Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene
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DOI: 10.1002/cphc.201800413
Abstract: Abstract In a recent study [Angew. Chem. Int. Ed., 2014, 53, 9957–9960] a new concept of chiral separation has been suggested, which is based on functionalized, nanoporous sheets of graphene. In this follow‐up article we discuss… read more here.
Keywords: sieving computational; chiral separation; via molecular; separation ... See more keywords
High-performance organic pseudocapacitors via molecular contortion
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DOI: 10.1038/s41563-021-00954-z
Abstract: Pseudocapacitors harness unique charge-storage mechanisms to enable high-capacity, rapidly cycling devices. Here we describe an organic system composed of perylene diimide and hexaazatrinaphthylene exhibiting a specific capacitance of 689 F g−1 at a rate of 0.5 A g−1, stability… read more here.
Keywords: storage; via molecular; performance; molecular contortion ... See more keywords
Identification of potential benzoxazolinone as CYP1B1 inhibitors via molecular docking, dynamics, waterswap, and In vitro analysis
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DOI: 10.1039/d3nj01138k
Abstract: Overexpression of Cytochrome P450 1B1 in malignancies is accountable for the biotransformation-based inactivation of various chemotherapeutics such as docetaxel, paclitaxel, cisplatin, and tamoxifen. Additionally, it also plays a major role... read more here.
Keywords: inhibitors via; benzoxazolinone cyp1b1; identification potential; potential benzoxazolinone ... See more keywords