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PubMed Journals Articles About "Introduction Phosphorylated Residues Into UNRES Coarse Grained Model" RSS

12:39 EDT 22nd July 2019 | BioPortfolio

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Showing "Introduction Phosphorylated Residues into UNRES Coarse Grained Model" PubMed Articles 1–25 of 22,000+

Two-step actions in infancy-the TWAIN model.

In this paper, we propose a novel model-the TWAIN model-to describe the durations of two-step actions in a reach-to-place task in human infants. Previous research demonstrates that infants and adults plan their actions across multiple steps. They adjust, for instance, the velocity of a reaching action depending on what they intend to do with the object once it is grasped. Despite these findings and irrespective of the larger context in which the action occurs, current models (e.g., Fitts' law) target single...


Using environmental clustering to identify specific drought tolerance QTLs in bread wheat (T. aestivum L.).

Environmental clustering helps to identify QTLs associated with grain yield in different water stress scenarios. These QTLs could be useful for breeders to improve grain yields and increase genetic resilience in marginal environments. Drought is one of the main abiotic stresses limiting winter bread wheat growth and productivity around the world. The acquisition of new high-yielding and stress-tolerant varieties is therefore necessary and requires improved understanding of the physiological and genetic base...

Genome-wide association study of pre-harvest sprouting tolerance using a 90K SNP array in common wheat (Triticum aestivum L.).

Three major loci for pre-harvest sprouting tolerance (PHST) were mapped on chromosomes 1AL, 3BS, and 6BL, and two CAPS and one dCAPS markers were validated. Sixteen lines with favorable alleles and increased PHST were identified. Pre-harvest sprouting (PHS) significantly affects wheat grain yield and quality. In the present study, the PHS tolerance (PHST) of 192 wheat varieties (lines) was evaluated by assessment of field sprouting, seed germination index, and period of dormancy in different environments. A...


Effect of "ribosome engineering" on the transcription level and production of S. albus indigenous secondary metabolites.

Significant resources are invested into efforts to improve the production yields of natural products from Actinobacteria, a well-recognized source of leads for several industries, most notably pharmaceutical one. Introduction of changes into genes for ribosomal protein S12 (rpsL) and/or 16S rRNA methylation (rsmG) is one of traditional approaches (referred to as ribosomal engineering) towards actinobacterial strain improvement. Yet, true potential of ribosome engineering remains unknown as it is currently c...

Unveiling the binding and orientation of the antimicrobial peptide Plantaricin 149 in zwitterionic and negatively charged membranes.

Antimicrobial peptides are a large group of natural compounds which present promising properties for the pharmaceutical and food industries, such as broad-spectrum activity, potential for use as natural preservatives, and reduced propensity for development of bacterial resistance. Plantaricin 149 (Pln149), isolated from Lactobacillus plantarum NRIC 149, is an intrinsically disordered peptide with the ability to inhibit bacteria from the Listeria and Staphylococcus genera, and which is capable of promoting i...

Model-based estimation of lowest observed effect concentration from replicate experiments to identify potential biomarkers of in vitro neurotoxicity.

A paradigm shift is occurring in toxicology following the report of the National Research Council of the USA National Academies entitled "Toxicity testing in the 21st Century: a vision and strategy". This new vision encourages the use of in vitro and in silico models for toxicity testing. In the goal to identify new reliable markers of toxicity, the responsiveness of different genes to various drugs (amiodarone: 0.312-2.5 [Formula: see text]; cyclosporine A: 0.25-2 [Formula: see text]; chlorpromazine: 0.6...

Bone-Bound Bisphosphonates Inhibit Proliferation of Breast Cancer Cells.

Bisphosphonates are used in treating patients with breast cancer. In vitro studies have shown that bisphosphonates act directly on tumour cells, inhibiting cell proliferation and inducing apoptosis. In most such studies, drugs were added to culture media exposing cells to high bisphosphonate concentrations in solution. However, since bisphosphonates bind to bone hydroxyapatite with high affinity and remain bound for very long periods of time, these experimental systems are not an optimal model for the actio...

Fluorometric determination of mercury(II) by using thymine-thymine mismatches as recognition elements, toehold binding, and enzyme-assisted signal amplification.

A highly sensitive fluorometric method is described for the determination of mercury(II) ions. It is based on (a) the use of a DNA probe containing thymine-thymine mismatches that are employed as Hg(II) recognition elements, (b) subsequent toehold binding, and (c) endocuclease-assisted signal amplification. Target recycling is triggered by exonuclease III. This produces a large amount of ssDNA (defined as primer). Then, the generated primer-initiated strand displacement reaction with the help of polymerase ...

Molecular adsorption and dissociation of CO on TiO anatase (001) activated by oxygen vacancies.

A study on the influence of oxygen vacancies on the anatase (001) surface on the CO adsorption process is presented. For its realization, density functional theory (DFT) was used under the Perdew-Burke-Ernzerhof (PBE) generalized gradient and the spin-polarized approximations. Hubbard-U corrections and van der Waals interactions were also included. Three different types of oxygen vacancies were investigated at different sites on the anatase (001) surface; the formation energies in each case were 67.05, 113....

Limiting diffusion coefficients of Formula: see text,Formula: see text-amino acids in water and in sodium chloride aqueous solutions at 298.15 K.

Transport properties of model compounds in aqueous solutions such as amino acids can provide valuable information in order to understand the complex interactions in aqueous solutions as well as the protein stability in water and the relevant factors involved. Informations about the diffusion of amino acids in water and in aqueous solutions of sodium chloride are very scarce, especially for the 5-aminopentanoic acid and 6-aminohexanoic acid. In this study, limiting binary mutual diffusion coefficients at 298...

Defining picky eating and its relationship to feeding behaviors and weight status.

We assessed the individual constructs that comprise "picky eaters" and determined the relationship of each construct to parental perception of their child's weight status, parental pressure-to-eat, and the child's body mass index z-score (BMIz). We developed a questionnaire including 7 commonly used measures of picky eating, which was completed by parents of 2-8 year-olds in pediatric clinics. We performed exploratory factor analysis, confirmatory factor analysis, and model fit. Regression models assessed ...

Impact and Cost-Effectiveness of Integrated Psychology Services in a Pediatric Endocrinology Clinic.

Including psychology services in pediatric endocrinology clinics may improve patients' adherence to diabetes management behaviors, and, subsequently, glycemic control; however, an evaluation of the impact and cost-effectiveness of this integration is needed. The change in HbA1c and cost-effectiveness of integrated psychology services, from the hospital and insurance provider perspectives, were evaluated using a linear effects model and Incremental Cost-Effectiveness Ratios (ICERs). Data from 378 patients w...

Analysis of a Mathematical Model for the Glutamate/Glutamine Cycle in the Brain.

Our aim in this article is to study the well-posedness and properties of a system with delay which is related with brain glutamate and glutamine kinetics. In particular, we prove the existence and uniqueness of nonnegative solutions. We also give numerical simulations and compare their order of magnitude with experimental data.

Antigenic variation of bovine ephemeral fever viruses isolated in Iran, 2012-2013.

Bovine ephemeral fever virus (BEFV) is an economic arthropod-borne virus distributed in Africa, Asia, and Australia. Based on the sequence of the gene encoding the surface glycoprotein G, the viral antigenic determinant, BEFV has been phylogenetically classified into three clusters, including Australia, East Asia, and the Middle East. Here, we provide evidence for antigenic variations among the BEFV isolates in Iran during the period of 2012 to 2013 and also the exotic YHL strain, which are all classified i...

Origins of Beta Amyloid Differ Between Vascular Amyloid Deposition and Parenchymal Amyloid Plaques in the Spinal Cord of a Mouse Model of Alzheimer's Disease.

Cerebral amyloid angiopathy (CAA) refers to pathological changes occurring in cerebral blood vessels caused by deposition of beta amyloid (Aβ) protein. However, the mechanisms involved in the origin of Aβ for the formation of CAA and its link to parenchymal amyloid depositions remained to be unraveled. Here, we found CAA and parenchymal plaques distributed separately instead of mingling with each other in the spinal cord of TgCRND8 mice. Parenchymal plaques predominantly located in the dorsal horn whereas...

20(S)-hydroxycholesterol and simvastatin synergistically enhance osteogenic differentiation of marrow stromal cells and bone regeneration by initiation of Raf/MEK/ERK signaling.

Previous studies have demonstrated the significant roles of simvastatin (SVA) and oxysterols in the osteogenesis process. In this study, we evaluate the effect of a combination of SVA and 20(S)-hydroxycholesterol (20(S)OHC) on the cell viability and osteogenic differentiation of bone marrow stromal cells (BMSCs). After treatment with a control vehicle, SVA (0.025, 0.10, 0.25 or 1.0 μM), 20(S)OHC (5 μM), or a combination of both (0.25 μM SVA + 5 μM 20(S)OHC), the proliferation, apoptosis, ALP...

Validation and educational impact study of the NANEP high-fidelity simulation model for open preperitoneal mesh repair of umbilical hernia.

The aim of the study was to develop, validate and analyze the educational impact of a high-fidelity simulation model for open preperitoneal mesh repair of an umbilical hernia. The number of surgical simulators available for training residents is limited. Primary for ethical reasons and secondary for the emerging pay-per-quality policies, practicing-on simulators rather than patients is considered gold standard. Validated full-procedural surgical models will become more and more important in training residen...

Model-Informed Drug Development Approach Supporting Approval of Adalimumab (HUMIRA) in Adolescent Patients with Hidradenitis Suppurativa: a Regulatory Perspective.

On October 16, 2018, FDA expanded the adalimumab dosing regimen to adolescent hidradenitis suppurativa (HS) patients 12 years and older, weighing at least 30 kg without new clinical data. This approval was mainly supported by the model-informed drug development approach. Population pharmacokinetic simulations suggest body weight-tiered dosing regimens in adolescent patients will achieve similar exposure to adult patients across all weight range. Adalimumab has a well-established, 16-year long-term safety ...

Predicting Outpatient Appointment Demand Using Machine Learning and Traditional Methods.

Traditional methods have long been used for clinical demand forecasting. Machine learning methods represent the next evolution in forecasting, but model choice and optimization remain challenging for achieving optimal results. To determine the best method to predict demand for outpatient appointments comparing machine learning and traditional methods, this retrospective study analyzed "appointment requests" at a major outpatient department in a destination medical center. Two separate locations (A and B) we...

Unbiased groupwise registration for shape prediction of foot scans.

A graph-based groupwise shape registration algorithm for building statistical shape model (SSM) is proposed, which has been successfully applied to shape prediction of foot scans. Establishing unbiased and effective shape correspondences of large-scale data sets is extremely challenging, for the inappropriate selection of initial mean shape and non-rigid registration of shape with large-scale deformation. To address these issues, first, we use a simplified graph to model the shape distribution in metric spa...

Detecting creatine excreted in the urine of swimming athletes by means of Raman spectroscopy.

High-level sport requires analysis of athletes' metabolic conditions in order to improve the training. Raman spectroscopy can be used to assess urinary composition advantageously when compared to conventional methods of urinalysis. In this work, Raman spectroscopy has been employed to detect creatine in urine of professional swimmers before and after training compared to sedentaries. It has been collected urine samples from five swimmers before and immediately after 150 min of swimming and submitted to Ram...

Hepatitis C Treatment Uptake by New Prescribers After the Introduction of Direct Acting Antivirals.

Melatonin Enhances Autophagy and Reduces Apoptosis to Promote Locomotor Recovery in Spinal Cord Injury via the PI3K/AKT/mTOR Signaling Pathway.

Spinal cord injury (SCI) leads to neuronal death resulting in central nervous system (CNS) dysfunction; however, the pathogenesis is still poorly understood. Melatonin (MT), a hormone secreted mainly by the pineal gland, is associated with neuroprotective effects against SCI. Enhanced autophagy can promote the recovery of locomotor function and reduce apoptosis after SCI. Interestingly, MT increases autophagy in SCI in vivo. Nevertheless, the ability of MT to increase autophagy and decrease apoptosis, and t...

Pharmacokinetics and tissue residues of enrofloxacin in the largemouth bass (Micropterus salmoides) after oral administration.

The study was carried out to evaluate the pharmacokinetic disposition of enrofloxacin (ENF) with a single dose of 20 mg/kg after oral administration in largemouth bass (Micropterus salmoides) at 28°C. The concentrations of ENF and of its metabolite ciprofloxacin (CIP) in plasma, liver, and muscle plus skin in natural proportions were determined using HPLC. The concentration-time data for ENF in plasma were best described by a two-compartment open model. After oral administration, the maximum ENF concentra...

The MPK8-TCP14 pathway promotes seed germination in Arabidopsis.

The accurate control of dormancy release and germination is critical for successful plantlet establishment. Investigations in cereals hypothesized a crucial role for specific MAP kinase (MPK) pathways in promoting dormancy release, although the identity of the MPK involved and the downstream events remain unclear. In this work, we characterized mutants for Arabidopsis thaliana MAP Kinase 8 (MPK8). Mpk8 seeds presented a deeper dormancy than WT at harvest that was less efficiently alleviated by after-ripenin...


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