A5076082995- Health, Environment, Cognitive Aging
- Glycosylation and Glycoproteins Research
- Carbohydrate Chemistry and Synthesis
- Metabolomics and Mass Spectrometry Studies
- Computational Drug Discovery Methods
- History and advancements in chemistry
- Various Chemistry Research Topics
- Machine Learning in Materials Science
- Mass Spectrometry Techniques and Applications
- Vibrio bacteria research studies
- Biomedical Text Mining and Ontologies
- Analytical chemistry methods development
- Analytical Chemistry and Chromatography
- Advanced Chemical Sensor Technologies
- Isotope Analysis in Ecology
- Single-cell and spatial transcriptomics
- Cystic Fibrosis Research Advances
- Forensic and Genetic Research
- Delphi Technique in Research
- Inorganic and Organometallic Chemistry
- Chemical Thermodynamics and Molecular Structure
- Per- and polyfluoroalkyl substances research
- Genetics, Bioinformatics, and Biomedical Research
- Water Quality Monitoring and Analysis
- Adsorption, diffusion, and thermodynamic properties of materials
National Institutes of Health
2015-2025
National Center for Biotechnology Information
2015-2025
United States National Library of Medicine
2022-2023
Gansu University of Traditional Chinese Medicine
2022
Affiliated Hospital of Jiangxi College of TCM
2022
ORCID
2021
Ada Technologies (United States)
2011
Colorado State University
2006-2010
Uniformed Services University of the Health Sciences
2001-2005
National Institute of Diabetes and Digestive and Kidney Diseases
1998-2004
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, launched in 2004 as component of the Molecular Libraries Roadmap Initiatives US National Institutes Health (NIH). For past 11 years, has grown to sizable system, serving resource scientific research community. consists three inter-linked databases, Substance, Compound BioAssay. The Substance database contains deposited by individual data contributors...
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well general public, with millions of unique users per month. In past two years, made substantial improvements. Data from more than 100 new data sources were added to PubChem, including chemical-literature links Thieme Chemistry, and physical property SpringerMaterials, patent World Intellectual Properties Organization (WIPO). PubChem's homepage individual record...
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a key chemical information resource for the biomedical research community. Substantial improvements were made in past few years. New data content was added, including spectral information, scientific articles mentioning chemicals, and food agricultural chemicals. released new web interfaces, such as Target View page, Sources Bioactivity dyad pages Patent page. also major update to Widgets introduced programmatic access interface, called PUG-View....
Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves wide range of use cases. In the past two years, number changes were made to PubChem. Data from more than 120 data sources was added Some major highlights include: integration Google Patents into PubChem, which greatly expanded coverage Patent collection; creation Cell Line and Taxonomy collections, provide quick easy access for given cell line taxon, respectively; update bioassay model....
PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological properties of small molecules hosted by the US National Institutes Health (NIH). BioAssay database currently contains test results more than 700 000 compounds. The goal to make this information easily accessible biomedical researchers. In work, we present set web servers facilitate and optimize utility activity within PubChem. These web-based services provide tools rapid data retrieval, integration comparison...
PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological activity data of small molecules and RNAi reagents. The mission to deliver free easy access all deposited data, provide intuitive analysis tools. BioAssay database currently contains 500 000 descriptions assay protocols, covering 5000 protein targets, 30 gene targets providing over 130 million bioactivity outcomes. PubChem's bioassay are integrated into the NCBI Entrez information retrieval system, thus making...
PubChem's BioAssay database (https://pubchem.ncbi.nlm.nih.gov) has served as a public repository for small-molecule and RNAi screening data since 2004 providing open access of its content to the community. PubChem accepts submission from worldwide researchers at academia, industry government agencies. also collaborates with other chemical biology stakeholders exchange. With over decade's development effort, it becomes an important information resource supporting drug discovery research. To...
The PubChem BioAssay database (http://pubchem.ncbi.nlm.nih.gov) is a public repository for biological activities of small molecules and interfering RNAs (siRNAs) hosted by the US National Institutes Health (NIH). It archives experimental descriptions assays test results makes information freely accessible to public. A data entry includes an assay description, summary detailed results. Each record linked molecular target, whenever possible, cross-referenced other Center Biotechnology...
PubChem's BioAssay database (http://pubchem.ncbi.nlm.nih.gov) is a public repository for archiving biological tests of small molecules generated through high-throughput screening experiments, medicinal chemistry studies, chemical biology research and drug discovery programs. In addition, the contains data from RNA interference aimed at identifying critical genes responsible process or disease condition. The mission PubChem to serve community by providing free easy access all deposited data....
Abstract Background The NORMAN Association ( https://www.norman-network.com/ ) initiated the Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/ in 2015, following collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange information chemicals that are expected to occur environment, along with accompanying expert knowledge and references, has become a valuable base for “suspect screening” lists....
Per- and polyfluoroalkyl substances (PFAS) are of high concern, with calls to regulate them as a class. In 2021, the Organisation for Economic Co-operation Development (OECD) revised definition PFAS include any chemical containing at least one saturated CF2 or CF3 moiety. The consequence is that largest open collections, PubChem, 116 million compounds, now contains over 7 under this definition. These numbers several orders magnitude higher than previously established lists (typically...
Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a large and highly-integrated public chemical database resource at NIH. In the past two years, significant updates were made to PubChem. With additions from over 130 new sources, contains >1000 data 119 million compounds, 322 substances 295 bioactivities. New interfaces, such as consolidated literature panel patent knowledge panel, developed. The combines all references about compound into single list, allowing users easily find,...
Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging nontarget high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds of millions chemicals, yet many are not relevant. This article details an extensive collaborative, open science effort to provide dynamic collection environmental, metabolomics, research, along with supporting information about their relevance assist...
PubChem is an open repository for small molecules and their experimental biological activity. integrates provides search, retrieval, visualization, analysis, programmatic access tools in effort to maximize the utility of contributed information. There are many diverse chemical structures with similar efficacies against targets available that difficult interrelate using traditional 2-D similarity methods. A new layer called PubChem3D added assist this analysis.PubChem generates a 3-D...
Abstract Compound (or chemical) databases are an invaluable resource for many scientific disciplines. Exposomics researchers need to find and identify relevant chemicals that cover the entirety of potential (chemical other) exposures over entire lifetimes. This daunting task, with 100 million in largest chemical databases, coupled broadly acknowledged knowledge gaps these resources, leaves faced too much—yet not enough—information at same time perform comprehensive exposomics research....
Cystic fibrosis (CF) is a fatal, autosomal, recessive genetic disease that characterized by profound lung inflammation. The inflammatory process believed to be caused massive overproduction of the proinflammatory protein IL-8, and high levels IL-8 in CF are therefore central mechanism behind pathophysiology. We show here digitoxin, at sub nM concentrations, can suppress hypersecretion from cultured epithelial cells. Certain other cardiac glycosides also active but with much less potency....
PubChem is a chemical data repository that provides comprehensive information on various entities. It contains wealth of from hundreds sources. Programmatic access to this large amount researchers with new opportunities for data-intensive research. several programmatic routes. One these PUG-View, which Representational State Transfer (REST)-style web service interface specialized accessing annotation contained in PubChem. The present paper describes aspects including the scope accessible...
The diversity of hundreds thousands potential organic pollutants and the lack (publicly available) information about many them is a huge challenge for environmental sciences, engineering, regulation. Suspect screening based on high-resolution liquid chromatography-mass spectrometry (LC-HRMS) has enormous to help characterize presence these chemicals in our environment, enabling detection known newly emerging pollutants, as well their transformation products (TPs). Here, suspect list creation...
Abstract As the occurrence of human diseases and conditions increase, questions continue to arise about their linkages chemical exposure, especially for per-and polyfluoroalkyl substances (PFAS). Currently, many chemicals concern have limited experimental information available use in analytical assessments. Here, we aim increase this knowledge by providing scientific community with multidimensional characteristics 175 PFAS resulting 281 ion types. Using a platform coupling reversed-phase...
As our health is affected by the xenobiotic chemicals we are exposed to, it important to rapidly assess these molecules both in environment and bodies. Targeted analytical methods coupling either gas or liquid chromatography with mass spectrometry (GC-MS LC-MS) commonly utilized current exposure assessments. While accepted as gold standard for analyses, they often require multiple sample preparation steps more than 30 minutes per sample. This throughput limitation a critical gap assessments...
Cystic fibrosis (CF) is the most common, lethal autosomal recessive disease affecting children in United States and Europe. Extensive work being performed to develop both gene drug therapies. The principal mutation causing CF CFTR ([ΔF508]CFTR). This causes mutant protein traffic poorly plasma membrane, degrades chloride channel activity. CPX, a candidate for CF, binds corrects trafficking deficit. CPX also activates airways are phenotypically inundated by inflammatory signals, primarily...
d-Arabinofurans, attached to either a galactofuran or lipomannan, are the primary constituents of mycobacterial cell wall, forming unique arabinogalactan (AG) and lipoarabinomannan (LAM), respectively. Emerging data indicate that arabinans AG LAM distinguished by virtue additional presence linear termini in LAM, which entails some unknown feature EmbC protein for proper synthesis. In common with two paralogous EmbA EmbB proteins functionally implicated arabinosylation AG, is predicted carry...
Abstract Nonulosonic acids or non-2-ulosonic (NulOs) are an ancient family of 2-ketoaldonic (α-ketoaldonic acids) with a 9-carbon backbone. In nature, these monosaccharides occur either in 3-deoxy form (referred to as “sialic acids”) 3,9-dideoxy “sialic-acid-like” form. The former sialic most common the deuterostome lineage, including vertebrates, and mimicked by some their pathogens. latter sialic-acid-like molecules found bacteria archaea. NulOs often prominently positioned at outermost...
The term "exposome" is defined as a comprehensive study of life-course environmental exposures and the associated biological responses. Humans are exposed to many different chemicals, which can pose major threat well-being humanity. Targeted or non-targeted mass spectrometry techniques widely used identify characterize various stressors when linking human health. However, identification remains challenging due huge chemical space applicable exposomics, combined with lack sufficient relevant...