Electrostatic complexes containing a cationic conjugated oligoelectrolyte (COE) and fluorescein (FAM)-labeled single-stranded DNA (ssDNA) serve as the basis for identifying various bacteria. The approach involves the preparation of five COE/ssDNA(x)-FAM electrostatic complexes, which differ in the ssDNA composition and which provide different photoluminescence (PL) spectra as a result of different degrees of energy transfer efficiency from the COE to FAM. Changes in the PL spectra upon addition of the bacteria can be quantified, and the differential response from the five ssDNAs gives rise to a multicomponent array response that allows identification of the microorganism under investigation.
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http://dx.doi.org/10.1021/ja105747b | DOI Listing |
Phys Chem Chem Phys
January 2025
Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Ingeniería Química, Universidad San Francisco de Quito, Diego de Robles y Vía Interoceánica, Quito 17-1200-841, Ecuador.
A theoretical description of various [AeX] (Ae = Be-Ba, X = F-I) systems, some of which have been reported in the literature to bear an unusual quadruple bond between the metal and the halogen, is provided based on both (i) the localization of the Fermi hole and (ii) the topological analysis of the one-electron density. Insights into the bond order of various [AeX] systems are inferred on the basis of the number of electrons localized in the bond basin, the topology of the Fermi hole information computed along the bond axis, and the delocalization index. The results suggest that the [AeX] molecules present a bond with attributes closer to a classical dative bond than to a multiple one, being characterized by large stabilization due to the electrostatic interaction between the polarized metal and the halogen anion.
View Article and Find Full Text PDFCells
December 2024
Department of Herbal Pharmacology, College of Korean Medicine, Gachon University, 1342 Seongnamdae-ro, Sujeong-gu, Seongnam-si 13120, Republic of Korea.
The NLRP3 inflammasome, plays a critical role in the pathogenesis of rheumatoid arthritis (RA) by activating inflammatory cytokines such as IL1β and IL18. Targeting NLRP3 has emerged as a promising therapeutic strategy for RA. In this study, a multidisciplinary approach combining machine learning, quantitative structure-activity relationship (QSAR) modeling, structure-activity landscape index (SALI), docking, molecular dynamics (MD), and molecular mechanics Poisson-Boltzmann surface area MM/PBSA assays was employed to identify novel NLRP3 inhibitors.
View Article and Find Full Text PDFOrg Chem Front
December 2024
Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid Av. Complutense S/N 28040 Madrid Spain
Supramolecular chemistry of carbon-based materials provides a variety of chemical structures with potential applications in materials science and biomedicine. Here, we explore the supramolecular complexation of fullerenes C and C, highlighting the ability of molecular nanographene tweezers to capture these structures. The binding constant for the CNG-1⊃C complex was significantly higher than for CNG-1⊃C, showing a clear selectivity for the more π-extended C.
View Article and Find Full Text PDFNat Commun
January 2025
State Key Laboratory of Petroleum Molecular & Process Engineering, Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China.
Intensified host-guest electronic interplay within stable metal-organic cages (MOCs) presents great opportunities for applications in stimuli response and photocatalysis. Zr-MOCs represent a type of robust discrete hosts for such a design, but their host-guest chemistry in solution is hampered by the limited solubility. Here, by using pyridinium-derived cationic ligands with tetrakis(3,5-bis(trifluoromethyl)phenyl)borate (BAr) as solubilizing counteranions, we report the preparation of soluble Zr-MOCs of different shapes (1-4) that are otherwise inaccessible through a conventional method.
View Article and Find Full Text PDFNucleic Acids Res
January 2025
Institut de Mathématiques de Jussieu - Paris Rive Gauche (IMJ-PRG), UMR 7586, CNRS, Université Paris Diderot, 8, Pace Aurélie Nemours, 75013 Paris, France.
Accurate protein synthesis requires ribosomes to integrate signals from distant functional sites and execute complex dynamics. Despite advances in understanding ribosome structure and function, two key questions remain: how information is transmitted between these distant sites, and how ribosomal movements are synchronized? We recently highlighted the existence of ribosomal protein networks, likely evolved to participate in ribosome signaling. Here, we investigate the relationship between ribosomal protein networks and ribosome dynamics.
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