AI Article Synopsis
Article Abstract
Shape complementarity is a biological craft for precisely binding substrates at protein-protein interfaces. An analogy to such a function can be drawn conceptually for crystalline porous solids; yet the manifested entities are rare in reticular chemistry. The bottleneck-shaped pores carved out of a metal-organic framework, Zn(MIBA) (aka. MAF-stu-13), can perfectly accommodate benzene molecules. Remarkably, its framework adapts to the optimal guest binding-the enhanced host-guest interactions in the neck in turn minimize the guest-guest repulsion in the pore to the extent it turns into attraction-as demonstrated by the combined X-ray structural and DFT computational studies. This adaptive material can be used for liquid-phase production of ultrahigh-purity (≥99 %) cyclohexane, achieving a balance between uptake capacity and separation selectivity and surpassing the performances of other porous and nonporous crystals reported recently (e.g. product purity 99.4 % vs. 97.5 % to date).
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/anie.202109964 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Identification of Potential Selective PAK4 Inhibitors Through Shape and Protein Conformation Ensemble Screening and Electrostatic-Surface-Matching Optimization.
Curr Issues Mol Biol
January 2025
College of Pharmacy, Chongqing Medical University, Chongqing 400016, China.
P21-activated kinase 4 (PAK4) plays a crucial role in the proliferation and metastasis of various cancers. However, developing selective PAK4 inhibitors remains challenging due to the high homology within the PAK family. Therefore, developing highly selective PAK4 inhibitors is critical to overcoming the limitations of existing inhibitors.
View Article and Find Full Text PDFA twofold perspective on the quality of research publications: The use of ICTs and research activity models.
PLoS One
January 2025
Department of Structural and Molecular Biology, University College London, London, United Kingdom.
Previous studies have highlighted the inherent subjectivity, complexity, and challenges associated with research quality leading to fragmented findings. We identified determinants of research publication quality in terms of research activities and the use of information and communication technologies by employing an interdisciplinary approach. We conducted web-based surveys among academic scientists and applied machine learning techniques to model behaviors during and after the COVID-19 pandemic.
View Article and Find Full Text PDFChanging or validating physician opioid prescribing behaviors through audit and feedback and academic detailing interventions in primary care.
Implement Res Pract
January 2025
Institute for Health System Solutions and Virtual Care, Women's College Research and Innovation Institute, Women's College Hospital, Toronto, ON, Canada.
Background: In Ontario, Canada, province-wide initiatives supporting safer opioid prescribing in primary care include voluntary audit and feedback reports and academic detailing. In this process evaluation, we aimed to determine the fidelity of delivery and receipt of the interventions, the observed change strategies used by physicians, potential mechanisms of action, and how complementary the initiatives can be to each other.
Method: Semi-structured interviews were conducted with academic detailers and with physicians who received both interventions.
Quantifying conformational changes in the TCR:pMHC-I binding interface.
Front Immunol
December 2024
Koohy Lab, Medical Research Council Translational Immune Discovery Unit (MRC TIDU), Weatherall Institute of Molecular Medicine (WIMM), Radcliffe Department of Medicine, University of Oxford, Oxford, United Kingdom.
Background: T cells form one of the key pillars of adaptive immunity. Using their surface bound T cell antigen receptors (TCRs), these cells screen millions of antigens presented by major histocompatibility complex (MHC) or MHC-like molecules. In other protein families, the dynamics of protein-protein interactions have important implications for protein function.
View Article and Find Full Text PDFMolecular features of the serological IgG repertoire elicited by egg-based, cell-based, or recombinant haemagglutinin-based seasonal influenza vaccines: a comparative, prospective, observational cohort study.
Lancet Microbe
December 2024
Department of Molecular Biosciences, The University of Texas at Austin, Austin, TX, USA; Department of Chemical Engineering, The University of Texas at Austin, Austin, TX, USA; Department of Biomedical Engineering, The University of Texas at Austin, Austin, TX, USA. Electronic address:
Background: Egg-based inactivated quadrivalent seasonal influenza vaccine (eIIV4), cell culture-based inactivated quadrivalent seasonal influenza vaccine (ccIIV4), and recombinant haemagglutinin (HA)-based quadrivalent seasonal influenza vaccine (RIV4) have been licensed for use in the USA. In this study, we used antigen-specific serum proteomics analysis to assess how the molecular composition and qualities of the serological antibody repertoires differ after seasonal influenza immunisation by each of the three vaccines and how different vaccination platforms affect the HA binding affinity and breadth of the serum antibodies that comprise the polyclonal response.
Methods: In this comparative, prospective, observational cohort study, we included female US health-care personnel (mean age 47·6 years [SD 8]) who received a single dose of RIV4, eIIV4, or ccIIV4 during the 2018-19 influenza season at Baylor Scott & White Health (Temple, TX, USA).
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!