Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts - van-der-Waals (vdW) radii and electronegativity - and how these relate to the driving forces behind chemical and physical transformations.
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http://dx.doi.org/10.1039/d0sc06675c | DOI Listing |
Biochim Biophys Acta Gen Subj
January 2025
Computational Structural Biology Laboratory, Department of Bioscience and Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India; Bioinformatics Centre, Department of Bioscience and Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India. Electronic address:
Conformational switching in RNA binding proteins (RBPs) are crucial for regulation of RNA processing and transport. Dysregulation or mutations in RBPs and broad RNA processing abnormalities are related to many human diseases including neurodegenerative disorders. Here, we review the role of protein-RNA conformational switches in RBP-RNA complexes.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Departamento de Química y Biología, Facultad de Ciencias Naturales, Universidad de Atacama, Av. Copayapu 485, Copiapó 1530000, Chile.
Fukui functions are related to electron densities, and their interpretation permits the determination of reactivity of atomic centres. However, negative values cannot be interpreted by an "electron density based" model and represent a phenomenon that has been little investigated and understood. Previous works in the literature suggest that they are related to nodes in the wave function.
View Article and Find Full Text PDFInt J Mol Sci
December 2024
School of Biological Sciences, Nanyang Technological University, Singapore 637551, Singapore.
Host defense antimicrobial peptides (AMPs) are promising lead molecules with which to develop antibiotics against drug-resistant bacterial pathogens. Thanatin, an inducible antimicrobial peptide involved in the host defense of insects, is gaining considerable attention in the generation of novel classes of antibiotics. Thanatin or thanatin-based analog peptides are extremely potent in killing bacterial pathogens in the Enterobacteriaceae family, including drug-resistant strains of and .
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Chemistry Institute, Universidad Nacional Autónoma de México, Circuito Exterior S/N, Ciudad Universitaria, Ciudad de México 04510, Mexico.
In this work, we present the green synthesis of complex - derived from β-hidroxymethylidene indanones by ultrasound, which allowed for the obtaining of compounds in a shorter time and with good yields. These organotin complexes were then doped with cobalt porphine and incorporated into a poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) matrix to manufacture composite semiconductor films. The semiconductor films were characterized through atomic force microscopy, examining their topography, Knoop hardness (around 17 HK), and tensile strength, which varied from 5 × 10 to 7 × 10 Pa.
View Article and Find Full Text PDFPlants (Basel)
December 2024
Centro de Investigación en Biodiversidad y Conservación, Universidad Autónoma del Estado de Morelos, Av. Universidad No. 1001, Col. Chamilpa, Cuernavaca 62209, Morelos, Mexico.
The waste generated during metal mining activities contains mixtures of heavy metals (HM) that are not biodegradable and can accumulate in the surrounding biota, increasing risk to human and environmental health. Plant species with the capacity to grow and develop on mine tailings can be used as a model system in phytoremediation studies. (L.
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