Works Published in 2020
Displaying works 61 - 80 of 99 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2020 journal article
Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 60(7), 3342–3360.
MeSH headings : Benchmarking; Imatinib Mesylate / pharmacology; Molecular Docking Simulation; Quantitative Structure-Activity Relationship; Reproducibility of Results
TL;DR:
This work employed molecular docking and molecular dynamics on a large series of Imatinib derivatives and developed an ensemble of QSAR models relying on deep neural nets (DNN) and hybrid sets of 2D/3D/MD descriptors in order to predict the binding affinity and inhibition potencies of those compounds.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Source: Web Of Science
Added: August 24, 2020
2020 article
The COVID-19 Pandemic Vulnerability Index (PVI) Dashboard: monitoring county level vulnerability
Marvel, S. W., House, J. S., Wheeler, M., Song, K., Zhou, Y., Wright, F. A., … Reif, D. M. (2020, August 13). (Vol. 8). Vol. 8.
TL;DR:
The Pandemic Vulnerability Index (PVI) presents a visual synthesis of county-level vulnerability indicators that can be compared in a regional, state, or nationwide context to enable more effective and coordinated action to combat the pandemic.
(via Semantic Scholar)
doi.org (repository)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: August 21, 2020
2020 journal article
Novel peptide ligands for antibody purification provide superior clearance of host cell protein impurities
JOURNAL OF CHROMATOGRAPHY A, 1625.
author keywords: Peptide affinity ligands; Protein A; mAb purification; Affinity chromatography; Peptide design
MeSH headings : Amino Acid Sequence; Animals; Antibodies, Monoclonal / isolation & purification; Antibodies, Monoclonal / metabolism; CHO Cells; Chromatography, Affinity / methods; Cricetinae; Cricetulus; Immunoglobulin G / isolation & purification; Immunoglobulin G / metabolism; Ligands; Peptides / chemical synthesis; Peptides / chemistry; Peptides / metabolism; Protein Binding; Staphylococcal Protein A / chemistry; Staphylococcal Protein A / metabolism
TL;DR:
WQRHGI-WorkBeads resin was finally characterized by purification of a monoclonal antibody from a Chinese Hamster Ovary cell culture harvest, affording a remarkable HCP LRV of 2.7, and consistent product yield and purity over 100 chromatographic cycles.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 10, 2020
2020 journal article
Abrasion Resistance of Concrete Exposed to Organic Acids
JOURNAL OF MATERIALS IN CIVIL ENGINEERING, 32(8).
UN Sustainable Development Goal Categories
12. Responsible Consumption and Production
(Web of Science)
Sources: Web Of Science, ORCID
Added: July 13, 2020
2020 article
QSAR without borders (vol 10, pg 531, 2020)
Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., … Tropsha, A. (2020, June 7). CHEMICAL SOCIETY REVIEWS, Vol. 49, pp. 3716–3716.
TL;DR:
This research presents a novel probabilistic procedure called QSAR without borders, which can be used to assess the severity of the impact of natural disasters on the response of the immune system.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: July 6, 2020
2020 review
QSAR without borders
[Review of ]. CHEMICAL SOCIETY REVIEWS, 49(11), 3525–3564.
MeSH headings : Algorithms; Animals; Artificial Intelligence; Chemistry, Pharmaceutical / methods; Databases, Factual; Drug Design; Drug-Related Side Effects and Adverse Reactions / metabolism; History, 20th Century; History, 21st Century; Humans; Models, Molecular; Pharmaceutical Preparations / chemistry; Quantitative Structure-Activity Relationship; Quantum Theory; Reproducibility of Results
TL;DR:
This Perspective summarizes recent technological advances in QSAR modeling but it also highlights the applicability of algorithms, modeling methods, and validation practices developed inQSAR to a wide range of research areas outside of traditional QSar boundaries including synthesis planning, nanotechnology, materials science, biomaterials, and clinical informatics.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: July 6, 2020
2020 journal article
The impact of pressure, moisture and temperature on pyrolysis of municipal solid waste under simulated landfill conditions and relevance to the field data from elevated temperature landfill
SCIENCE OF THE TOTAL ENVIRONMENT, 723.
author keywords: Municipal solid waste; Landfill; Pyrolysis; Elevated temperature landfills; Solid waste management; Thermal reactions
TL;DR:
The observed change in solid MSW and gas composition under controlled pressure, moisture, and temperature suggests the presence of thermal reactions in the absence of oxygen.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
12. Responsible Consumption and Production
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: June 15, 2020
2020 journal article
Enabling Organic Micropollutant Removal from Water by Full-Scale Biochar and Activated Carbon Adsorbers Using Predictions from Bench-Scale Column Data
ENVIRONMENTAL ENGINEERING SCIENCE, 37(7), 459–471.
author keywords: activated carbon; adsorption modeling; biochar; contaminants of emerging concern; rapid small-scale column testing; wastewater
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, ORCID
Added: June 1, 2020
2020 journal article
Analysis of neurotransmitters in rat placenta exposed to flame retardants using IR-MALDESI mass spectrometry imaging
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(15), 3745–3752.
author keywords: IR-MALDESI; Mass spectrometry imaging; Neurotransmitters; Exposomics
MeSH headings : Animals; Female; Flame Retardants / adverse effects; Infrared Rays; Neurotransmitter Agents / analysis; Optical Imaging / instrumentation; Optical Imaging / methods; Placenta / chemistry; Placenta / diagnostic imaging; Pregnancy; Rats; Rats, Wistar; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / instrumentation; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR:
Changes in the abundance and spatial distribution of neurotransmitters in rat placenta following chemical exposure could be determined using infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) mass spectrometry imaging.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: June 1, 2020
2020 journal article
Space colonization by branching trachea explains the morphospace of a simple respiratory organ
DEVELOPMENTAL BIOLOGY, 462(1), 50–59.
author keywords: Branching morphogenesis; Mayfly gill; Cloeon; Space colonization algorithm; Computational models; Branchless; Fibroblast growth factor
MeSH headings : Algorithms; Animals; Body Patterning / genetics; Ephemeroptera / embryology; Ephemeroptera / genetics; Ephemeroptera / metabolism; Gene Expression Regulation, Developmental / genetics; Genes, Insect / genetics; Gills; Larva / metabolism; Models, Biological; Morphogenesis; Signal Transduction; Trachea / embryology; Trachea / metabolism
TL;DR:
The tracheal gills of mayfly (Ephemeroptera) larvae are introduced as a model system to study the generation of branched respiratory patterns and it is shown how an algorithm based on the "space colonization" concept (SCA) can generate this branching morphospace via growth towards a hypothetical attractor molecule (M).
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: May 26, 2020
2020 journal article
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
JOURNAL OF CHEMINFORMATICS, 12(1).
author keywords: Transfer learning; Neural networks; Self-supervised learning; QSPR; QSAR
TL;DR:
The Molecular Prediction Model Fine-Tuning approach is proposed, an effective transfer learning method based on self-supervised pre-training + task-specific fine-tuning for QSPR/QSAR modeling for smaller chemical datasets with specific endpoints.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: May 18, 2020
2020 journal article
In vivo assessment of respiratory burst inhibition by xenobiotic exposure using larval zebrafish
Journal of Immunotoxicology, 17(1), 94–104.
author keywords: Chemical screen; high throughput; phagocyte; reactive oxygen species (ROS); polycyclic aromatic hydrocarbons (PAH); endocrine disrupting compounds (EDC); lead
MeSH headings : Animals; Animals, Genetically Modified; Benzo(a)pyrene / adverse effects; Blood Cell Count; Cytotoxicity Tests, Immunologic / methods; Embryo, Nonmammalian; Estradiol / adverse effects; Feasibility Studies; High-Throughput Screening Assays / methods; Immunity, Innate / drug effects; Macrophages / drug effects; Macrophages / immunology; Methoxychlor / adverse effects; Neutrophils / drug effects; Neutrophils / immunology; Organometallic Compounds / adverse effects; Phenanthrenes / adverse effects; Reactive Oxygen Species / analysis; Reactive Oxygen Species / metabolism; Respiratory Burst / drug effects; Respiratory Burst / immunology; Zebrafish
TL;DR:
The utility of zebrafish larvae as a vertebrate model for identifying compounds that impact innate immune function at non-teratogenic levels is demonstrated and validates measuring ROS production and phagocyte numbers as metrics for monitoring how xenobiotic exposure alters the innate immune system.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
14. Life Below Water
(OpenAlex)
Source: ORCID
Added: May 15, 2020
2020 journal article
Pilot scale removal of per- and polyfluoroalkyl substances and precursors from AFFF-impacted groundwater by granular activated carbon
ENVIRONMENTAL SCIENCE-WATER RESEARCH & TECHNOLOGY, 6(4), 1083–1094.
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 27, 2020
2020 journal article
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides
JOURNAL OF CHEMINFORMATICS, 12(1).
author keywords: Macrolides; PKS enumerator; In silico chemical library software; Polyketides
TL;DR:
A new cheminformatics enumeration technology—SIME, synthetic insight-based macrolide enumerator—a new and improved software technology that can enumerate fully assembled macrolides with synthetic feasibility by utilizing the constitutional and structural knowledge extracted from biosynthetic aspects of macrolided.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: April 27, 2020
2020 journal article
An Assessment of the Dynamic Global Warming Impact Associated with Long-Term Emissions from Landfills
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 54(3), 1304–1313.
MeSH headings : Carbon Dioxide; Global Warming; Greenhouse Effect; Greenhouse Gases; Methane; Solid Waste; Waste Disposal Facilities
TL;DR:
A life-cycle model was developed to estimate GHG emissions for three gas treatment cases (passive venting, flare, CH4 conversion to electricity) and four decay rates and shows that when comparing single-point GWP values, the choice of static versus dynamic is relatively unimportant for most landfills.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
12. Responsible Consumption and Production
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 20, 2020
2020 journal article
Associations between urine phthalate metabolites and thyroid function in pregnant women and the influence of iodine status
ENVIRONMENT INTERNATIONAL, 137.
author keywords: Phthalates; Thyroid hormones; Pregnancy; Iodine; The Norwegian Mother; Father and Child Cohort study; MoBa
MeSH headings : Child; Cohort Studies; Cross-Sectional Studies; Environmental Exposure; Environmental Pollutants; Female; Humans; Iodine; Norway; Phthalic Acids / toxicity; Phthalic Acids / urine; Pregnancy; Prospective Studies; Thyroid Gland / drug effects; Thyroid Gland / physiopathology
TL;DR:
It is found that phthalate exposure is associated with thyroid function in mid-pregnancy among Norwegian women, and that iodine intake, which is essential for thyroid health, could influence some of these relationships.
(via Semantic Scholar)
Sources: Web Of Science, ORCID
Added: April 20, 2020
2020 journal article
Prenatal pesticide exposure and respiratory health outcomes in the first year of life: Results from the infants' Environmental Health (ISA) study
INTERNATIONAL JOURNAL OF HYGIENE AND ENVIRONMENTAL HEALTH, 225.
author keywords: Pesticides; Mancozeb; Respiratory outcomes; Infants; Costa Rica
MeSH headings : Adult; Environmental Pollutants / urine; Ethylenethiourea / metabolism; Female; Humans; Infant; Infant Health; Male; Maneb / urine; Maternal Exposure; Maternal-Fetal Exchange; Pesticides / urine; Pregnancy; Prenatal Exposure Delayed Effects; Respiratory Sounds; Respiratory Tract Infections / epidemiology; Young Adult; Zineb / urine
TL;DR:
Exposure to mancozeb/ETU during the first half of pregnancy may be associated with respiratory outcomes in the first year of life, and null associations between other pesticide metabolites measured during pregnancy and respiratory outcomes are observed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 14, 2020
2020 journal article
Heterozygous mutation of sonic hedgehog receptor (Ptch1) drives cerebellar overgrowth and sex-specifically alters hippocampal and cortical layer structure, activity, and social behavior in female mice
NEUROTOXICOLOGY AND TERATOLOGY, 78.
Contributors: T. Jackson n, G. Bendfeldt n, K. Beam n, K. Rock n & S. Belcher n
author keywords: Cerebellum; Cortex; Holoprosencephaly; Hyperactivity; Medial prefrontal cortex; Medulloblastoma; Sex differences
MeSH headings : Animals; Cerebellum / anatomy & histology; Cerebellum / physiology; Cerebral Cortex / anatomy & histology; Cerebral Cortex / physiology; Female; Heterozygote; Hippocampus / anatomy & histology; Hippocampus / physiology; Mice, Knockout; Mutation; Patched-1 Receptor / genetics; Patched-1 Receptor / physiology; Sex Characteristics; Signal Transduction; Social Behavior
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 14, 2020
2020 article
Gender differences in respiratory health outcomes among farming cohorts around the globe: findings from the AGRICOH consortium
JOURNAL OF AGROMEDICINE.
author keywords: Farmers; Respiratory Health; Gender; Farmworkers; Occupational Exposure
MeSH headings : Adult; Agricultural Workers' Diseases / epidemiology; Agriculture; Female; Humans; Male; Occupational Exposure; Outcome Assessment, Health Care; Prevalence; Prospective Studies; Risk Factors; Sex Factors
TL;DR:
Assessment of respiratory disease prevalence among adults in 18 cohorts representing over 200,000 farmers, farm workers, and their spouses from six continents indicates that respiratory outcomes are common among farmers around the world despite differences in agricultural production.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
2. Zero Hunger
(OpenAlex)
3. Good Health and Well-being
(Web of Science)
Source: ORCID
Added: April 7, 2020
2020 journal article
Transcriptome Ortholog Alignment Sequence Tools (TOAST) for phylogenomic dataset assembly
BMC Evolutionary Biology, 20(1).
author keywords: BUSCO ortholog assembly; Cetacean and teleost fish phylogeny; Missing data visualization; Transcriptome; Concatenated alignment
MeSH headings : Animals; Datasets as Topic; Humans; Phylogeny; Sequence Alignment / methods; Software; Transcriptome
TL;DR:
ToAST is introduced, an open source R software package that can utilize the ortholog searches based on the software Benchmarking Universal Single-Copy Orthologs to assemble multiple sequence alignments of orthologous loci from transcriptomes for any group of organisms.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(Web of Science)
Source: ORCID
Added: March 31, 2020
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