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
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
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
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
Tellurene based chemical sensor
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Chemistry A"
DOI: 10.1039/c9ta09429f
Abstract: Chemiresistive sensor devices using two-dimensional (2D) materials have been extensively studied. read more here.
Keywords: based chemical; tellurene based; sensor; chemical sensor ... See more keywords
Multifunctional activity-based chemical probes for sirtuins
Sign Up to like & getrecommendations! Published in 2023 at "RSC Advances"
DOI: 10.1039/d3ra02133e
Abstract: The sirtuin family of NAD+-dependent protein deacylases has gained significant attention during the last two decades, owing to their unique enzymatic activities as well as their critical roles in a broad array of cellular events.… read more here.
Keywords: based chemical; chemical probes; activity based; chemical ... See more keywords
Thiol-based chemical probes exhibit antiviral activity against SARS-CoV-2 via allosteric disulfide disruption in the spike glycoprotein
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2120419119
Abstract: Significance Some coronaviruses utilize angiotensin-converting enzyme 2 (ACE2) for entry into host cells. Although reducing agents, such as N-acetylcysteine, disrupt viral binding to ACE2 in general, these compounds are cytotoxic, have low potency, and because… read more here.
Keywords: based chemical; sars cov; thiol; thiol based ... See more keywords
Biomass-Based Chemical Looping Gasification: Overview and Recent Developments
Sign Up to like & getrecommendations! Published in 2021 at "Applied Sciences"
DOI: 10.3390/app11157069
Abstract: Biomass has emerged as one of the most promising renewable energy sources that can replace fossil fuels. Many researchers have carried out intensive research work on biomass gasification to evaluate its performance and feasibility to… read more here.
Keywords: biomass; looping gasification; chemical looping; based chemical ... See more keywords