Works Published in 2021
Displaying works 41 - 60 of 74 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2021 journal article
Leveraging high-throughput screening data, deep neural networks, and conditional generative adversarial networks to advance predictive toxicology
PLOS COMPUTATIONAL BIOLOGY, 17(7).
Ed(s): V. Hatzimanikatis
MeSH headings : Animals; Computational Biology; Embryo, Nonmammalian / drug effects; High-Throughput Screening Assays; Models, Chemical; Neural Networks, Computer; Toxicity Tests; Toxicology; Zebrafish
TL;DR:
E embryonic zebrafish were used to examine a suite of morphological and mortality endpoints at six concentrations from over 1,000 unique chemicals found in the ToxCast library, and Go-ZT significantly outperformed the cGAN, support vector machine, random forest and multilayer perceptron models in cross-validation, and when tested against an external test dataset.
(via Semantic Scholar)
journals.plos.org (publisher PDF)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: July 5, 2021
2021 journal article
CATMoS: Collaborative Acute Toxicity Modeling Suite
ENVIRONMENTAL HEALTH PERSPECTIVES, 129(4).
MeSH headings : Animals; Computer Simulation; Government Agencies; Rats; Toxicity Tests, Acute; United States; United States Environmental Protection Agency
TL;DR:
In silico models built using existing data facilitate rapid acute toxicity predictions without using animals, and CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for in vivo rat acute oral toxicity studies.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: June 28, 2021
2021 journal article
Concurrent Evaluation of Mortality and Behavioral Responses: A Fast and Efficient Testing Approach for High-Throughput Chemical Hazard Identification
Frontiers in Toxicology, 3.
TL;DR:
It is found that combining information from behavioral and mortality assessments captures early signals of potential chemical hazards, obviating the need to evaluate a comprehensive suite of morphological endpoints in initial screens for toxicity.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: June 22, 2021
2021 article
Holosteans contextualize the role of the teleost genome duplication in promoting the rise of evolutionary novelties in the ray-finned fish innate immune system
Dornburg, A., Wcisel, D. J., Zapfe, K., Ferraro, E., Roupe-Abrams, L., Thompson, A. W., … Yoder, J. A. (2021, June 11). (Vol. 6). Vol. 6.
Source: ORCID
Added: June 12, 2021
2021 article
Obituary Michael S. Bereman (1981-2021)
Muddiman, D. C., & MacCoss, M. J. (2021, May 5). JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, Vol. 32, pp. 1272–1274.
UN Sustainable Development Goal Categories
9. Industry, Innovation and Infrastructure
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: June 10, 2021
2021 article
The development and application of matrix assisted laser desorption electrospray ionization: The teenage years
Bagley, M. C., Garrard, K. P., & Muddiman, D. C. (2021, May 24). MASS SPECTROMETRY REVIEWS, Vol. 5.
author keywords: ambient ionization; direct analysis; FTMS; IR lasers; MALDESI; mass spectrometry imaging; MSiReader
MeSH headings : Spectrometry, Mass, Electrospray Ionization / methods; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods; Lasers
TL;DR:
This review will discuss the developments of MALDESI since its first laboratory demonstration in 2005 to the most recent advances in 2021.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: June 10, 2021
2021 journal article
Per- and Polyfluoroalkyl Substance (PFAS) Transport from Groundwater to Streams near a PFAS Manufacturing Facility in North Carolina, USA
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 55(9), 5848–5856.
MeSH headings : Fluorocarbons / analysis; Groundwater; Manufacturing and Industrial Facilities; North Carolina; Water Pollutants, Chemical / analysis
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 10, 2021
2021 journal article
Evaluation of the Temperature Range for Biological Activity in Landfills Experiencing Elevated Temperatures
ACS ENVIRONMENTAL SCIENCE AND TECHNOLOGY ENGINEERING, 1(2), 216–227.
author keywords: methane; inhibition; methanogenesis; archaea; fermentation
UN Sustainable Development Goal Categories
12. Responsible Consumption and Production
(Web of Science)
Sources: ORCID, Web Of Science
Added: June 1, 2021
2021 article
Extending the lymphoblastoid cell line model for drug combination pharmacogenomics
Green, A. J., Anchang, B., Akhtari, F. S., Reif, D. M., & Motsinger-Reif, A. (2021, May 28). PHARMACOGENOMICS, Vol. 22.
author keywords: combination treatment; drug response; LCLs; omics; synergism
MeSH headings : Antineoplastic Combined Chemotherapy Protocols / administration & dosage; Antineoplastic Combined Chemotherapy Protocols / therapeutic use; Cell Line, Tumor / drug effects; Humans; Lymphocytes / drug effects; Pharmacogenomic Testing / methods
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: May 29, 2021
2021 journal article
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 61(4), 1560–1569.
MeSH headings : Algorithms; Cheminformatics; Deep Learning; Humans; Quantitative Structure-Activity Relationship
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
4. Quality Education
(OpenAlex)
Source: Web Of Science
Added: May 24, 2021
2021 journal article
GlycoHunter: An Open-Source Software for the Detection and Relative Quantification of INLIGHT-Labeled N-Linked Glycans
JOURNAL OF PROTEOME RESEARCH, 20(4), 1855–1863.
author keywords: glycomics; INLIGHT; N-linked glycans; data analysis; open source; software
TL;DR:
GlycoHunter, a user-friendly software created in MATLAB that enables researchers to accurately and efficiently process MS1 glycomics data where a NAT and SIL pair is generated for relative quantification, including but not limited to, INLIGHT.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: May 3, 2021
2021 journal article
From Plants to Ants: Fungal Modification of Leaf Lipids for Nutrition and Communication in the Leaf-Cutter Ant Fungal Garden Ecosystem
MSYSTEMS, 6(2).
author keywords: 18:2; 18:3; alpha-linolenic acid; fungal garden ecosystem; interkingdom communication; leaf-cutter ants; lignocellulose degradation; linoleic acid; lipidomics; mass spectrometry
TL;DR:
This work demonstrates the role of lipids in both the transfer of energy and as an interkingdom communication tool in leaf-cutter ant fungal gardens and provides insights as to how the fungus modifies plant lipids into a usable source for the ants.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: April 28, 2021
2021 journal article
Spatial Distribution of Polycyclic Aromatic Hydrocarbon Contaminants after Hurricane Harvey in a Houston Neighborhood.
Journal of Health & Pollution.
TL;DR:
Findings from this study highlight the need for fine scale soil testing in residential areas as well as the importance of site-specific risk assessment in response to a major hurricane.
(via Semantic Scholar)
Source: ORCID
Added: April 28, 2021
2021 journal article
The VKORC1 ER-luminal loop mutation (Leu76Pro) leads to a significant resistance to warfarin in black rats (Rattus rattus)
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 173.
author keywords: Vitamin K epoxide reductase; Warfarin; Rodenticide-resistance; Molecular docking; Molecular dynamics simulations
MeSH headings : Animals; Drug Resistance / genetics; Mutation; Rats; Rodenticides / toxicity; Vitamin K Epoxide Reductases / genetics; Warfarin / pharmacology
TL;DR:
It is concluded that a single mutation of VKOR at position 76 leads to a significant resistance to warfarin by modifying the types and numbers of intermolecular interactions between the two.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: April 26, 2021
2021 review
Uncovering Evidence for Endocrine-Disrupting Chemicals That Elicit Differential Susceptibility through Gene-Environment Interactions
[Review of ]. TOXICS, 9(4).
author keywords: endocrine-disrupting chemical (EDC); gene-environment interaction (GxE); differential susceptibility
TL;DR:
It is proposed that EDCs causing such differential responses may be identified by looking for a signal of population variability after exposure, and called for further, deeper analysis of the EDCs, particularly the thyroid disruptors, to identify if these chemicals participate in GxE leading to differences in susceptibility.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: April 7, 2021
2021 journal article
Ion Mobility Spectrometry Characterization of the Intermediate Hydrogen-Containing Gold Cluster Au-7(PPh3)(7)H-5(2+)
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(10), 2502–2508.
TL;DR:
The findings indicate that hydrogen-containing species like Au7(PPh3)7H52+ act as intermediates in the formation of larger phosphine ligated gold clusters, which is necessary for scalable synthesis of clusters with tailored properties.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: April 5, 2021
2021 journal article
A Comparative Analysis of Analytical Techniques for Rapid Oil Spill Identification
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 40(4), 1034–1049.
author keywords: Ion mobility spectrometry– mass spectrometry; Fingerprinting; Petroleum
MeSH headings : Gas Chromatography-Mass Spectrometry; Gasoline; Hydrocarbons; Petroleum / analysis; Petroleum Pollution / analysis
TL;DR:
The utility of IMS‐MS as a technique for rapid fingerprinting of complex samples and its advantages over traditional GC‐MS‐based analyses when used for decision‐making in emergency situations are demonstrated.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: April 5, 2021
2021 personal communication
The COVID-19 Pandemic Vulnerability Index (PVI) Dashboard: Monitoring County-Level Vulnerability Using Visualization, Statistical Modeling, and Machine Learning
Marvel, S. W., House, J. S., Wheeler, M., Song, K., Zhou, Y.-H., Wright, F. A., … Reif, D. M. (2021, January).
MeSH headings : COVID-19 / epidemiology; Data Visualization; Health Status Indicators; Humans; Machine Learning; Models, Statistical; Vulnerable Populations
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: March 22, 2021
2021 journal article
Periphyton enhances arsenic release and methylation at the soil-water interface of paddy soils
JOURNAL OF HAZARDOUS MATERIALS, 409.
author keywords: Arsenic; Soil-water interface; Periphyton; Microcosm; Arsenic methylation gene
TL;DR:
The results from the field study revealed a high abundance and diversity of As biotransformation and detoxification genes in periphyton and Genera of Kineosporia, Limisphaera, Ornatilinea, Ktedonosporobacter and Anaerolinea played key roles in shaping arsM harboring microbe communities in field peripHYton.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Source: Web Of Science
Added: March 22, 2021
2021 journal article
Utilizing Ion Mobility-Mass Spectrometry to Investigate the Unfolding Pathway of Cu/Zn Superoxide Dismutase
FRONTIERS IN CHEMISTRY, 9.
author keywords: ion mobility spectrometry; native mass spectrometry; superoxide dismutase; SOD1; drift tube ion mobility spectrometry; trapped ion mobility spectrometry
TL;DR:
The observed CCSvalues were in excellent agreement with computational CCS values predicted from the homo-dimer crystal structure, showcasing the ability to use both IMS-MS platforms to provide valuable structural information for molecular modeling of protein interactions and structural assessments.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: March 15, 2021
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