We present experimental and theoretical evidence for an excited-state deactivation mechanism specific to hydrogen-bonded aromatic dimers, which may account, in part, for the photostability of the Watson-Crick base pairs in DNA. Femtosecond time-resolved mass spectroscopy of 2-aminopyridine clusters reveals an excited-state lifetime of 65 +/- 10 picoseconds for the near-planar hydrogen-bonded dimer, which is significantly shorter than the lifetime of either the monomer or the 3- and 4-membered nonplanar clusters. Ab initio calculations of reaction pathways and potential-energy profiles identify the mechanism of the enhanced excited-state decay of the dimer: Conical intersections connect the locally excited 1pipi* state and the electronic ground state with a 1pipi* charge-transfer state that is strongly stabilized by the transfer of a proton.
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http://dx.doi.org/10.1126/science.1104038 | DOI Listing |
J Phys Chem A
January 2025
Laboratory of Advanced Computation and Theory for Materials and Chemistry, Department of Chemistry, National Institute of Technology Warangal (NITW), Warangal, Telangana 506004, India.
We report nonconjugated monocyclic dienes (nCMDs) as unique photoswitchable molecules that hold promise for harvesting substantial solar energy and storing it for extended durations. Herein, cyclohepta-1,4-diene and its N-heterocyclic analogue have been considered as prototypical models for investigating photoswitching behavior in nCMDs. Initially, the nonradiative deactivation pathway of nCMD from the low-lying excited state to the [2 + 2]-cycloadduct has been evaluated.
View Article and Find Full Text PDFComput Biol Med
January 2025
Department of Chemistry, Graduate University of Advanced Technology, Kerman, Iran.
Designing and employing enzyme inhibitors against viral enzymes is one of the innovative and efficient approaches to treating viral diseases. These inhibitors can disrupt the viral replication cycle by deactivating vital enzymes, thereby curbing the spread of viral infections by reducing their population. So far, inhibitors have been designed, validated, and introduced for these enzymes.
View Article and Find Full Text PDFJ Environ Sci Health B
January 2025
Faculty of Food Technology, University of Economics-Technology for Industries (UNETI), Hanoi, Vietnam.
Antibiotic residues have become serious health concerns due to the development of antibiotic-resistant bacteria. The treatment of antibiotic pollutants in wastewater is necessary for reducing the issue of antibiotic resistance. In this work, the metal oxide photocatalyst titanium dioxide (TiO) was evaluated for the removal of the tetracycline antibiotic (TC-A) and the deactivation of bacteria (E-B) from wastewater.
View Article and Find Full Text PDFNucleic Acids Res
January 2025
Beijing Key Laboratory for Bioengineering and Sensing Technology, University of Science and Technology Beijing, Beijing 100083, China.
The flexibility and programmability of CRISPR-Cas technology have made it one of the most popular tools for biomarker diagnostics and gene regulation. Especially, the CRISPR-Cas12 system has shown exceptional clinical diagnosis and gene editing capabilities. Here, we discovered that although the top loop of the 5' handle of guide RNA can undergo central splitting, deactivating CRISPR-Cas12a, the segments can dramatically restore CRISPR function through nucleic acid self-assembly or interactions with small molecules and aptamers.
View Article and Find Full Text PDFPlants (Basel)
January 2025
Key Laboratory of Crop Germplasm Resource of Zhejiang Province, Department of Agronomy, Zhejiang University, Hangzhou 310058, China.
Heat stress is one of the major concerns for wheat production worldwide. Morphological parameters such as germination, leaf area, shoot, and root growth are affected by heat stress, with affected physiological parameters including photosynthesis, respiration, and water relation. Heat stress also leads to the generation of reactive oxygen species that disrupt the membrane systems of thylakoids, chloroplasts, and the plasma membrane.
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