We demonstrate that the conformation, packing mode, and blue fluorescence of a soft piezofluorochromic compound can be preserved by structurally fixing it into a solid calcium metal-organic framework (Ca-MOF, LIFM-40), which can survive pressures up to 8 MPa. DFT calculations have been combined with experimental results to indicate that the ligands adopting a specific conformation and packing without π···π interactions are the reasons for its rigidified blue emission.
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http://dx.doi.org/10.1021/acs.inorgchem.6b00429 | DOI Listing |
Connections between the mechanical properties of DNA and biological functions have been speculative due to the lack of methods to measure or predict DNA mechanics at scale. Recently, a proxy for DNA mechanics, cyclizability, was measured by loop-seq and enabled genome-scale investigation of DNA mechanics. Here, we use this dataset to build a computational model predicting bias-corrected intrinsic cyclizability, with near-perfect accuracy, solely based on DNA sequence.
View Article and Find Full Text PDFJ Org Chem
January 2025
Laboratory of Bioorganic Chemistry and Chemical Biology, Center for Nanotechnology, Heisenbergstrasse 11, 48149 Münster, Germany.
Xanthine nucleosides play a significant role in the expansion of the four-letter genetic code. Herein, 7-functionalized 8-aza-7-deazaxanthine ribo- and 2'-deoxyribonucleosides are described. 2-Amino-6-alkoxy nucleosides were converted to halogenated 8-aza-7-deazaxanthine nucleosides by deamination followed by hydroxy/alkoxy substitution.
View Article and Find Full Text PDFJ Pept Sci
February 2025
Plant Biotechnology Division, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow, UP, India.
Interactions between aromatic side chains of amino acids stabilize the fold and assembly of short peptides. The aromatic π…π and C-H…π interactions have been widely explored in the design of short peptides with specific folding and aggregation patterns. In the present study, we investigated the effect of homologated phenylalanine side chains on the conformation and assembly of peptide helices through X-ray crystallographic structure determination and analysis of five pentapeptides.
View Article and Find Full Text PDFBiochem Biophys Res Commun
January 2025
Graduate School of Chemical Sciences and Engineering, Hokkaido University, N13, W8, Sapporo, 060-8628, Japan; Department of Chemistry, Faculty of Science, Hokkaido University, N8, W5, Sapporo, 060-0810, Japan. Electronic address:
Bicelles, an artificial disk-shaped lipid bilayer, are commonly used for the structural and functional characterization of membrane-bound proteins in an environment similar to that in intracellular membranes. Because the dynamics of the lipids that constitute bicelles exert a significant impact on the structure and function of the inserted proteins, we investigated the mobility of lipid molecules in bicelles composed of DMPC (14:0 PC) and DHPC (06:0 PC) using solution NMR and MD calculations. C R relaxation experiments for the acyl groups demonstrated that increasing bicelle sizes limit the rotational diffusion of acyl chain H-C bonds in DMPC.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
Semenov Federal Research Center for Chemical Physics, Kosygina, 4, 119991 Moscow, Russia.
The ability of particles to transform absorbed energy into translational movements brings peculiar order into nonequilibrium matter. Connected together into a chain, these particles collectively behave completely differently from well-known equilibrium polymers. Examples of such systems vary from nanoscale to macroscopic objects.
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