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Results 351 - 400 of 2137
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Matti Afnan A - - 2013
Microwave accelerated reaction system (MARS) technology provided a good method to obtain selective and open isoxazole ligands that bind to and inhibit the [Formula: see text] antiporter. The MARS provided numerous advantages, including: shorter time, better yield and higher purity of the product. Of the newly synthesized series of isoxazoles ...
Tu Chengjian - - 2013
Smith-Lemli-Opitz syndrome (SLOS) is one of the most common recessive human disorders and is characterized by multiple congenital malformations as well as neurosensory and cognitive abnormalities. A rat model of SLOS has been developed, which exhibits progressive retinal degeneration and visual dysfunction; however, the molecular events underlying the degeneration and ...
Simonson Thomas - - 2013
We describe an automated procedure for protein design, implemented in a flexible software package, called Proteus. System setup and calculation of an energy matrix are done with the XPLOR modeling program and its sophisticated command language, supporting several force fields and solvent models. A second program provides algorithms to search ...
Ben-David Avishai - - 2013
We extend the probability model for 3-layer radiative transfer [Opt. Express 20, 10004 (2012)] to ideal gas conditions where a correlation exists between transmission and temperature of each of the 3 layers. The effect on the probability density function for the at-sensor radiances is surprisingly small, and thus the added ...
de Souza Renato Aparecido - - 2013
The aim of the present study was to evaluate the feasibility of applying Raman spectroscopy in probing the molecular changes in terms of collagen deposition and tissue remodeling associated with two well-established experimental models of osteoarthritis (OA) in knee of rats. In order to evaluate alterations in the articular surface ...
Hartmann Philipp - - 2013
Microalgae are often seen as a potential biofuel producer. In order to predict achievable productivities in the so called raceway culturing system, the dynamics of photosynthesis has to be taken into account. In particular, the dynamical effect of inhibition by an excess of light (photoinhibition) must be represented. We propose ...
Halder Amit Kumar - - 2013
Matrix metalloproteinase-2 (MMP-2) is a potential target in metastases. Regression (conventional 2D QSAR) and classification (recursive partitioning (RP), Bayesian modelling) QSAR, pharmacophore mapping and 3D QSAR (comparative molecular field analysis and comparative molecular similarity analysis) were performed on 202 MMP-2 inhibitors. Quality of the regression models was justified by internal ...
Fernández David - - 2013
We report the results of a comparative molecular field analysis and comparative molecular similarity index analysis of the human farnesyl pyrophosphate synthase (FPPS) inhibition by nitrogen bisphosphonates (NBPs) taking into account their time-dependent inhibition efficacies. The 3D-QSAR models obtained provide steric, electrostatic and hydrophobic contour maps consistent with the interactions ...
Ionescu Crina-Maria - - 2013
We focused on the parameterization and evaluation of empirical models for fast and accurate calculation of conformationally dependent atomic charges in proteins. The models were based on the Electronegativity Equalization Method (EEM), and the parameterization procedure was tailored to proteins. We used large protein fragments as reference structures, and fitted ...
Manhart Michael - - 2013
We develop a path-based approach to continuous-time random walks on networks with arbitrarily weighted edges. We describe an efficient numerical algorithm for calculating statistical properties of the stochastic path ensemble. After demonstrating our approach on two reaction rate problems, we present a biophysical model that describes how proteins evolve new ...
Tabor Zbisław - - 2013
The effective diffusivity in a polymer matrix modified with inclusions is usually calculated based on Kalnin-Kotomin's model [J. R. Kalnin, E. A. Kotomin, and J. Maier, J. Phys. Chem. Solids 63, 449-456 (2002)], which extends the well known Maxwell-Garnett formula. Kalnin-Kotomin's model correctly predicts effective diffusivity for stationary diffusion or ...
Graham Jim - - 2013
Habitat suitability maps are commonly created by modeling a species' environmental niche from occurrences and environmental characteristics. Here, we introduce the hyper-envelope modeling interface (HEMI), providing a new method for creating habitat suitability models using Bezier surfaces to model a species niche in environmental space. HEMI allows modeled surfaces to ...
Duodu J - - 2013
Background: The surgical trainee has to acquire surgical skills in an era of reduced training hours and greater demands for efficient use of operating theatre time. Many surgical specialties are utilising model and simulation-based training to provide safe, low-pressure training opportunities for today's trainee. Method and results: This paper describes ...
Xu Feng - - 2013
Near infrared (NIR) spectroscopy provides rapid determination method for biomass characterization. The objective of this study is to use NIR to model and predict contents of monosaccharides in biomass hydrolysates. A uniform distribution of pretreatment conditions was used to generate representative samples that cover wide ranges of sugar concentration for ...
Smith J David - - 2013
A growing literature considers whether animals have capacities that are akin to human metacognition (i.e., humans' capacity to monitor their states of uncertainty and knowing). Comparative psychologists have approached this question by testing a dolphin, pigeons, rats, monkeys, and apes using perception, memory, and food-concealment paradigms. As part of this ...
Fielding Louis C - - 2013
Development of a dynamic stabilization system often involves costly and time-consuming design iterations, testing and computational modeling. The aims of this study were (1) develop a simple parametric model of lumbar flexion instability and use this model to identify the appropriate stiffness of a flexion restricting stabilization system (FRSS), and ...
Lin Zhoumeng - - 2013
Atrazine (ATR) is a widely used chlorotriazine herbicide, a ubiquitous environmental contaminant, and a potential developmental toxicant. To quantitatively evaluate placental/lactational transfer and fetal/neonatal tissue dosimetry of ATR and its major metabolites, physiologically based pharmacokinetic models were developed for rat dams, fetuses and neonates. These models were calibrated using pharmacokinetic ...
Maier Robert - - 2013
The lack of reliable, comprehensive gold standards complicates the development of many bioinformatic tools, particularly for the analysis of expression data and biological networks. Simulation approaches can provide provisional gold standards, such as regulatory networks, for the assessment of network inference methods. However, this just defers the problem as it ...
Burcharth J - - 2013
Background: Incisional hernia (IH) is a well-known complication after abdominal surgical procedures. The exact etiology of IH is still unknown even though many risk factors have been suggested. The aim of this study was to create an animal model of a weakly healed abdominal fascia that could be used to ...
Stefanov I - - 2013
Chemometrical models for determination of milk fatty acids (FA) are typically developed using spectral data from a single spectroscopy technique, e.g., mid-infrared spectroscopy in milk control. Such models perform poorly in determining minor components and are highly dependent on the spectral data source and on the type of matrix. In ...
Jaspers Stijn - - 2013
Antimicrobial resistance has become one of the main public health burdens of the last decades, and monitoring the development and spread of non-wild-type isolates has therefore gained increased interest. Monitoring is performed based on the minimum inhibitory concentration (MIC) values, which are collected through the application of dilution experiments. In ...
Lorber Matthew - - 2013
In a published controlled dosing experiment, a single individual consumed 5mg each of labeled di-n-butyl phthalate (DnBP) and diisobutyl phthalate (DiBP) on separate occasions and tracked metabolites in his blood and urine over 48h. Data from this study were used to structure and calibrate simple pharmacokinetic (PK) models for these ...
Boese A Daniel - - 2013
A hybrid MP2:DFT + D optimization method is applied using a 3 × 3 × 2 cluster model (Mg9O9) embedded in a 4 × 4 × 4 slab model. The calculated CO-Mg(2+) distance is 248 pm, and the calculated CO frequency (blue) shift is 20 cm(-1), 6 cm(-1) larger than ...
Freitas Mirlaine R - - 2013
Two of major weeds affecting cereal crops worldwide are Avena fatua L. (wild oat) and Lolium rigidum Gaud. (rigid ryegrass). Thus, development of new herbicides against these weeds is required; in line with this, benzoxazinones, their degradation products and analogues have shown to be important allelochemicals and natural herbicides. Despite ...
Alves Julio Cesar L - - 2013
The use of near infrared (NIR) spectroscopy combined with chemometric methods have been widely used in petroleum and petrochemical industry and provides suitable methods for process control and quality control. The algorithm support vector machines (SVM) has demonstrated to be a powerful chemometric tool for development of classification models due ...
Raˇdulescu Anca - - 2013
Hebbian synapses respond to input-output correlations, and thus to input statistical structure. However, recent evidence suggests that strength adjustments are not completely connection-specific, and this "crosstalk" could distort, or even prevent, learning processes. Crosstalk would then be a form of adjustment mistake, analogous to mistakes in polynucleotide copying. The mutation ...
He Zhanfei - - 2013
Nitrite-dependent anaerobic methane oxidation (n-damo) is a recently discovered process that is intermediated by n-damo bacteria that oxidize methane with nitrite to generate nitrogen gas. In this work, a kinetic model based on Monod type kinetics and diffusion-reaction model was developed to describe the bioprocess. Some key kinetic parameters needed ...
Katre Ankita - - 2013
The development of simplified models for the simulation of thermodynamic and thermal transport properties in random alloys is of great importance. In this paper we show how a simple second nearest neighbour model can reliably capture the lattice dynamics of SixGe1-x alloys. The model parameters are extracted from DFT-calculated force ...
Hu Laixing - - 2013
Dicationic 2,6-diphenylpyrazines, aza-analogues and prodrugs were synthesized; evaluated for DNA affinity, activity against Trypanosoma brucei rhodesiense (T. b. r.) and Plasmodium falciparum (P. f.) in vitro, efficacy in T. b. r. STIB900 acute and T. b. brucei GVR35 CNS mouse models. Most diamidines gave poly(dA-dT)2 ΔTm values greater than pentamidine, ...
Danyluk Michelle D - - 2014
A recent outbreak linked to whole cantaloupes underscores the importance of understanding growth kinetics of Listeria monocytogenes in cut melons at different temperatures. Whole cantaloupe, watermelon, and honeydew purchased from a local supermarket were cut into 10 ± 1 g cubes. A four-strain cocktail of L. monocytogenes from food related outbreaks was used to ...
Valentin Jan B - - 2013
We propose a method to formulate probabilistic models of protein structure in atomic detail, for a given amino acid sequence, based on Bayesian principles, while retaining a close link to physics. We start from two previously developed probabilistic models of protein structure on a local length scale, which concern the ...
Yang Ming - - 2013
Abstract Purpose: To identify self-reported disability measures developed for older adults by performing a systematic literature review and to compare the contents of all identified measures based on the International Classification of Functioning, Disability and Health (ICF). Method: A broad systematic literature search was performed in March 2012 in the ...
Liu Yupeng - - 2013
Climate changes may have immediate implications for forest productivity and may produce dramatic shifts in tree species distributions in the future. Quantifying these implications is significant for both scientists and managers. Cunninghamia lanceolata is an important coniferous timber species due to its fast growth and wide distribution in China. This ...
Kondjoyan Alain - - 2013
Heating of beef muscles modifies the water content, the micronutrient content and the colour of beef meat. Juice expelling and loss of water soluble micronutrients were predicted by combined transfer-kinetics models. Kinetics modeling and crust formation are needed to progress toward a reliable prediction of HAAs formation. HAAs formation in ...
Flynn Cormac - - 2013
Computer models of the human face have the potential to be used as powerful tools in surgery simulation and animation development applications. While existing models accurately represent various anatomical features of the face, the representation of the skin and soft tissues is very simplified. A computer model of the face ...
Hultin Magnus - - 2013
Chylomicrons labeled in vivo with 14C-oleic acid (primarily in triglycerides, providing a tracer for lipolysis) and 3H-retinol (primarily in ester form, providing a tracer for the core lipids) were injected into rats. Radioactivity in tissues was followed at a series of times up to 40 min and the data were ...
Ashrafi Farzaneh F Water and Electrolytes Research Center, Department of Physiology, Isfahan University of Medical Sciences, Isfahan, IR Iran ; Department of Internal Medicine, Isfahan University of Medical Sciences, Isfahan, IR - - 2013
Nephrotoxicity is characterized and scored by many parameters such as vacuolization, dilatation, hyaline cast, debris or degeneration in injured renal tissue. In this short report, we attempt to find, the most correlated parameters with kidney tissue pathology damage score (PDS) in Cisplatin-induced nephrotoxicity. A total of 207 normal and toxic ...
Xin Chang-Peng - - 2013
Chlorophyll a fluorescence induction (FI) kinetics, in the microseconds to the second range, reflects the overall performance of the photosynthetic apparatus. In this paper, we have developed a novel FI model, using a rule-based kinetic Monte Carlo method, which incorporates not only structural and kinetic information on PSII, but also ...
Kim David E - - 2013
A number of methods have been described for identifying pairs of contacting residues in protein three-dimensional structures, but it is unclear how many contacts are required to accurately model the structures. The CASP10 assisted contact experiment provided a blind test of contact guided protein structure modeling. We describe the models ...
Wahl Patrick R - - 2013
Implementation of continuous manufacturing in the pharmaceutical industry requires tight process control. This study focuses on a PAT strategy for hot melt extrusion of vegetable calcium stearate (CaSt) as matrix carrier and paracetamol as active pharmaceutical ingredient (API). The extrusion was monitored using in-line near-infrared (NIR) spectroscopy. A NIR probe ...
Zhang Quan - - 2013
The existence of enantiomer-enriched mixtures of chiral pesticides in the environment is overwhelmingly positive. However, interactions between enantiomers have not been considered so far in risk assessments. Here, we chose three organophosphorus pesticides as representative chiral pesticides to investigate the possible interaction mode between each pair of enantiomers both in ...
Sarpietro Maria Grazia - - 2013
The interactions of the two resveratrol analogues 2-hydroxy-3,5,3',5'-tetramethoxystilbene (4) and 2-hydroxy-3,5,3',4'-tetramethoxystilbene (5) with model biomembranes were studied. The aim of this investigation was to highlight possible differences in the interactions with such biomembranes related to the minimal structural differences between these isomeric stilbenoids. In particular, different experiments on stilbenoid/biomembrane model ...
Helliker Brent R - - 2013
Using both oxygen isotope ratios of leaf water (δ(18) OL ) and cellulose (δ(18) OC ) of T. usneoides in situ, this paper examined how short- and long-term responses to environmental variation and model parameterization affected the reconstruction of the atmospheric water vapor (δ(18) Oa ). During sample-intensive field campaigns, ...
Kang Jia - - 2013
MicroRNAs (miRNAs) are small endogenous ssRNAs that regulate target gene expression post-transcriptionally through the RNAi pathway. A critical pre-processing procedure for detecting differentially expressed miRNAs is normalization, aiming at removing the between-array systematic bias. Most normalization methods adopted for miRNA data are the same methods used to normalize mRNA data; ...
Molina-Delgado Mauricio - - 2013
This article introduces a simulation model of rat behavior in the elevated plus-maze, designed through a Decision Trees approach using Classification and Regression algorithms. Starting from the analysis of the behavior performed by a sample of 18 Sprague-Dawley male rats, probabilistic rules describing behavioral patterns of the animals were extracted, ...
Gilabert-Juan Javier - - 2013
Both alterations in neurodevelopment and aversive experiences during childhood and adolescence seem important risk factors for schizophrenia. Animal models reproducing these alterations mimic some of the symptoms, constituting a valid approach to study the etiopathology of this disorder. Among these models, the perinatal injection of N-methyl-d-aspartate receptor antagonists and the ...
Goldstein Richard A - - 2013
The predicted effect of effective population size on the distribution of fitness effects and substitution rate is critically dependent on the relationship between sequence and fitness. This highlights the importance of using models that are informed by the molecular biology, biochemistry, and biophysics of the evolving systems. We describe a ...
Sarti F M - - 2013
Chianina is the tallest and heaviest beef cattle breed in the world and one of the most appreciated breeds on the Italian meat market. A selection program focused on improving Chianina carcass quality could provide a further economic advantage to Chianina breeders. However, the current European carcass scoring system (i.e., ...
van Zelm Rosalie - - 2013
To enhance the use of quantitative uncertainty assessments in life cycle impact assessment practice, we suggest to quantify the trade-off between parameter uncertainty, i.e. any uncertainty associated with data and methods used to quantify the model parameters, and model structure uncertainty, i.e. the uncertainty about the relations and mechanisms being ...
Li Hongying - - 2013
Our group has shown that the polysaccharides extracted from Lycium barbarum (LBP) are neuroprotective for retinal ganglion cells (RGCs) in different animal models. Protecting RGCs from secondary degeneration is a promising direction for therapy in glaucoma management. The complete optic nerve transection (CONT) model can be used to study primary ...
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