Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis.
Sign Up to like & getrecommendations! Published in 2021 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.1c00119
Abstract: ConspectusThe incorporation of data science is revolutionizing organic chemistry. It is becoming increasingly possible to predict reaction outcomes with accuracy, computationally plan new retrosynthetic routes to complex molecules, and design molecules with sophisticated functions. Critical… read more here.
Keywords: chemistry; throughput experimentation; reaction; synthesis ... See more keywords
High-Throughput Experimentation, Theoretical Modeling, and Human Intuition: Lessons Learned in Metal–Organic-Framework-Supported Catalyst Design
Sign Up to like & getrecommendations! Published in 2023 at "ACS Central Science"
DOI: 10.1021/acscentsci.2c01422
Abstract: We have screened an array of 23 metals deposited onto the metal–organic framework (MOF) NU-1000 for propyne dimerization to hexadienes. By a first-of-its-kind study utilizing data-driven algorithms and high-throughput experimentation (HTE) in MOF catalysis, yields… read more here.
Keywords: organic framework; high throughput; throughput experimentation; metal organic ... See more keywords
Aldol Reactions of Biorenewable Triacetic Acid Lactone Precursor Evaluated Using Desorption Electrospray Ionization Mass Spectrometry High-Throughput Experimentation and Validated by Continuous Flow Synthesis.
Sign Up to like & getrecommendations! Published in 2020 at "ACS combinatorial science"
DOI: 10.1021/acscombsci.0c00119
Abstract: Desorption electrospray ionization-mass spectrometry (DESI-MS) was used as a high-throughput experimentation (HTE) tool to rapidly identify derivatives of the biobased platform molecule triacetic acid lactone (TAL). TAL is a platform molecule capable of conversion to… read more here.
Keywords: desorption electrospray; mass spectrometry; throughput experimentation; ionization mass ... See more keywords
ChemBeads-Enabled Photoredox High-Throughput Experimentation Platform to Improve C(sp2)-C(sp3) Decarboxylative Couplings.
Sign Up to like & getrecommendations! Published in 2023 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.2c00538
Abstract: Enthusiasm surrounding nickel/photoredox C(sp2)-C(sp3) cross-couplings is very high; however, these methods are sometimes challenged by complex drug-like substrates in discovery chemistry. In our hands this has been especially true of the decarboxylative coupling, which has… read more here.
Keywords: throughput experimentation; high throughput; chemistry; sp2 sp3 ... See more keywords
Diversifying Amino Acids and Peptides via Deaminative Reductive Cross-Couplings Leveraging High-Throughput Experimentation.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c11451
Abstract: A deaminative reductive coupling of amino acid pyridinium salts with aryl bromides has been developed to enable efficient synthesis of noncanonical amino acids and diversification of peptides. This method transforms natural, commercially available lysine, ornithine,… read more here.
Keywords: amino acids; deaminative reductive; throughput experimentation; high throughput ... See more keywords
Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis† †Electronic supplementary information (ESI) available. See DOI: 10.1039/d0sc02594a
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc02594a
Abstract: Combination of high-throughput experimentation, surface organometallic chemistry and data analysis helps to extract key structural parameters that facilitate olefin metathesis. read more here.
Keywords: data analysis; surface organometallic; chemistry; throughput experimentation ... See more keywords
An Integrated High Throughput Experimentation/Predictive QSAR Modeling Approach to ansa-Zirconocene Catalysts for Isotactic Polypropylene
Sign Up to like & getrecommendations! Published in 2020 at "Polymers"
DOI: 10.3390/polym12051005
Abstract: Compared to heterogenous Ziegler–Natta systems (ZNS), ansa-metallocene catalysts for the industrial production of isotactic polypropylene feature a higher cost-to-performance balance. In particular, the C2-symmetric bis(indenyl) ansa-zirconocenes disclosed in the 1990s are complex to prepare, less… read more here.
Keywords: zirconocene catalysts; isotactic polypropylene; throughput experimentation; high throughput ... See more keywords