Works Published in 2019

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Displaying works 1 - 20 of 36 in total

Sorted by most recent date added to the index first, which may not be the same as publication date order.

2019 journal article

Corrections to “Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library”

Corrections to “Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library.” ACS Sustainable Chemistry & Engineering, 7(1), 1806–1806.

By: T. Williams, G. Van Den Driessche, A. Valery, D. Fourches* & H. Freeman

Source: Crossref
Added: December 21, 2020

2019 journal article

Grouping of complex substances using analytical chemistry data: A framework for quantitative evaluation and visualization

PLOS ONE, 14(10).

MeSH headings : Chemistry Techniques, Analytical / methods; Gas Chromatography-Mass Spectrometry; Petroleum / analysis; Principal Component Analysis; Reference Standards; Sample Size
TL;DR: A framework with unsupervised and supervised analyses to optimally group complex substances based on their analytical features is proposed and a quantitative comparative assessment of clustering results via Fowlkes–Mallows index, and classification results via model accuracies in predicting the group of an unknown complex substance is presented. (via Semantic Scholar)
Source: Web Of Science
Added: June 1, 2020

2019 journal article

Adipocytes as Anticancer Drug Delivery Depot

MATTER, 1(5), 1203–1214.

TL;DR: The lipid metabolism is exploited to engineer adipocytes that serve as a depot to deliver cancer therapeutics at the tumor site, promoting antitumor efficacy and downregulation of PD-L1 expression is observed in tumor cells. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Source: Web Of Science
Added: April 6, 2020

2019 journal article

Altered bile acid profile associates with cognitive impairment in Alzheimer's disease—An emerging role for gut microbiome

Alzheimer's & Dementia, 15(1), 76–92.

By: S. MahmoudianDehkordi*, M. Arnold*, K. Nho*, S. Ahmad*, W. Jia*, G. Xie*, G. Louie*, A. Kueider-Paisley* ...

author keywords: Metabolomics; Metabolome; Lipidomics; Alzheimer's disease; Gut microbiome; Gut-liver-brain axis; Atlas for Alzheimer; Genetic variants; Immunity; Inflammation
MeSH headings : Aged; Alzheimer Disease / microbiology; Alzheimer Disease / physiopathology; Bile Acids and Salts / blood; Bile Acids and Salts / metabolism; Cognitive Dysfunction / metabolism; Dysbiosis; Female; Gastrointestinal Microbiome; Humans; Liver / metabolism; Male; Metabolome
TL;DR: An association between altered BA profile, genetic variants implicated in AD and cognitive changes in disease is reported using a large multicenter study and warrant further investigation of gut dysbiosis and possible role of gut liver brain axis in the pathogenesis of AD. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Source: Crossref
Added: February 21, 2020

2019 journal article

Comparison of smoking-related DNA methylation between newborns from prenatal exposure and adults from personal smoking

EPIGENOMICS, 11(13), 1487–1500.

By: S. Sikdar*, R. Joehanes*, B. Joubert*, C. Xu*, M. Vives-Usano*, F. Rezwan*, J. Felix*, J. Ward* ...

author keywords: cigarette smoking; epigenetics; infant; maternal exposure; methylation
MeSH headings : Adult; Cohort Studies; CpG Islands; DNA Methylation; Epigenesis, Genetic; Epigenomics / methods; Female; Humans; Infant, Newborn; Maternal Exposure / adverse effects; Pregnancy; Prenatal Exposure Delayed Effects / epidemiology; Prenatal Exposure Delayed Effects / genetics; Tobacco Smoking / epidemiology; Tobacco Smoking / genetics
TL;DR: Comparing meta-analyses, numerous signatures specific to newborns along with many shared between newborns and adults were identified and unique smoking-associated genes in newborns were enriched in xenobiotic metabolism pathways. (via Semantic Scholar)
Source: Web Of Science
Added: December 9, 2019

2019 journal article

Sex-specific effects of perinatal FireMaster® 550 (FM 550) exposure on socioemotional behavior in prairie voles

Neurotoxicology and Teratology.

By: S. Gillera n, W. Marinello n, B. Horman n, A. Phillips*, M. Ruis*, H. Stapleton*, D. Reif n, H. Patisaul n

Contributors: S. Gillera n, W. Marinello n, B. Horman n, A. Phillips*, M. Ruis*, H. Stapleton*, D. Reif n, H. Patisaul n

author keywords: Social; Anxiety; Brain; Neurodevelopment; Neural; Endocrine disruptors; Endocrine disrupting chemicals; Flame retardants
MeSH headings : Animals; Anxiety / chemically induced; Arvicolinae; Behavior, Animal / drug effects; Exploratory Behavior / drug effects; Female; Flame Retardants / toxicity; Male; Organophosphates / toxicity; Polybrominated Biphenyls / toxicity; Pregnancy; Prenatal Exposure Delayed Effects / chemically induced; Prenatal Exposure Delayed Effects / psychology; Sex Characteristics; Social Behavior
TL;DR: The utility of the prairie vole for investigating the impact of chemical exposures on social behavior is demonstrated and the hypothesis that developmental FR exposure impacts the social brain is supported. (via Semantic Scholar)
Source: ORCID
Added: December 4, 2019

2019 journal article

Multivariate modeling of engineered nanomaterial features associated with developmental toxicity

NanoImpact, 16.

author keywords: Engineered nanomaterials; Predictive modeling; Feature analysis; Developmental toxicity; Zebrafish
TL;DR: This work analyzes ENM physico-chemical measurements that have not previously been studied within a developmental toxicity framework using an embryonic zebrafish model and finds that concentration, surface area, shape, and polydispersity can accurately capture the developmental toxicity profile of ENMs with consideration to whole-organism effects. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: ORCID
Added: December 4, 2019

2019 journal article

Synergistic Chemotherapy Drug Response Is a Genetic Trait in Lymphoblastoid Cell Lines

FRONTIERS IN GENETICS, 10.

author keywords: synergy; heritability; chemotherapy; lymphoblastoid cell lines; linkage mapping
TL;DR: It is demonstrated that synergy occurs and can be quantified in LCLs across a range of clinically important drug combinations, which supports the premise of expanding the use of the LCL model to perform association mapping for combination therapies. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: December 2, 2019

2019 article

Development of the Texas A&M Superfund Research Program Computational Platform for Data Integration, Visualization, and Analysis

29TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, PT A, Vol. 46, pp. 967–972.

author keywords: Data analytics; data integration; statistical analysis; collaborative networks
TL;DR: The Texas A&M Superfund Research Program computational platform is demonstrated, which houses and integrates large-scale, diverse datasets generated across the Center, provides basic visualization service to facilitate interpretation, monitors data quality, and finally implements a variety of state-of-the-art statistical analysis for model/tool development. (via Semantic Scholar)
Source: Web Of Science
Added: November 25, 2019

2019 journal article

Novel Neuroprotective Loci Modulating Ischemic Stroke Volume in Wild-Derived Inbred Mouse Strains

GENETICS, 213(3), 1079–1092.

author keywords: ischemic stroke; wild-derived mouse strains; neuroprotection; quantitative trait mapping
MeSH headings : Animals; Female; Genetic Predisposition to Disease; Inbreeding; Infarction, Middle Cerebral Artery / genetics; Male; Mice; Polymorphism, Single Nucleotide; Quantitative Trait Loci
TL;DR: This study expanded the pool of allelic variation among classical inbred mouse strains by utilizing the eight founder strains of the Collaborative Cross and found a wild-derived strain, WSB/EiJ, that breaks this general rule that collateral vessel density inversely correlates with infarct volume. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Source: Web Of Science
Added: November 25, 2019

2019 article

Bile acids targeted metabolomics and medication classification data in the ADNI1 and ADNIGO/2 cohorts

St John-Williams, L., Mahmoudiandehkordi, S., Arnold, M., Massaro, T., Blach, C., Kastenmueller, G., … Kaddurah-Daouk, R. (2019, October 17). SCIENTIFIC DATA, Vol. 6.

By: L. St John-Williams*, S. Mahmoudiandehkordi*, M. Arnold*, T. Massaro*, C. Blach*, G. Kastenmueller, G. Louie*, A. Kueider-Paisley* ...

MeSH headings : Aged; Aged, 80 and over; Alzheimer Disease / metabolism; Bile Acids and Salts / blood; Disease Progression; Female; Humans; Male; Metabolomics
TL;DR: This data descriptor represents the third in a series of comprehensive metabolomics datasets from the ADMC on the ADNI, and details the quantitative metabolomics data generated on the baseline samples from ADNI1 and ADNIGO/2. (via Semantic Scholar)
Source: Web Of Science
Added: November 11, 2019

2019 journal article

Long-term incidence and risk of noncardiovascular and all-cause mortality in apparently healthy cats and cats with preclinical hypertrophic cardiomyopathy

JOURNAL OF VETERINARY INTERNAL MEDICINE, 33(6), 2572–2586.

By: P. Fox*, B. Keene n, K. Lamb, K. Schober*, V. Chetboul*, V. Fuentes*, J. Payne, G. Wess ...

author keywords: cancer; chronic kidney disease; epidemiology; mortality; survival
MeSH headings : Animals; Cardiomyopathy, Hypertrophic / mortality; Cardiomyopathy, Hypertrophic / veterinary; Cat Diseases / mortality; Cats; Female; Incidence; Male; Retrospective Studies; Risk Factors
TL;DR: All‐cause mortality was significantly greater in pHCM cats due to disease burden contributed by increased cardiovascular death superimposed upon noncardiovascular death. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Source: Web Of Science
Added: October 28, 2019

2019 journal article

Genome-wide DNA copy number analysis and targeted transcriptional analysis of canine histiocytic malignancies identifies diagnostic signatures and highlights disruption of spindle assembly complex

CHROMOSOME RESEARCH, 27(3), 179–202.

author keywords: Histiocytic sarcoma; Chromothripsis; MMP9; Aurora kinase; Dendritic cell sarcoma
MeSH headings : Animals; Chromosome Disorders; DNA Copy Number Variations / genetics; Dog Diseases / diagnosis; Dog Diseases / genetics; Dogs; Gene Expression Profiling; Genome / genetics; Histiocytic Disorders, Malignant / diagnosis; Histiocytic Disorders, Malignant / genetics; Histiocytic Disorders, Malignant / veterinary; Humans; Immunohistochemistry / methods; Matrix Metalloproteinase 9 / metabolism; Spindle Apparatus / pathology
TL;DR: Droplet digital PCR evaluation of these regions in numerous cancer specimens effectively discriminated HM from other common round cell tumors, including lymphoma and hemangiosarcoma, resulting in a novel, rapid diagnostic aid for veterinary medicine. (via Semantic Scholar)
UN Sustainable Development Goal Categories
10. Reduced Inequalities (OpenAlex)
Source: Web Of Science
Added: September 30, 2019

2019 review

4D-quantitative structure-activity relationship modeling: making a comeback

[Review of ]. EXPERT OPINION ON DRUG DISCOVERY, 14(12), 1227–1235.

By: D. Fourches n & J. Ash n

author keywords: 4D descriptors; cheminformatics; QSAR; molecular dynamics
MeSH headings : Drug Design; Drug Discovery / methods; Humans; Ligands; Models, Molecular; Molecular Dynamics Simulation; Pharmaceutical Preparations / chemistry; Quantitative Structure-Activity Relationship
TL;DR: There has never been a better time and relevance for molecular modeling teams to engage in hyper-predictive MD-QSAR modeling, which could represent a disruptive technology for analyzing, understanding, and optimizing dynamic protein-ligand interactions with countless applications for drug discovery and chemical toxicity assessment. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Source: Web Of Science
Added: September 30, 2019

2019 journal article

Population-based toxicity screening in human induced pluripotent stem cell-derived cardiomyocytes

Toxicology and Applied Pharmacology, 381.

By: S. Burnett*, A. Blanchette*, F. Grimm*, J. House n, D. Reif n, F. Wright n, W. Chiu*, I. Rusyn*

Contributors: S. Burnett*, A. Blanchette*, F. Grimm*, J. House n, D. Reif n, F. Wright n, W. Chiu*, I. Rusyn*

author keywords: iPSC; In vitro; Alternative methods; Cardiotoxicity; High-content screening; Environmental chemicals
MeSH headings : Calcium / metabolism; Cardiotoxicity; Cells, Cultured; Drug Evaluation, Preclinical / methods; Female; Genotype; Humans; Induced Pluripotent Stem Cells / cytology; Male; Myocytes, Cardiac / drug effects; Myocytes, Cardiac / metabolism; Phenotype; Racial Groups; Toxicity Tests / methods
TL;DR: This study shows the feasibility of using an organotypic population-based human in vitro model to quantitatively assess chemicals for which little cardiotoxicity information is available, and shows reproducible inter-individual variability in both baseline and chemical-induced effects on iPSC-derived cardiomyocytes. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: ORCID
Added: August 30, 2019

2019 journal article

Integration of curated and high-throughput screening data to elucidate environmental influences on disease pathways

Computational Toxicology, 12.

Contributors: M. Kosnik n, A. Planchart n, S. Marvel n, D. Reif n & C. Mattingly n

Source: ORCID
Added: August 30, 2019

2019 journal article

A Genetic Locus on Chromosome 2q24 Predicting Peripheral Neuropathy Risk in Type 2 Diabetes: Results From the ACCORD and BARI 2D Studies

DIABETES, 68(8), 1649–1662.

MeSH headings : Aged; Alleles; Chromosomes, Human, Pair 2; Databases, Genetic; Diabetes Mellitus, Type 2 / complications; Diabetes Mellitus, Type 2 / epidemiology; Diabetes Mellitus, Type 2 / genetics; Diabetic Neuropathies / genetics; Female; Gene Frequency; Genetic Loci; Genetic Predisposition to Disease; Genome-Wide Association Study; Humans; Incidence; Male; Middle Aged; Polymorphism, Single Nucleotide; Prevalence
TL;DR: A previously unknown locus with a powerful protective effect on the development of DPN in T2D is identified and successfully validated and may provide novel insights into DPN pathogenesis and point to a potential target for novel interventions. (via Semantic Scholar)
Source: Web Of Science
Added: August 12, 2019

2019 journal article

Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline

JOURNAL OF CHEMICAL EDUCATION, 96(2), 291–295.

By: D. Fourches n & J. Feducia n

author keywords: Chemoinformatics; Organic Chemistry; Hands-On Learning/Manipulatives; First-Year Undergraduate/General; Second-Year Undergraduate
TL;DR: A 3D printing activity in two separate Organic Chemistry lectures of at least 200 students each required students to 3D print a molecule of their choice, relying on services made available through the university libraries. (via Semantic Scholar)
UN Sustainable Development Goal Categories
4. Quality Education (Web of Science; OpenAlex)
Source: Web Of Science
Added: August 12, 2019

2019 journal article

Using Collaborative Cross Mouse Population to Fill Data Gaps in Risk Assessment: A Case Study of Population-Based Analysis of Toxicokinetics and Kidney Toxicodynamics of Tetrachloroethylene

ENVIRONMENTAL HEALTH PERSPECTIVES, 127(6).

MeSH headings : Animals; Collaborative Cross Mice; Glutathione / analogs & derivatives; Glutathione / metabolism; Hepatitis A Virus Cellular Receptor 1 / genetics; Hepatitis A Virus Cellular Receptor 1 / metabolism; Kidney / drug effects; Kidney Diseases / chemically induced; Kidney Diseases / metabolism; Liver / drug effects; Male; Risk Assessment / methods; Species Specificity; Tetrachloroethylene / metabolism; Tetrachloroethylene / pharmacokinetics; Tetrachloroethylene / toxicity; Toxicokinetics
TL;DR: The utility of the CC mouse population is demonstrated in characterizing metabolism–toxicity interactions and quantifying interindividual variability and the default uncertainty factor for human variability may be marginally adequate to protect 95%, but not more, of the population for kidney toxicity mediated by PERC. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: July 29, 2019

2019 journal article

Determination of chemical-disease risk values to prioritize connections between environmental factors, genetic variants, and human diseases

Toxicology and Applied Pharmacology, 379, 114674.

By: M. Kosnik n & D. Reif n

Contributors: M. Kosnik n & D. Reif n

author keywords: Data integration; Risk assessment; New approach methodologies; Gene-environment interactions
MeSH headings : Animals; Databases, Factual; Datasets as Topic; Environmental Exposure / adverse effects; Environmental Exposure / statistics & numerical data; Gene-Environment Interaction; Genetic Predisposition to Disease / etiology; Genetic Predisposition to Disease / genetics; Genetic Variation; High-Throughput Screening Assays; Humans; Information Storage and Retrieval; Risk Assessment / methods; Toxicology / methods
TL;DR: This work presents an approach that systematically links multiple data sources to relate chemical risk values to diseases and gene-disease variants and develops a new value that estimates the risk of these associations toward differential population responses. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: ORCID
Added: July 17, 2019

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