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Photodissociation of the CH2Cl radical: A high-level ab initio study.
J Chem Phys
December 2024
Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006 Madrid, Spain.
Photodissociation of the CH2Cl radical is investigated by using high-level multireference configuration interaction ab initio methods, including the spin-orbit coupling. All possible fragmentation pathways, namely, CH2Cl + hν → CH2 + Cl, HCCl + H, and CCl + H2, have been analyzed. The potential-energy curves of the ground and several excited electronic states along the corresponding dissociating bond distance of each pathway have been calculated.
View Article and Find Full Text PDFPhotochemical and Collision-Induced Cross-Linking of Lys, Arg, and His to Nitrile Imines in Peptide Conjugate Ions in the Gas Phase.
J Am Soc Mass Spectrom
December 2024
Department of Chemistry, Bagley Hall, Box 351700, University of Washington, Seattle, Washington 98195-1700, United States.
We report a study of internal covalent cross-linking with photolytically generated diarylnitrile imines of N-terminal arginine, lysine, and histidine residues in peptide conjugates. Conjugates in which a 4-(2-phenyltetrazol-5-yl)benzoyl group was attached to C-terminal lysine, that we call RAAA--K, KAAA--K, and HAAA--K, were ionized by electrospray and subjected to UV photodissociation (UVPD) at 213 nm. UVPD triggered loss of N and proceeded by covalent cross-linking to nitrile imine intermediates that involved the side chains of N-terminal arginine, lysine, and histidine, as well as the peptide amide groups.
View Article and Find Full Text PDFUnveiling ultraviolet photodissociation dynamics of SiO from a laser-ablated supersonic beam with time-sliced ion velocity imaging.
Phys Chem Chem Phys
December 2024
Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Centre of Chemistry for Energy Materials (iChEM), Fudan University, Shanghai, 200438, China.
SiO is a widespread molecule found in interstellar space, and its dissociation requires a substantial input of energy due to its high bond energy of 8.34 eV. The present study initially demonstrated across a broad range of ultraviolet (UV) wavelengths (243-288 nm) the one-photon and two-photon dissociation of SiO molecules, which were generated from the laser ablation of a Si rod colliding with an oxygen molecular beam.
View Article and Find Full Text PDFSequencing the monoclonal antibody variable regions using multiple charge integration middle-down strategy and ultraviolet photodissociation.
Anal Chim Acta
January 2025
CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China; University of Chinese Academy of Sciences, Beijing, 100049, China. Electronic address:
Background: Therapeutic monoclonal antibodies (mAbs) have become essential biopharmaceuticals for clinical targeted therapies due to their high specificity, affinity and low side effects. The specificity and affinity of mAb to targeting antigen are mainly dependent on the three complementarity determining regions (CDRs) with high variations in amino acid sequences. Therefore, mAb CDR sequencing is crucial for the characterization of therapeutic mAbs.
View Article and Find Full Text PDFTime-Resolved Probing of the Iodobenzene C-Band Using XUV-Induced Electron Transfer Dynamics.
ACS Phys Chem Au
November 2024
Chemistry Research Laboratory, Department of Chemistry, University of Oxford, Oxford OX1 3TA, United Kingdom.
Time-resolved extreme ultraviolet spectroscopy was used to investigate photodissociation within the iodobenzene C-band. The carbon-iodine bond of iodobenzene was photolyzed at 200 nm, and the ensuing dynamics were probed at 10.3 nm (120 eV) over a 4 ps range.
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