An automated method for graph‐based chemical space exploration and transition state finding
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27011
Abstract: Algorithms that automatically explore the chemical space have been limited to chemical systems with a low number of atoms due to expensive involved quantum calculations and the large amount of possible reaction pathways. The method… read more here.
Keywords: reaction; based chemical; graph; exploration ... See more keywords
Quantitative Spermidine Detection in Cosmetics using an Organic Transistor‐Based Chemical Sensor
Sign Up to like & getrecommendations! Published in 2024 at "ChemistryOpen"
DOI: 10.1002/open.202400098
Abstract: Abstract Spermidine is an essential biomarker related to antiaging. Although the detection of spermidine levels is in high demand in life science fields, easy‐to‐use analytical tools without sample purification have not yet been fully established.… read more here.
Keywords: detection; chemical; chemical sensor; spermidine ... See more keywords
Substrate-based chemical probes for Alzheimer’s γ-secretase
Sign Up to like & getrecommendations! Published in 2020 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-020-02565-w
Abstract: The membrane-embedded γ-secretase complex carries out hydrolysis within the lipid bilayer in proteolyzing nearly 100 different membrane protein substrates. Among these substrates, the amyloid precursor protein (APP) has been the most studied, as generation of… read more here.
Keywords: secretase; based chemical; substrate based; chemical probes ... See more keywords
Detection of aristolochic acids based on chemical derivatization and GC–MS/MS
Sign Up to like & getrecommendations! Published in 2025 at "Journal of the Iranian Chemical Society"
DOI: 10.1007/s13738-025-03197-w
Abstract: Aristolochic acids (AAs) are known as nephrotoxins found in Aristolochia and Asarum. This paper aims to establish a novel method for the determination of aristolochic acid I (AA-I) and aristolochic acid II (AA-II) in Chinese… read more here.
Keywords: detection aristolochic; aristolochic acids; based chemical; derivatization ... See more keywords
Theoretical study of the influence of surface effects on GaN-based chemical sensors
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.04.250
Abstract: Abstract This paper presents the results of the theoretical study of various factors affecting the charging mechanism and characteristics of the Ga2O3/GaN/AlGaN based ion sensitive field effect transistor (ISFET). The relaxed atomic coordinates of electrolytes… read more here.
Keywords: based chemical; theoretical study; gan based; layer ... See more keywords
Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Cell"
DOI: 10.1016/j.molcel.2017.09.012
Abstract: Summary Chemical libraries paired with phenotypic screens can now readily identify compounds with therapeutic potential. A central limitation to exploiting these compounds, however, has been in identifying their relevant cellular targets. Here, we present a… read more here.
Keywords: based chemical; chemical genetic; combined crispri; genetic screens ... See more keywords
Screening-Based Chemical Approaches to Unravel Stem Cell Biology
Sign Up to like & getrecommendations! Published in 2018 at "Stem Cell Reports"
DOI: 10.1016/j.stemcr.2018.11.012
Abstract: Cell-permeable compounds provide a convenient and efficient approach to manipulate biological processes. A number of compounds controlling stem cell self-renewal, survival, differentiation, and reprogramming have been identified through high-throughput/content screens. Using these powerful chemical tools,… read more here.
Keywords: based chemical; screening based; stem cell; biology ... See more keywords
Carbon Capture Utilization and Storage in Methanol Production Using a Dry Reforming-Based Chemical Looping Technology
Sign Up to like & getrecommendations! Published in 2022 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.2c00620
Abstract: This further investigates the concept of gas switching dry reforming (GSDR) that efficiently converts the two major greenhouse gases (CO2 and CH4) into a valuable product (syngas) for gas-to-liquid (GTL) syntheses. The proposed GSDR is… read more here.
Keywords: looping technology; dry reforming; based chemical; production ... See more keywords
Structure-based chemical ontology improves chemometric prediction of antibacterial essential oils
Sign Up to like & getrecommendations! Published in 2024 at "Scientific Reports"
DOI: 10.1038/s41598-024-65882-9
Abstract: Plants are valuable resources for drug discovery as they produce diverse bioactive compounds. However, the chemical diversity makes it difficult to predict the biological activity of plant extracts via conventional chemometric methods. In this research,… read more here.
Keywords: structure based; ontology; antibacterial essential; essential oils ... See more keywords
Integration of SuperCam based chemical imaging and clustering to correlate geochemistry and mineralogy in heterogeneous samples
Sign Up to like & getrecommendations! Published in 2025 at "Scientific Reports"
DOI: 10.1038/s41598-025-21770-4
Abstract: Peridotites are ultramafic rocks whose mineralogical diversity makes them suitable case studies for testing analytical methodologies. In this study, a peridotite sample from the Ronda massif (Málaga, Spain) was examined demonstrating a practical methodology for… read more here.
Keywords: spectroscopy; supercam based; geochemistry; mineralogy ... See more keywords
Regional feature extraction of various fishes based on chemical and microbial variable selection using machine learning
Sign Up to like & getrecommendations! Published in 2018 at "Analytical Methods"
DOI: 10.1039/c8ay00377g
Abstract: We introduce a method for extracting regional and habitat features of various fish species based on chemical and microbial correlations that incorporate integrated analysis and a variable selection approach. We characterized 24 fish species from… read more here.
Keywords: based chemical; machine learning; chemical microbial; using machine ... See more keywords