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https://www.readbyqxmd.com/read/28088137/forces-on-nuclei-moving-on-autoionizing-molecular-potential-energy-surfaces
#1
Nimrod Moiseyev
Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths...
January 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28081355/oral-delivery-of-probiotics-in-poultry-using-ph-sensitive-tablets
#2
Tao Jiang, Hui-Shan Li, Geon Goo Han, Bijay Singh, Sang-Kee Kang, Jin-Duck Bok, Dae-Duk Kim, Zhong-Shan Hong, Yun-Jaie Choi, Chong-Su Cho
As alternatives to antibiotics in live stocks, probiotics have been used although most of them in the form of liquid or semisolid formulations which show low cell viability after oral administration. Therefore, suitable dry dosage forms should be developed for live stocks to protect probiotics against the low pH in the stomach such that the products have higher probiotics survivability. Here, in order to develop a dry dosage forms of probiotics for poultry, we used hydroxyproyl methylcellulose phthalate 55 (HPMCP 55) as a tablet forming matrix to develop probiotics in a tablet form for poultry...
January 12, 2017: Journal of Microbiology and Biotechnology
https://www.readbyqxmd.com/read/28074742/development-and-validation-of-an-rp-hplc-method-for-the-determination-of-vinpocetine-and-folic-acid-in-the-presence-of-a-vinpocetine-alkaline-degradation-product-in-bulk-and-in-capsule-form
#3
Ehab F Elkady, Marwa H Tammam, Ayman A Mohamed
An alkaline-forced degradation hydrolytic product of vinpocetine was prepared and characterized by <sup>1</sup>H-NMR, FTIR spectroscopy, and MS. Subsequently, a simple, selective, and validated reversed-phase HPLC method was developed for the simultaneous estimation of vinpocetine and folic acid in the presence of a vinpocetine alkaline degradation product. Chromatographic separation was achieved using an isocratic mobile phase consisting of acetonitrile-0.02 M KH<sub>2</sub>PO<sub>4</sub> [containing 0...
January 11, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28066693/society-of-pediatric-psychology-workforce-survey-development-of-survey-methods-sample-characteristics-and-lessons-learned
#4
Tim Wysocki, Cheryl L Brosig, Marisa E Hilliard
There are few detailed workforce studies of specialty fields within professional psychology, and none have been reported for pediatric psychology since 2006. Availability of such data could facilitate more-informed decision making by students and trainees, psychologists pursuing employment opportunities, and psychologists involved in employment or compensation negotiations. This article describes the work of a task force of the American Psychological Association (APA) Division 54 (Society of Pediatric Psychology) in the design, construction, pretesting, distribution, and data management for the Society of Pediatric Psychology (SPP) Workforce Survey...
March 2016: Clinical Practice in Pediatric Psychology
https://www.readbyqxmd.com/read/28063187/characterization-of-degradation-products-of-silodosin-under-stress-conditions-by-liquid-chromatography-ftms
#5
Sukanya Pandeti, T Narender, S Prabhakar, Reddy Jagadeswar Thota
RATIONALE: Silodosin (SDN) is a novel α1 -adrenoceptor antagonist in the treatment of benign prostatic hyperplasia (BPH). The presence of degradation products in a drug affects not only the quality, but also the safety and efficacy of drug formulation. Thus, it is essential to develop an efficient analytical method which could be useful to selectively separate, identify and characterise of all possible degradation products of SDN is mandatory in drug development processes. METHODS: SDN was subjected to forced degradation under hydrolytic (acid, base and neutral), oxidative, photolytic and thermal stress conditions...
January 6, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28062963/does-demand-for-breast-augmentation-reflect-national-financial-trends
#6
L Kearney, R T Dolan, A J Clover, E J Kelly, E O'Broin, M O'Shaughnessy, S T O'Sullivan
: Aesthetic plastic surgery is a consumer-driven industry, subject to influence by financial forces. A changing economic environment may thus impact on the demand for surgery. The aim of this study was to explore trends in demand for bilateral breast augmentation (BBA) in consecutively presenting patients over an 11-year period and to examine if a correlation exists between these trends and changes in Gross Domestic Product (GDP), a key economic indicator. This study revealed a correlation between annual number of breast augmentation procedures performed and GDP values (r (2) = 0...
January 7, 2017: Aesthetic Plastic Surgery
https://www.readbyqxmd.com/read/28061030/regeneration-of-%C3%AE-carotene-from-radical-cation-by-eugenol-isoeugenol-and-clove-oil-in-the-marcus-theory-inverted-region-for-electron-transfer
#7
Hui-Ting Chang, Hong Cheng, Rui-Min Han, Peng Wang, Jian-Ping Zhang, Leif H Skibsted
Rate of regeneration of β-carotene by eugenol from the β-carotene radical cation, an initial bleaching product of β-carotene, was found by laser flash photolysis and transient absorption spectroscopy to be close to the diffusion limit in chloroform/methanol (9:1, v:v) with a second-order rate constant (k2) of 4.3×109 Lmol-1s-1. at 23 °C. Isoeugenol, more reducing with a standard reduction potential 100 mV lower than eugenol, was slower with k2 = 7.2 ×108 Lmol-1s-1. Regeneration of β-carotene following photobleaching was found 50% more efficient by eugenol, indicating that for the more reducing isoeugenol, the driving force exceeds the reorganization energy for electron transfer significantly in the Marcus theory inverted region...
January 6, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28046108/norovirus-and-sapovirus-epidemiology-and-strain-characteristics-among-navajo-and-apache-infants
#8
Lindsay R Grant, Katherine L O'Brien, Robert C Weatherholtz, Raymond Reid, Novalene Goklish, Mathuram Santosham, Umesh Parashar, Jan Vinjé
Norovirus and sapovirus are important causes of acute gastroenteritis (AGE) among American Indian infants. We investigated the prevalence and molecular epidemiology of norovirus and sapovirus in American Indian infants who have historically experienced a high burden of AGE compared to other US populations. Stool samples were collected from 241 children with AGE (cases) and from 343 infants without AGE (controls) ≤9 months of age from 2002-2004. Cases experienced forceful vomiting and/or 3 or more watery or looser-than-normal stools in 24 hours...
2017: PloS One
https://www.readbyqxmd.com/read/28040932/coaxial-air-flow-device-for-the-production-of-millimeter-sized-spherical-hydrogel-particles
#9
Marcel Workamp, Sepideh Alaie, Joshua A Dijksman
We describe a method to produce millimeter-sized hydrogel particles, by dispersing aqueous droplets in an oil using a nozzle and subsequently solidifying them. We show that we can vary the size of the particles using an air flow along the nozzle. The resulting particle size can be well predicted by a simple model where a drag force generated by the air flow, adds to the weight pulling the droplet from the nozzle. Particles produced using this method have diameters ranging from 0.7 to 2.3 mm. Production rates up to 0...
December 2016: Review of Scientific Instruments
https://www.readbyqxmd.com/read/28027509/charmm-force-field-parameters-for-2-hydroxybiphenyl-2-sulfinate-2-hydroxybiphenyl-and-related-analogs
#10
Yue Yu, Ishan A Fursule, Landon C Mills, Derek L Englert, Brad J Berron, Christina M Payne
2'-Hydroxybiphenyl-2-sulfinate (HBPS) desulfinase (DszB) catalyzes the cleavage of the carbon-sulfur bond from HBPS in the final step of microbial 4S pathway desulfurization reactions. DszB is notable for its substrate specificity and exhibits product inhibition, both of which hinder the overall 4S pathway turnover rate. To understand the molecular-level contributions to substrate and inhibitor binding to DszB, we plan to perform molecular dynamic simulations bound to an array of naphthenic molecules and biphenyl analogues of HBPS...
December 15, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28009532/feed-forward-regulation-of-self-selected-exercise-intensity-in-response-to-different-rates-of-arterial-deoxygenation
#11
Saro D Farra
Arterial desaturation impairs exercise performance in a dose-dependent manner. However, new theories of exercise-induced fatigue suggest that increasing rates of arterial deoxygenation augment the fatigue response during exercise. The purpose of this dissertation is to clarify if self-selected exercise intensity, while exercising at a constant rate of perceived exertion (RPE), is sensitive to alterations in the absolute arterial saturation (SPO2) and/or the rate of change in SPO2. Subjects performed constant RPE exercise for 30 min...
January 2017: Applied Physiology, Nutrition, and Metabolism, Physiologie Appliquée, Nutrition et Métabolisme
https://www.readbyqxmd.com/read/27995585/physical-and-mechanical-characterization-of-plla-interference-screws-produced-by-two-stage-injection-molding-method
#12
Ali Reza Sadeghi-Avalshahr, Mohammad Khorsand-Ghayeni, Samira Nokhasteh, Amir Mahdi Molavi, Mohammad Sadeghi-Avalshahr
The purpose of this study was to produce and evaluate different mechanical, physical and in vitro cell culture characteristics of poly(L-lactic) acid (PLLA) interference screws. This work will focus on evaluating the effect of two important parameters on operation of these screws, first the tunnel diameter which is one of the most important parameters during the operation and second the thermal behavior, the main effective characteristic in production process. In this work, PLLA screws were produced by a two-stage injection molding machine...
December 2016: Progress in biomaterials
https://www.readbyqxmd.com/read/27992663/persistence-of-alprazolam-in-river-water-according-to-forced-and-non-forced-degradation-assays-adsorption-to-sediment-and-long-term-degradation-products
#13
Juan J Jiménez, María I Sánchez, Beatriz E Muñoz, Rafael Pardo
Alprazolam is a pharmaceutical compound that it is detected in surface waters. Some degradation studies in aqueous solutions and pharmaceutical products are available, but there is not reliable information about its stability in river water. Here, assays have been conducted under forced biological, photochemical and thermal conditions, and non-forced conditions, to estimate the fate of alprazolam in river water and know its degradation products. The forced assays indicated that the biological and photochemical degradation of alprazolam was negligible, only the heating at 70 °C for a long time affected it scarcely...
December 19, 2016: Drug Testing and Analysis
https://www.readbyqxmd.com/read/27988488/identification-and-structure-elucidation-of-forced-degradation-products-of-the-novel-propionic-acid-derivative-loxoprofen-development-of-stability-indicating-chromatographic-methods-validated-as-per-ich-guidelines
#14
Maya S Eissa, Osama I Abd El-Sattar
Loxoprofen sodium (LOX) is a recently developed novel propionic acid derivative. Owing to its instability under both hydrolytic and oxidative conditions, the development of simple, rapid and sensitive methods for its determination in the presence of its possible forced degradation products becomes essential. Two simple chromatographic methods, high-performance thin layer chromatography (HPTLC) and high-performance liquid chromatography (HPLC), were developed associated with ultraviolet (UV) detection. In HPTLC-densitometric method, the separation of LOX from its degradation products was achieved using silica gel F254 plates and toluene:acetone:acetic acid (1...
December 17, 2016: Journal of Chromatographic Science
https://www.readbyqxmd.com/read/27984313/electrical-stimulation-of-artificial-heart-muscle-a-look-into-the-electrophysiological-and-genetic-implications
#15
Mohamed A Mohamed, Jose F Islas, Robert J Schwartz, Ravi K Birla
Development of tissue-engineered hearts for treatment of myocardial infarction or biological pacemakers has been hindered by the production of mostly arrhythmic or in-synergistic constructs. Electrical stimulation (ES) of these constructs has been shown to produce tissues with greater twitch force and better adrenergic response. In order to further our understanding of the mechanisms underlying the effect of ES, we fabricated a bioreactor capable of delivering continuous or intermittent waveforms of various types to multiple constructs simultaneously...
December 13, 2016: ASAIO Journal: a Peer-reviewed Journal of the American Society for Artificial Internal Organs
https://www.readbyqxmd.com/read/27967115/mesoscopic-kinetic-basis-of-macroscopic-chemical-thermodynamics-a-mathematical-theory
#16
Hao Ge, Hong Qian
Gibbs' macroscopic chemical thermodynamics is one of the most important theories in chemistry. Generalizing it to mesoscaled nonequilibrium systems is essential to biophysics. The nonequilibrium stochastic thermodynamics of chemical reaction kinetics suggested a free energy balance equation dF^{(meso)}/dt=E_{in}-e_{p} in which the free energy input rate E_{in} and dissipation rate e_{p} are both non-negative, and E_{in}≤e_{p}. We prove that in the macroscopic limit by merely allowing the molecular numbers to be infinite, the generalized mesoscopic free energy F^{(meso)} converges to φ^{ss}, the large deviation rate function for the stationary distributions...
November 2016: Physical Review. E
https://www.readbyqxmd.com/read/27959967/transfusion-80%C3%A2-c-frozen-blood-products-are-safe-and-effective-in-military-casualty-care
#17
Femke Noorman, Thijs T C F van Dongen, Marie-Christine J Plat, John F Badloe, John R Hess, Rigo Hoencamp
INTRODUCTION: The Netherlands Armed Forces use -80°C frozen red blood cells (RBCs), plasma and platelets combined with regular liquid stored RBCs, for the treatment of (military) casualties in Medical Treatment Facilities abroad. Our objective was to assess and compare the use of -80°C frozen blood products in combination with the different transfusion protocols and their effect on the outcome of trauma casualties. MATERIALS AND METHODS: Hemovigilance and combat casualties data from Afghanistan 2006-2010 for 272 (military) trauma casualties with or without massive transfusions (MT: ≥6 RBC/24hr, N = 82 and non-MT: 1-5 RBC/24hr, N = 190) were analyzed retrospectively...
2016: PloS One
https://www.readbyqxmd.com/read/27958276/stability-of-peatland-carbon-to-rising-temperatures
#18
R M Wilson, A M Hopple, M M Tfaily, S D Sebestyen, C W Schadt, L Pfeifer-Meister, C Medvedeff, K J McFarlane, J E Kostka, M Kolton, R K Kolka, L A Kluber, J K Keller, T P Guilderson, N A Griffiths, J P Chanton, S D Bridgham, P J Hanson
Peatlands contain one-third of soil carbon (C), mostly buried in deep, saturated anoxic zones (catotelm). The response of catotelm C to climate forcing is uncertain, because prior experiments have focused on surface warming. We show that deep peat heating of a 2 m-thick peat column results in an exponential increase in CH4 emissions. However, this response is due solely to surface processes and not degradation of catotelm peat. Incubations show that only the top 20-30 cm of peat from experimental plots have higher CH4 production rates at elevated temperatures...
December 13, 2016: Nature Communications
https://www.readbyqxmd.com/read/27942032/the-productivity-costs-of-premature-mortality-due-to-cancer-in-australia-evidence-from-a-microsimulation-model
#19
Hannah E Carter, Deborah J Schofield, Rupendra Shrestha
AIM: To estimate the productivity costs of premature mortality due to cancer in Australia, in aggregate and for the 26 most prevalent cancer sites. METHODS: A human capital approach was adopted to estimate the long term impacts of Australian cancer deaths in 2003. Using population mortality data, the labour force participation and the present value of lifetime income (PVLI) forgone due to premature mortality was estimated based on individual characteristics at the time of death including age, sex and socioeconomic status...
2016: PloS One
https://www.readbyqxmd.com/read/27939120/aerobic-exercise-as-a-warm-up-for-singing-acoustic-impacts
#20
Monica A McHenry, Joseph Evans
OBJECTIVES: In a previous work, it was found that a 30-minute aerobic workout significantly increased singers' sound pressure level and airflow during voicing, suggesting a shift to flow phonation. This companion study was designed to assess the impact of the same workout on pitch accuracy, vibrato rate, extent and regularity, and the singing power ratio. STUDY DESIGN: This study is a cohort experimental study. METHODS: Twenty-two students in an academic vocal performance program participated...
December 6, 2016: Journal of Voice: Official Journal of the Voice Foundation
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