Examination of the scale properties of living organisms and the electronic configuration of crystalline structures suggests that related modeling may be used for both. This paper comments on individual and common properties of the two systems and draws a comparison between them. Both exhibit multiple 'scales' separated by complex or forbidden regions and a global 'overview' of their scale properties. We conclude that the analogy may provide a fruitful route toward extension of the modeling of both living organisms and electronic materials, by permitting bootstrapping cross-modeling between them.
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http://dx.doi.org/10.1016/j.biosystems.2013.03.002 | DOI Listing |
Nanotechnology
January 2025
Institute of Nano Science and Technology, Knowledge City, Sector 81, Mohali, 140306, INDIA.
This study investigates simple acetylenes substituted with phenylurea as a constant H-bonding unit (Alk-R) and varied hydrophobic units (R = H, Phenyl (Ph), Phenylacetylene (PA), Ph-NMe2) to understand self-assembly properties driven by synergistic non-covalent interactions. Our observations reveal hierarchical self-assembled fibrillar networks with luminescent needles, fibers, and flowers on nano- to micro-meter scales. Subtle changes in substituents led to significant differences: H, Ph, PA, and Ph-NMe2 produced needle-like crystals, dendritic nanofibers, microflakes, and no self-assembly, respectively.
View Article and Find Full Text PDFPLoS One
January 2025
Faculty of Life Sciences & Medicine, King's College London, London, United Kingdom.
Background: Fostering a strong professional identity (PI) enhances career fulfillment. In China, therapy education is undergoing development, integrating both Western and traditional health concepts, causing inconsistent PI among therapy students. To date, no validated tools exist to measure and monitor PI of Chinese therapy students.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Center for Sustainable Catalysis and Engineering, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
The local environment of the active site, such as the confinement of hydronium ions within zeolite pores, significantly influences catalytic turnover, similar to enzyme functionality. This study explores these effects in the hydrolysis of guaiacols─lignin-derived compounds─over zeolites in water. In addition to the interesting catechol products, this reaction is advantageous for study due to its bimolecular hydrolysis pathway, which involves a single energy barrier and no intermediates, simplifying kinetic studies and result interpretation.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States.
Hybrid quantum-classical computing algorithms offer significant potential for accelerating the calculation of the electronic structure of strongly correlated molecules. In this work, we present the first quantum simulation of conical intersections (CIs) in a biomolecule, cytosine, using a superconducting quantum computer. We apply the contracted quantum eigensolver (CQE)─with comparisons to conventional variational quantum deflation (VQD)─to compute the near-degenerate ground and excited states associated with the conical intersection, a key feature governing the photostability of DNA and RNA.
View Article and Find Full Text PDFDalton Trans
January 2025
College of Materials and New Energy, Chongqing University of Science and Technology, Chongqing, 401331, China.
Achieving multicolor emission is a fascinating goal that remains challenging for zero-dimensional (0D) hybrid halides. We successfully obtained a three-millimeter-scale 0D (MXDA)CdBr (MXDA = CHN) single crystal (SC) by the solvothermal method. It serves as an outstanding host for doping with various valence activators, such as Cu, Mn and Sb, and these doped single crystals emit blue (470 nm), yellow (580 nm) and red (618 nm) fluorescence, which accurately cover a large visible region and achieve efficient multicolor emission.
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