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Characterization by LC-MS/MS analysis of KLH vaccine conjugated with a tick antigen peptide.
Analyst
January 2025
Department of Proteomics, Mass Spectrometry Laboratory, Center for Genetic Engineering and Biotechnology, 31 Avenue, Cubanacan, Playa, Havana, Cuba.
Keyhole limpet haemocyanins (KLH1 and KLH2) from , are multi-subunit oxygen-carrying metalloproteins of approximately 3900 amino acids, that are widely used as carrier proteins in conjugate vaccines and in immunotherapy. KLHs and their derived conjugate vaccines are poorly characterized by LC-MS/MS due to their very stable supramolecular structures with megadalton molecular mass, and their resistance to efficient digestion with standard protocols. KLH1 and KLH2 proteins were conjugated to the conserved P0 peptide (pP0), derived from the P0 acidic ribosomal protein of sp.
View Article and Find Full Text PDFAb Initio Study of Electron Capture in Collisions of Protons with CO Molecules.
Molecules
December 2024
Departamento de Química, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain.
Ab initio calculations of cross sections for electron capture by protons in collisions with CO are carried out at energies between 100 eV/u and 50 keV/u, employing a semiclassical method within the Franck-Condon framework. The scattering wave function is expanded in a set of ab initio electronic wave functions of the HCO supermolecule. The calculation is performed on several trajectory orientations to obtain orientation-averaged total cross sections.
View Article and Find Full Text PDFAtomistic dynamics of elimination and substitution driven by entrance channel.
J Chem Phys
January 2025
Key Laboratory of Chemistry and Chemical Engineering on Heavy-Carbon Resources, School of Chemistry and Chemical Engineering, Yili Normal University, Yining 835000, People's Republic of China.
E2 elimination and SN2 substitution reactions are of central importance in preparative organic synthesis due to their stereospecificity. Herein, atomistic dynamics of a prototype reaction of ethyl chloride with hydroxide ion are uncovered that show strikingly distinct features from the case with fluoride anion. Chemical dynamics simulations reproduce the experimental reaction rate and reveal that the E2 proceeding through a direct elimination mechanism dominates over SN2 for the hydroxide ion reaction.
View Article and Find Full Text PDFBottom-up design of calcium channels from defined selectivity filter geometry.
bioRxiv
December 2024
Department of Biochemistry, University of Washington, Seattle, WA, USA.
Native ion channels play key roles in biological systems, and engineered versions are widely used as chemogenetic tools and in sensing devices. Protein design has been harnessed to generate pore-containing transmembrane proteins, but the capability to design ion selectivity based on the interactions between ions and selectivity filter residues, a crucial feature of native ion channels, has been constrained by the lack of methods to place the metal-coordinating residues with atomic-level precision. Here we describe a bottom-up RFdiffusion-based approach to construct Ca channels from defined selectivity filter residue geometries, and use this approach to design symmetric oligomeric channels with Ca selectivity filters having different coordination numbers and different geometries at the entrance of a wide pore buttressed by multiple transmembrane helices.
View Article and Find Full Text PDFEvidence linking cadmium and/or lead exposure to immunomodulatory effects in mammals based upon an adverse outcome pathways approach, and research perspectives.
Chemosphere
January 2025
Laboratoire Chrono-Environnement, UMR 6249, CNRS/Université de Franche-Comté, 16 route de Gray, 25000, Besançon, France.
For decades, studies have shown how exposure to non-essential trace metals such as lead (Pb) and cadmium (Cd) largely impact global wildlife. Ecoimmunotoxicology has emerged in the past two decades and focuses on the effects of pollutants on the immune system of free-ranging organisms. Adverse outcome pathways (AOPs) represent a conceptual approach to explore the mechanistic linkage between a molecular initiating event and adverse outcomes, potentially at all biological levels of organisation.
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