In January 2003, the Royal Society of Chemistry launched Organic & Biomolecular Chemistry (OBC)--a journal promising to provide high quality research from all aspects of synthetic, physical and biomolecular organic chemistry. The journal was set to build upon the foundations laid down by its predecessor publications (J. Chem. Soc., Perkin Trans. 1 and J. Chem. Soc., Perkin Trans. 2) as well as complement the subject coverage already published in prestigious general chemistry journals such as Chemical Communications and Chemical Society Reviews. Nearly two years on, just how is the programme developing and what can the community expect to see from the Royal Society of Chemistry (RSC)?
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http://dx.doi.org/10.1039/b417566m | DOI Listing |
J Phys Chem C Nanomater Interfaces
January 2025
Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
Porous adsorbents are a promising class of materials for the direct air capture of CO (DAC). Practical implementation of adsorption-based DAC requires adsorbents that can be used for thousands of adsorption-desorption cycles without significant degradation. We examined the potential degradation of adsorbents by a mechanism that appears to have not been considered previously, namely, ozonolysis by trace levels of ozone from ambient air.
View Article and Find Full Text PDFACS Nano
January 2025
Graduate School for Integrative Sciences and Engineering Programme, National University of Singapore, Singapore119077, Singapore.
Machine-learned potentials (MLPs) have transformed the field of molecular simulations by scaling "quantum-accurate" potentials to linear time complexity. While they provide more accurate reproduction of physical properties as compared to empirical force fields, it is still computationally costly to generate their training data sets from ab initio calculations. Despite the emergence of foundational or general MLPs for organic molecules and dense materials, it is unexplored if one general MLP can be effectively developed for a wide variety of nanoporous metal-organic frameworks (MOFs) with different chemical moieties and geometric properties.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Applied Chemistry, Aligarh Muslim University, Aligarh, 202002, India.
A porous and flexible Zn-MOF was synthesized under solvothermal conditions by using the ligand 2,5-furandicarboxylic acid (2,5-FDA). This flexible Zn-MOF demonstrates a temperature-triggered breathing effect. At low temperature (100 K), we obtained the high-symmetry MOF denoted as with a unit cell volume of 1958 Å, characterized by triangular narrow pore (np) channels.
View Article and Find Full Text PDFChem Asian J
January 2025
Zunyi Medical University, School of Pharmacy, CHINA.
N-acyl/sulfonyl-α-phosphonated 1,2,3,4-tetrahydroiso-quinolines (THIQs) are highly important structural motifs in organic synthesis and drug discovery. However, the one-pot approach enabling direct difunctionalization of THIQs remains challenging. Herein we report a photomediated one-pot multicomponent cascade reaction to access N-acyl/sulfonyl-α-phosphonated THIQs via twice acyl/sulfonyl iminium.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
IBiTech - BioMMedA Group, Ghent University, Corneel Heymanslaan 10, Entrance 98, 9000 Gent, Belgium.
Molecular oxygen (O) is essential for life, and continuous effort has been made to understand its pathways in cellular respiration with all-atom (AA) molecular dynamics (MD) simulations of, e.g., membrane permeation or binding to proteins.
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