A5082491143- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Graphene and Nanomaterials Applications
- Metal-Organic Frameworks: Synthesis and Applications
- Radioactive element chemistry and processing
- Covalent Organic Framework Applications
- Graphene research and applications
- Protein Structure and Dynamics
- Advanced biosensing and bioanalysis techniques
- Supramolecular Self-Assembly in Materials
- Chemical Synthesis and Characterization
- Alzheimer's disease research and treatments
- Carbon and Quantum Dots Applications
- Nanoparticles: synthesis and applications
- MXene and MAX Phase Materials
- Heat shock proteins research
- Diatoms and Algae Research
- Molecular Sensors and Ion Detection
- Autophagy in Disease and Therapy
- Quantum Dots Synthesis And Properties
- Tea Polyphenols and Effects
- Gold and Silver Nanoparticles Synthesis and Applications
- Polymer Surface Interaction Studies
- Nanopore and Nanochannel Transport Studies
- Biochemical and Structural Characterization
Soochow University
2016-2025
Suzhou Research Institute
2018-2021
Bio-Rad (United States)
2019
Metal-organic frameworks (MOFs) based on zirconium phosphonates exhibit superior chemical stability suitable for applications under harsh conditions. These compounds mostly exist as poorly crystallized precipitates, and precise structural information has therefore remained elusive. Furthermore, a zero-dimensional phosphonate cluster acting secondary building unit been lacking, leading to poor designability in this system. Herein, we overcome these challenges obtain single crystals of three...
Many environmental pollutants inherently exist in their anionic forms and are therefore highly mobile natural water systems. Cationic framework materials that can capture those desirable but scarcely reported. Here we present a mesoporous cationic thorium-based MOF (SCU-8) containing channels with large inner diameter of 2.2 nm possessing high surface area 1360 m2 g-1. The anion-exchange properties SCU-8 were explored many anions including small oxo like ReO4- Cr2O72- as well organic dyes...
99Tc is one of the most problematic fission products in nuclear fuel cycle owing to its large inventory used fuel, long half-life, potential radiation hazard, high environmental mobility major species 99TcO4-, and redox-active nature. Ideally, 99TcO4- should be removed at first stage, when rods are dissolved highly concentrated nitric acid solution, which can substantially reduce interference with solvent extraction process through catalytic redox reactions key actinides diminish chance...
Removal of 99TcO4- from legacy defense nuclear tank waste at Savannah River Site is highly desirable for the purpose safety and environmental protection, but currently not achievable given extreme conditions including high alkalinity, ionic strength, strong radiation field. Herein, we present a potential solution to this long-term issue by developing two-dimensional cationic metal organic framework SCU-103, showing ultrahigh stability in alkaline aqueous media great resistance both β γ...
Titanium dioxide (TiO2) is probably one of the most widely used nanomaterials, and its extensive exposure may result in potentially adverse biological effects. Yet, underlying mechanisms interaction involving TiO2 NPs macromolecules, e.g., proteins, are still not well understood. Here, we perform all-atom molecular dynamics simulations to investigate interactions between twenty standard amino acids aqueous solution exploiting a newly developed force field. We found that charged play dominant...
Abstract Epigallocatechingallate (EGCG) is a major bioactive component of green tea and associated with health benefits against multiple diseases including cancer. As an indicator hepatocellular carcinoma (HCC), high levels α -fetal protein (AFP) are related to malignant differentiation poor prognosis cancer cells. In this study, EGCG can effectively reduce AFP secretion simultaneously induce aggregation in human HCC HepG 2 EGCG-stimulated autophagy induces the degradation aggregates...
A detailed understanding of the interactions between biomolecules and nanomaterial surfaces is critical for development biomedical applications these nanomaterials. Here, we characterized binding patterns dynamics a double stranded DNA (dsDNA) segment on recently synthesized nitrogenized graphene (C2N) with both theoretical (including classical quantum calculations) experimental approaches. Our results show that dsDNA repeatedly exhibits strong preference in its mode C2N substrate,...
Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in community theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for manipulations when doing some modeling tasks. For instance, translation or rotation selected molecule(s) part(s) molecule currently only can be achieved using tcl scripts. Here, we use Tcl/Tk toolkit to develop user-friendly GUI VMD, named Molcontroller, which featured by allowing users quickly...
Radon (Rn), a ubiquitous radioactive noble gas, is the main source of natural radiation to human and one major culprits for lung cancer. Reducing ambient Rn concentration by porous materials considered as most feasible energy-saving option lower this risk, but in-depth removal under conditions remains an unresolved challenge, mainly due weak van der Waals (vdW) interaction between inert adsorbents extremely low partial pressure (<1.8 × 10-14 bar, <106 Bq/m3) in air. Adsorbents having either...
Molecular dynamics simulation and experiments reveal that PEGylated MoS<sub>2</sub> triggers more sustained stimulation to macrophage than pristine MoS<sub>2</sub><italic>via</italic> slower/prolonged membrane penetration stronger adsorption.
Abstract Background Disruption of microbiota balance may result in severe diseases animals and phytotoxicity plants. While substantial concerns have been raised on engineered nanomaterial (ENM) induced hazard effects (e.g. , lung inflammation), exploration the impacts ENMs holds great implications. Results This study found that rare earth oxide nanoparticles (REOs) among 19 showed toxicity Gram-negative (G − ) bacteria, but negligible Gram-positive + bacteria. distinct cytotoxicity was...
Two-dimensional (2D) nanomaterials have been widely used in biomedical applications because of their biocompatibility. Considering the high risk exposure circulatory system to Ti3C2Tx, we studied cytocompatibility Ti3C2Tx MXene with red blood cells (RBCs) and human umbilical vein endothelial (HUVECs) showed that had excellent compatibility two cell lines. at a concentration as 200 μg/mL caused negligible percent hemolysis 0.8%. By contrast, same treatment concentration, graphene oxide (GO)...
PACKMOL is a widely utilized molecular modeling tool within the computational chemistry community. However, its tremendous advantages have been impeded by longstanding lack of robust open-source graphical user interface (GUI) that integrates parameter settings with visualization and geometric constraints. To address this limitation, we developed PACKMOL-GUI, VMD plugin leverages dynamic extensibility Tcl/Tk toolkit. This GUI enables configuration all parameters through an intuitive panel,...
With GQDs changed from non-polarized to highly polarized, the favorable location of in simulation system translocated inner membrane region membrane–water interface.
The adsorption of amyloid-β peptide (Aβ) onto graphene nanosheets with curvature at a neutral pH has been studied by using molecular dynamics simulations in combination umbrella sampling. We found that Aβ adsorbed distinct characteristics, causing the breakage hydrogen bonds which leads to its conformational change. Interestingly, capacity graphene's surface varies significantly depending on curvature, namely, negative higher probability adsorb than one positive curvature. This phenomenon is...
Biotransformation of rare earth oxide (REO) nanoparticles on biological membranes may trigger a series adverse health effects in biosystems. However, the physicochemical mechanism complicated biotransformation behavior remains elusive. By investigating distinctly different two typical REOs (Gd2O3 and CeO2) erythrocyte membranes, we demonstrate that dephosphorylation by stripping phosphate from phospholipids correlates highly with membrane destructive REOs. Density functional theory...
Two-dimensional (2D) nanomaterials have shown promising potential in a wide range of biomedical applications. Nevertheless, the rapid advances this field recently also evoked growing concerns about their toxic effects on humans and environment. Herein, we systematically investigate cytotoxicity C2N nanosheets, newly emerging 2D nitrogenized graphene with uniform holes basal plane. Our vitro experiments show that is to human umbilical vein/vascular endothelium cells. The further combined...
A better understanding of interactions between metal–nanomaterial surfaces and biomolecules such as DNAs is critical for their biomedical applications.
Cyclotides are disulfide-rich cyclic peptides isolated from plants, which extremely stable against thermal and proteolytic degradation, with a variety of biological activities including antibacterial, hemolytic, anti-HIV, anti-tumor. Most these bioactivities related to their preference for binding certain types phospholipids subsequently disrupt lipid membranes. In the present study, we use cyclotide, cycloviolacin O2 (cyO2), as model system investigate its interactions three bilayers...
Radon (Rn) and its decay products are the primary sources of natural ionizing radiation exposure for public, posing significant health risks, including being a leading cause lung cancer. Porous material-based adsorbents offer feasible efficient solution controlling Rn concentrations in various scenes to achieve safe levels. However, due competitive adsorption between water, finding candidates with higher affinity capacity capturing humid air remains challenge. Here, we conducted...
Docosahexaenoic acid (DHA) is one of the omega-3 polyunsaturated fatty acids, which has shown promising applications in lowering Aβ peptide neurotoxicity vitro by preventing aggregation peptides and relieving accumulation fibrils. Unfortunately, underlying molecular mechanisms how DHA interferes with remain largely enigmatic. Herein, behaviors amyloid-β(Aβ)16-21 (KLVFFA) or without presence a molecule were comparatively studied using extensive all-atom dynamics simulations. We found that...
Membrane filtration processes for water desalination have been greatly improved thanks to rapid development of nanoporous 2-dimentional (2D) materials. Nanoporous graphene and molybdenum disulfide proved show promising properties desalination. In this study, we detailly investigated the performance a different 2D material, boron nitride (BN), by Molecular Dynamics simulation. Our calculations demonstrated that BN allows permeability with effective salt rejection. The is not only two orders...
Studies have found strong correlations between polymorphism and structural variations in amyloid-β (Aβ) fibrils the diverse clinical subtypes of Alzheimer’s disease (AD). Thus, a detailed understanding conformational behavior Aβ may be an aid to elucidate pathological mechanisms involved AD. However, key point that has been inadvertently underestimated or dismissed is role protonated state at C-terminal residue peptides, which can give rise intrinsic differences morphology stability fibrils....