Kristin Rentzsch, Achim Berthele, Tímea Berki, Letizia Granieri, Antonio Bertolotto, Bruno Giometto, Luigi Zuliani, Dörte Hamann, E Daniëlle van Pelt, Rogier Hintzen, Romana Höftberger, Carme Costa, Manuel Comabella, Xavier Montalban, Mar Tintoré, Aksel Siva, Ayse Altintas, Günnur Deniz, Mark Woodhall, Jacqueline Palace, Friedemann Paul, Hans-Peter Hartung, Orhan Aktas, Sven Jarius, Brigitte Wildemann, Christian Vedeler, Anne Ruiz, M Isabel Leite, Peter Trillenberg, Monika Probst, Sandra Saschenbrecker, Angela Vincent, Romain Marignier
OBJECTIVE: Antibodies to cell surface central nervous system proteins help to diagnose conditions which often respond to immunotherapies. The assessment of antibody assays needs to reflect their clinical utility. We report the results of a multicentre study of aquaporin (AQP) 4 antibody (AQP4-Ab) assays in neuromyelitis optica spectrum disorders (NMOSD). METHODS: Coded samples from patients with neuromyelitis optica (NMO) or NMOSD (101) and controls (92) were tested at 15 European diagnostic centres using 21 assays including live (n=3) or fixed cell-based assays (n=10), flow cytometry (n=4), immunohistochemistry (n=3) and ELISA (n=1)...
September 2016: Journal of Neurology, Neurosurgery, and Psychiatry
J Sivek, H Sahin, B Partoens, F M Peeters
Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2...
May 18, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Eisuke Chikayama, Yudai Shimbo, Keiko Komatsu, Jun Kikuchi
NMR spectroscopy is a powerful method for analyzing metabolic mixtures. The information obtained from an NMR spectrum is in the form of physical parameters, such as chemical shifts, and construction of databases for many metabolites will be useful for data interpretation. To increase the accuracy of theoretical chemical shifts for development of a database for a variety of metabolites, the effects of sets of conformations (structural ensembles) and the levels of theory on computations of theoretical chemical shifts were systematically investigated for a set of 29 small molecules in the present study...
April 14, 2016: Journal of Physical Chemistry. B
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