A5011380708- Lipid Membrane Structure and Behavior
- Carbon Nanotubes in Composites
- Polymer Nanocomposites and Properties
- Surfactants and Colloidal Systems
- Fullerene Chemistry and Applications
- Protein Structure and Dynamics
- Spectroscopy and Quantum Chemical Studies
- Leptospirosis research and findings
- Nanopore and Nanochannel Transport Studies
- Supramolecular Self-Assembly in Materials
- Antioxidant Activity and Oxidative Stress
- Theoretical and Computational Physics
- Polymer crystallization and properties
- Tribology and Wear Analysis
- Advanced Thermodynamics and Statistical Mechanics
- Photoreceptor and optogenetics research
- Advanced Chemical Physics Studies
- Stochastic processes and statistical mechanics
- Drug Solubulity and Delivery Systems
- Rheology and Fluid Dynamics Studies
- Polymer Foaming and Composites
- Nitric Oxide and Endothelin Effects
- Graphene research and applications
- Advanced Sensor and Energy Harvesting Materials
- Healthcare and Venom Research
Kasetsart University
2016-2025
Thailand Center of Excellence in Physics
2017-2024
Western University
2009-2011
University of Calgary
2007-2008
Mahidol University
2004-2007
The influence of different oxidized lipids on lipid bilayers was investigated with 16 individual 1 μs atomistic molecular dynamics (MD) simulations. Binary mixtures 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine (PLPC) and its peroxide aldehyde products were performed at concentrations. In addition, an asymmetrical short chain lipid, 1-palmitoyl-2-decanoyl-sn-glycero-3-phosphatidylcholine (PDPC), used to compare the effects polar/apolar groups in tail bilayer. Although water...
Beta cyclodextrin (βCD) is well-known as a potent drug carrier improving solubility, stability, and bioavailability. The water layer adjacent to the membrane surface lipophilic domain itself are controlling barrier for transport. However, molecular details of interaction between βCD lipid has not yet been clearly explained. Here, dynamics simulations were performed visualize process molecule with bilayer six microseconds in total. Our results show that passively diffuses into by pointing its...
Molecular dynamics (MD) simulation has become a common technique to study biological systems. Transport of small molecules through carbon nanotubes and membrane proteins been an intensely studied topic, MD simulations have able provide valuable predictions, many which later experimentally proven. Simulations such systems pose challenges, unexpected problems in commonly used protocols methods found the past few years. The two main reasons why some were not before are that most these newly...
Carbon nanoparticles (CNP) have significant impact on the Pulmonary Surfactant (PS), first biological barrier in respiratory system.
Establishing the fundamental relationships between peptide sequences and fibril formation is critical both for understanding protein misfolding processes guiding biomaterial design. Here, we combine all-atom molecular dynamics (MD) simulations with artificial intelligence (AI) to investigate how subtle variations in arrangement of a short sequence affect its propensity form fibrils. Our results show that small shifts distribution hydrophobic residues charge clusters can significantly...
Abstract Palm oil is a type of vegetable that can be obtained from shell and seed palm fruits. Unpurified called crude (CPO) unpurified kernel (CPKO). Surprisingly, there limited literature on both CPO CPKO in rubber compounds. Therefore, this study aimed to investigate the effects these two types properties compounds, exploring their potential as alternative oils replace petroleum-based formulations. The compound formulations with were developed then compared properties, including Mooney...
Abstract In this study, we examine the surface anchoring behaviour of 4-Pentyl-4′-Cyanobiphenyl (5CB) liquid crystals on trans - and cis -azo interfaces using united-atom molecular dynamics simulations. Our findings suggest homeotropic at random planar surface. This study provides a better understanding how affect orientation LC molecules.
Membrane lipid oxidation is a universal process that occurs in situations of oxidative stress and encountered numerous physiological pathological situations. Oxidized truncated phospholipids make up large part the products alter membrane properties way can lead to cell death. However, underlying mechanisms are not well understood nor it clear whether environmental factors, such as pH, modulate these effects. Using model membranes, we investigate how individual aldehydes carboxylic acids with...
Polyunsaturated lipids are major targets of free radicals forming oxidized through the lipid peroxidation process. Thus, play a significant role in cell membrane damage. Using atomistic molecular dynamics (MD) simulations to investigate bilayers, we examined effects NaCl on them. Lipid bilayer systems 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine (PLPC) and 4 oxidation products, namely, 9-tc-hydroperoxide linoleic acid, 13-tc-hydroperoxide 9-oxononanoic 12-oxo-9-didecadienoic acid...
Understanding the atomic level interactions and resulting structural characteristics is required for developing beta-cyclodextrin (βCD) derivatives pharmaceutical other applications.
Concentrated natural latex was used to produce a rubber foam that is porous, elastic and well ventilated. The mechanical properties can be either soft or firm, depending on the formulation of used. Briefly, concentrated mixed with chemical agents make laboratory scale using Dunlop process. In this work, we changed concentration blowing agent in latex. morphological were characterised scanning electron microscopy, properties, elasticity, studied compression experiments Mooney–Rivlin...
Intrinsically disordered proteins (IDPs) are abundant in cells and have central roles protein-protein interaction networks. Interactions between the IDP Prothymosin alpha (ProTα) Neh2 domain of Nuclear factor erythroid 2-related 2 (Nrf2), with a common binding partner, Kelch-like ECH-associated protein 1(Keap1), essential for regulating cellular response to oxidative stress. Misregulation this pathway can lead neurodegenerative diseases, premature aging cancer. In order understand mechanisms...
In biological membranes, alpha-tocopherols (α-toc; vitamin E) protect polyunsaturated lipids from free radicals. Although the interactions of α-toc with non-oxidized lipid bilayers have been studied, their effects on oxidized remain unknown. this study, atomistic molecular dynamics (MD) simulations were performed varying concentrations α-toc. Bilayers 1-palmitoyl-2-lauroyl-sn-glycero-3-phosphocholine (PLPC) and aldehyde derivatives at a 1 : ratio studied. Our show that self-assemble into...
Breast cancer is the most common type of malignancies in women worldwide, and genotoxic chemotherapeutic drugs are effective by causing DNA damage cells. However, >90% patients with metastatic resistant to chemotherapy. The Forkhead box M1 (FOXM1) transcription factor plays a pivotal role resistance breast cells chemotherapy promoting repair following drug treatment. aim present study was investigate inhibition FOXM1 protein thiostrepton, natural antibiotic produced Streptomyces species....
α-Tocopherols (α-toc) are crucial in protecting biological membranes against oxidation by free radicals. We investigate the behavior of α-toc molecules lipid bilayers containing oxidized lipids molecular dynamics (MD) simulations. To verify approach, location and orientation first shown to be agreement with previous experimental results. The simulations further show that stay inside bilayer their hydroxyl groups contact surface. Interestingly, interbilayer flip-flop was observed both...
Translocation of peptides through cellular membranes is a fundamental problem in developing antimicrobial and drug delivery. There class peptides, known as cell-penetrating that are able to penetrate without disrupting them. They can carry pharmacological compounds, thus promising strategy for The physical mechanisms facilitate translocation not known. We have used large-scale molecular dynamics simulations study the penetration transportan across zwitterionic...
Abstract Natural rubber (NR) foam can be prepared by the Dunlop method using concentrated natural latex with chemical agents. Most previous studies have focused on thermodynamic parameters of solid in extension. The main objective this study is to investigate effect NR matrix concentration static and dynamic properties foams, especially new approach considering aspects compression. We found that density compression strength foams increased increasing concentration. mechanical were agreement...