A5084433934- Protein Structure and Dynamics
- Child Nutrition and Feeding Issues
- RNA and protein synthesis mechanisms
- Nuclear Structure and Function
- Autism Spectrum Disorder Research
- Nutrition, Health and Food Behavior
- Mosquito-borne diseases and control
- Molecular Junctions and Nanostructures
- HIV Research and Treatment
- Computational Drug Discovery Methods
- Open Education and E-Learning
- Machine Learning in Bioinformatics
- Supramolecular Self-Assembly in Materials
- Infant Health and Development
- Child Nutrition and Water Access
- Food Industry and Aquatic Biology
- Viral Infections and Outbreaks Research
- Trace Elements in Health
- Viral Infections and Vectors
- Food composition and properties
- DNA and Nucleic Acid Chemistry
- Nutritional Studies and Diet
- Consumer Attitudes and Food Labeling
- Vector-Borne Animal Diseases
- RNA Research and Splicing
George Mason University
2017-2025
PepsiCo (United Kingdom)
2018
Pepsi (United States)
2018
Online Learning Management Systems (LMSs), such as Blackboard and Canvas, have existed for decades. Yet, course readings, when provided at all, consistently exist simple digital twins to their real-life counterparts. While online tools resources help students process texts more efficiently or in ways better suited learning styles, knowledge about is not evenly distributed creates a gulf advantage between students. This paper proposes the courseware integration of "smart" textbooks, newfound...
Background: Individuals diagnosed with autism spectrum disorder (ASD) commonly experience sensory processing that differs from general-population norms, and the autistic lived of eating includes preferences for routine, difficulty related to scents, tastes, temperatures, textures food. Meanwhile, research indicates nutrients involved in one-carbon metabolism (OCM) may be processing. Methods: This study enrolled 33 school-aged children assess whether OCM nutrient intake is associated Parents...
We have developed and tested an absolute free energy perturbation (FEP) protocol, which combines all-atom molecular dynamics, replica exchange with solute tempering (REST) enhanced sampling, a spherical harmonic restraint applied to ligand. Our objective was compute the binding together underlying mechanism for ligand, binds diffusively protein. Such ligands represent nearly impossible targets traditional FEP simulations. To test our FEP/REST we selected conserved motif peptide KKPK termed...
Venezuelan equine encephalitis virus (VEEV) is a highly virulent pathogen whose nuclear localization signal (NLS) sequence from capsid protein binds to the host importin-α transport and blocks import. We studied molecular mechanisms by which two small ligands, termed I1 I2, interfere with binding of VEEV's NLS peptide protein. To this end, we performed all-atom replica exchange dynamics simulations probing competitive VEEV coreNLS or I2 ligand major site. As reference, used our previous...
Free energy perturbation coupled with replica exchange solute tempering (FEP/REST) offers a rigorous approach to compute relative free changes for ligands. To determine the applicability of FEP/REST ligands distributed binding poses, we considered two alchemical transformations involving three putative inhibitors I0, I1, and I2 Venezuelan equine encephalitis virus nuclear localization signal sequence importin-α (impα) transporter protein. I0 → I1 transformations, respectively, increase or...
Although Venezuelan equine encephalitis virus (VEEV) is a life-threatening pathogen with capacity for epidemic outbreaks, there are no FDA-approved VEEV antivirals humans. cytotoxicity partially attributed to the formation of tetrameric complex between capsid protein, nuclear import proteins importin-α and importin-β, export protein CRM1, which together block trafficking through pore complex. Experimental studies have identified small molecules from CL6662 scaffold as potential inhibitors...
Food is the primary human source of choline, an essential precursor to neurotransmitter acetylcholine, which has a central role in signaling pathways that govern sensorimotor functions. Most Americans do not consume their recommended amount dietary and populations with neurodevelopmental conditions like autism spectrum disorder (ASD) may be particularly vulnerable consequences choline deficiency. This study aimed identify relationship between ASD cholinergic through gene set enrichment...
Several small molecule inhibitors have been designed to block binding of the Venezuelan equine encephalitis virus (VEEV) nuclear localization signal (NLS) sequence importin-α transport protein. To probe inhibition mechanism on a molecular level, we used all-atom explicit water replica exchange dynamics study two inhibitors, I1 and I2, coreNLS peptide, representing core fragment VEEV NLS sequence. Our objective was evaluate possibility masking wherein these occurs prior its importin-α. We...
To assess the overall nutritional quality of meals chosen by undergraduate students during weekday lunches at campus all-you-care-to-eat dining halls. A previously validated exit survey was used to collect self-reported data from on foods and beverages they consumed a single visit two halls George Mason University Fairfax campus, 4 weeks. (n = 468) Nutritional each meal evaluated 7-point rubric, according 'Wellness Meal' standards Partnership for Healthier America: ≤700 kilocalories, ≤10%...
The impact of Lys28 acetylation on Alzheimer's Aβ peptide binding to the lipid bilayer has not been previously studied, either experimentally or computationally. To probe this common post-translational modification, we performed all-atom replica exchange molecular dynamics simulations targeting and aggregation acetylated acAβ25–35 within DMPC bilayer. Using unmodified Aβ25–35 studied as a reference, our results can be summarized follows. First, strengthens hydrophobic moment consequently...
Background Consumption of oats has been shown to reduce cardiovascular disease risk. Milk consumption is also associated with certain health benefits and these may include reduction risk for disease. Objective To evaluate the association oat consumption, or without concurrent milk on same day, factors. Methods National Health Nutrition Examination Survey Data (1999–2014) was used. Oat identified from 24‐hour recall data intakes were classified as (1) no oat, milk, (2) yes (3) (4) milk....
Background Oat consumption has been suggested to decrease the risk of cardiovascular disease; oats are frequently co-consumed with milk, but also water and other products. Methods We evaluated associations 24-hour self-reported oat cow’s milk disease factors using National Health Nutrition Examination Survey (1999–2014) data. Daily consumptions were classified as (1) no oats, milk; (2) yes (3) or (4) milk. used oats/no a reference assess effects on markers (CVD). The group was then further...
Sensory processing differences are frequently experienced by both children and adults diagnosed with autism spectrum disorder (ASD) can greatly influence quality of life. Evidence exists to suggest a potential relationship one carbon metabolism (OCM) nutrients core diagnostic aspects autism, but little is known about OCM in relation sensory symptoms autism. This study sought observe associations between nutrient intake assessment scores school-age ASD. Families child aged 6–10 ASD were...