A5047048362- Computational Drug Discovery Methods
- Nanoparticles: synthesis and applications
- Fluid Dynamics and Turbulent Flows
- Nanoparticle-Based Drug Delivery
- Nanotechnology research and applications
- Machine Learning in Materials Science
- Blockchain Technology Applications and Security
- Modular Robots and Swarm Intelligence
- Membrane Separation Technologies
- Human Mobility and Location-Based Analysis
- Machine Learning in Healthcare
- Electrochemical Analysis and Applications
- Water Quality Monitoring and Analysis
- Fault Detection and Control Systems
- Transportation Planning and Optimization
- Traffic Prediction and Management Techniques
- Topic Modeling
- Environmental Toxicology and Ecotoxicology
- Peer-to-Peer Network Technologies
- Computational Fluid Dynamics and Aerodynamics
- History and advancements in chemistry
- Chemistry and Chemical Engineering
- Metabolomics and Mass Spectrometry Studies
- Effects and risks of endocrine disrupting chemicals
- Animal testing and alternatives
Pacific Northwest National Laboratory
2017-2024
Battelle
2022-2023
Potsdam Institute for Climate Impact Research
2019-2020
Richland College
2018
Universitat Rovira i Virgili
2008-2017
Observatori de l'Ebre
2016
California NanoSystems Institute
2011-2013
University of California, Los Angeles
2011-2013
California State University Los Angeles
2011
Ação Educativa
2006
We demonstrate for 24 metal oxide (MOx) nanoparticles that it is possible to use conduction band energy levels delineate their toxicological potential at cellular and whole animal levels. Among the materials, overlap of (Ec) with redox (−4.12 −4.84 eV) was strongly correlated ability Co3O4, Cr2O3, Ni2O3, Mn2O3, CoO induce oxygen radicals, oxidative stress, inflammation. This outcome premised on permissible electron transfers from biological couples maintain equilibrium semiconductor...
Because of concerns about the safety a growing number engineered nanomaterials (ENM), it is necessary to develop high-throughput screening and in silico data transformation tools that can speed up vitro hazard ranking. Here, we report use multiparametric, automated assay incorporates sublethal lethal cellular injury responses perform analysis batch commercial metal/metal oxide nanoparticles (NP) with inclusion quantum dot (QD1). The chosen for tracking through epifluorescence microscopy...
Abstract A classification‐based cytotoxicity nanostructure–activity relationship (nanoSAR) is presented based on a set of nine metal oxide nanoparticles to which transformed bronchial epithelial cells (BEAS‐2B) were exposed over range concentrations (0.375–200 mg L −1 ) and exposure times up 24 h. The nanoSAR developed using data from high‐throughput screening assay that was processed identify label toxic (in terms the propidium iodide uptake BEAS‐2B cells) versus nontoxic events relative an...
A constant-number direct simulation Monte Carlo (DSMC) model was developed for the analysis of nanoparticle (NP) agglomeration in aqueous suspensions. The modeling approach, based on "particles a box" method, considered both particle and gravitational settling. Particle–particle probability determined classical Derjaguin–Landau–Verwey–Overbeek (DLVO) theory considerations collision frequency as impacted by Brownian motion. Model predictions were reasonable agreement with respect to size...
Nanomaterial structure–activity relationships (nano-SARs) for metal oxide nanoparticles (NPs) toxicity were investigated using metrics based on dose–response analysis and consensus self-organizing map clustering. The NP cellular dataset included profiles consisting of seven different assays human bronchial epithelial (BEAS-2B) murine myeloid (RAW 264.7) cells, over a concentration range 0.39–100 mg L−1 exposure time up to 24 h, twenty-four NPs. Various nano-SAR building models evaluated, an...
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Most in vitro toxicity studies on engineered nanomaterials (ENMs) use transformed rather than primary cells for logistical reasons. However, may provide a more appropriate connection to vivo because these maintain their phenotypic fidelity and are also capable of differentiating into lineages that be differently affected by potentially hazardous ENMs. Few date have focused the role cellular differentiation determining ENM toxicity. We compared response undifferentiated differentiated human...
The response of a murine macrophage cell line exposed to library seven metal and oxide nanoparticles was evaluated via High Throughput Screening (HTS) assay employing luciferase-reporters for ten independent toxicity-related signaling pathways. Similarities toxicity among the were identified Self-Organizing Map (SOM) analysis. This analysis, applied HTS data, quantified significance pathway responses (SPRs) population nanomaterials relative untreated cells, using Strictly Standardized Mean...
The development of classification nano-structure-activity Relationships (nano-SARs) nanoparticle (NP) bioactivity is presented with the aim demonstrating integration multiparametric toxicity/bioactivity assays to arrive at statistically meaningful class definitions (i.e., bioactivity/inactivity endpoints), as well implications nano-SAR applicability domains and decision boundaries. Nano-SARs are constructed based on a dataset 44 iron oxide core nanoparticles (NPs), used in molecular imaging...
Because a variety of human-related activities, engineer-ed nanoparticles (ENMs) may be released to various environmental media and cross boundaries, thus will found in most media. Therefore, the potential impacts ENMs must assessed from multimedia perspective with an integrated risk management approach that considers rapid developments increasing use new nanomaterials.Accordingly, this Account presents rational process for integration silico ENM toxicity fate transport analyses impact...
Lignin is one of the most abundant biopolymers in nature and has great potential to be transformed into high-value chemicals. However, limited availability molecular structure data hinders its industrial applications. Herein, we present Structural (LGS) Dataset that includes milled wood lignin focusing on two major monomeric units (coniferyl syringyl), six common interunit linkages (phenylpropane β-aryl ether, resinol, phenylcoumaran, biphenyl, dibenzodioxocin, diaryl ether). The dataset...
A phenotype recognition model was developed for high throughput screening (HTS) of engineered Nano-Materials (eNMs) toxicity using zebrafish embryo developmental response classified, from automatically captured images and without manual manipulation positioning, by three basic phenotypes (i.e., hatched, unhatched, dead). The built with a set vectorial descriptors providing image color texture information. best performing attained (color histogram, representative color, layout) identified as...
Smart Healthcare is a relatively new context-aware healthcare paradigm influenced by several fields of knowledge, namely medical informatics, communications and electronics, bioengineering, ethics so on. Thus, many challenging problems are related to smart but in cases they explored individually their respective and, as result, not always known the research community working more specific domains. The aim this article identify some most relevant trends lines that going affect field years...
Abstract Virtual reality is a powerful tool with the ability to immerse user within completely external environment. This immersion particularly useful when visualizing and analyzing interactions between small organic molecules, molecular inorganic complexes, biomolecular systems such as redox proteins enzymes. A common used in biomedical community analyze Adaptive Poisson‐Boltzmann Solver (APBS) software, which was developed solve equations of continuum electrostatics for large assemblages....
Cancer cells have unique but widely varying characteristics that proven them difficult to be treated by classical therapeutics and calls for novel selective treatment options. Nanomaterials (NMs) been shown display biological effects as a function of their chemical composition, the extent exact nature these can vary between different environments. Here, ZnO NMs are doped with increasing levels Fe, which allows finely tune dissolution rate resulting in significant differences behavior on...