Listar por tema "molecules"
Mostrando ítems 1-10 de 10
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A Tale of Reactive Oxygen Species on the Ag3PO4(110) Surface
American Chemical Society (2023-12-07)Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we ... -
Benefits of Ion Mobility Separation in GC-APCI-HRMS Screening: From the Construction of a CCS Library to the Application to Real-World Samples
American Chemical Society (2022-06-28)The performance of gas chromatography (GC) combined with the improved identification properties of ion mobility separation coupled to high-resolution mass spectrometry (IMS-HRMS) is presented as a promising approach for ... -
Bioactive Ag3PO4/Polypropylene Composites for Inactivation of SARS-CoV?2 and Other Important Public Health Pathogens
American Chemical Society (2021-09-21)The current unprecedented coronavirus pandemic (COVID-19) is increasingly demanding advanced materials and new technologies to protect us and inactivate SARS-CoV-2. In this research work, we report the manufacture of Ag3PO4 ... -
Charged Biological Membranes Repel Large Neutral Molecules by Surface Dielectrophoresis and Counterion Pressure
American Chemical Society (2024-01-31)Macromolecular crowding is the usual condition of cells. The implications of the crowded cellular environment for protein stability and folding, protein–protein interactions, and intracellular transport drive a growing ... -
Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach
American Chemical Society (2018-08)Very recently, we have analyzed the nature of chemical interactions in a wide variety of molecules and materials using the chemical pressure (CP) approach. We have shown how this newly developed formalism can be used to ... -
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer’s Disease
American Chemical Society (2023-01-17)Alzheimer’s disease represents one of the most ambitious challenges for biomedical sciences due to the growing number of cases worldwide in the elderly population and the lack of efficient treatments. One of the recent ... -
“Lock and Key” and “Induced-Fit” Host–Guest Models in Two Digold(I)-Based Metallotweezers
American Chemical Society (2022-04-01)Two different metallotweezers, each with two pyrene–imidazolylidene–gold(I) arms, were used as hosts for a series of planar aromatic guests. The metallotweezer with a dibenzoacridinebis(alkynyl) spacer (1) orients the two ... -
Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box Helicases
American Chemical Society (2023-03-29)The spliceosome machinery catalyzes precursor messenger (pre-m)RNA splicing. In each cycle, the spliceosome experiences massive compositional and conformational remodeling fueled by the concerted action of specific ... -
PEG Equilibrium Partitioning in the α-Hemolysin Channel: Neutral Polymer Interaction with Channel Charges
American Chemical Society (2021-02-08)We study the interaction of neutral polyethylene glycol (PEG) molecules of different molecular weights (MWs) with the charged residues of the α-hemolysin channel secreted by Staphylococcus aureus. Previously reported ... -
Prediction of Retention Time and Collision Cross Section (CCSH+, CCSH–, and CCSNa+) of Emerging Contaminants Using Multiple Adaptive Regression Splines
American Chemical Society (2022-10-24)Ultra-high performance liquid chromatography coupled to ion mobility separation and high-resolution mass spectrometry instruments have proven very valuable for screening of emerging contaminants in the aquatic environment. ...