The immunolatex was prepared by covalent coupling. FTIR technology combined with substractive spectroscopy, deconvolution, derivation and curve-fitting methods were used to study the structure of the antibody protein on the immunolatex. The result demonstrates that the alpha-helix strcture of antibody increases with the increase in the pH value and the concentration of latex. So it is concluded that covalent coupling has a great impact on the secondary structure of antibody protein.
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Molecules
March 2025
School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia.
The electronic structures of the first- and second-row homonuclear diatomics, XeF, and the weakly bound dimers of nitric oxide and nitrogen dioxide molecules in their ground states are discussed in terms of molecular orbital (MO) theory and, where possible, valence bond theories. The current work is extended and supported by restricted and unrestricted Hartree-Fock (RHF and UHF) self-consistent field (SCF), complete active space SCF (CASSCF), multi-reference configuration interaction (MRCI), coupled cluster CCSD(T), and unrestricted Kohn-Sham (UKS) density functional calculations using a polarized triple-zeta basis. The dicarbon (C) molecule is especially poorly described by RHF theory, and it is argued that the current MO theories taught in most undergraduate courses should be extended in recognition of the fact that the molecule requires at least a two-configuration treatment.
View Article and Find Full Text PDFMolecules
February 2025
Interfaculty Institute of Biochemistry, University of Tübingen, 72076 Tübingen, Germany.
SNAP-tag and Halo-tag have been employed to achieve targeted RNA editing by directing the deaminase domain of human ADAR to specific sites in the transcriptome. This targeting is facilitated by short guide RNAs (gRNAs) complementary to the target transcript, which are chemically modified with benzylguanine or chloroalkane moieties to enable covalent binding to the respective self-labeling enzymes. However, broad application of this approach has been limited by challenges such as low scalability, the requirement for specialized chemical expertise and equipment, and labor-intensive protocols.
View Article and Find Full Text PDFJ Am Chem Soc
March 2025
CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Surface-catalyzed polymerization is crucial in both chemical science and industrial manufacturing, yet achieving regioselective radical polymerization on the surface remains challenging. Here, we demonstrate the regioselective Ullmann polymerization of nonsymmetrical 2,8-dibromoquinoline (DBQ) on an Au(111) surface. By combining scanning tunneling microscopy, density functional theory calculations, and kinetic modeling, we reveal the regioselectivity and its evolution with surface temperature at the molecular level.
View Article and Find Full Text PDFJ Comput Chem
March 2025
Chemical Sciences and Technology Division, CSIR- National Institute for Interdisciplinary, Science and Technology, Thiruvananthapuram, India.
Ladderenes, unique polymers composed of fused cyclobutane rings, exhibit promising properties for energy storage applications, including reversible redox behavior and structural tunability. This density functional theory (DFT) study investigates the formation of ladderenes via gold(I)-catalyzed alkyne-alkene coupling reactions. Our calculations reveal a step-wise chain propagation mechanism where the alkene product of each step reacts with a ligand-gold-alkyne complex, leading to the sequential addition of cyclobutene units.
View Article and Find Full Text PDFChembiochem
March 2025
National Institute of Genetic Engineering and Biotechnology, Bioprocess Engineering, Tehran, 0098, Tehran, IRAN (ISLAMIC REPUBLIC OF).
Protein modification/immobilization has been introduced as a large toolbox for creating a myriad of engineered proteins with profound implications for various scientific and industrial applications. Proteins immobilization techniques are generally performed through protein fixation in/to heterogeneous materials or via inter cross-linking of protein molecules, enabling the development of biocatalysts, biosensors, and drug delivery systems. On the other hand, chemical modification of proteins offers tailored changes in their functionality, enhances protein performance, extends their shelf life, and enables their specific binding interactions.
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