Intramolecular vibrational energy redistribution (IVR) has a profound impact on dynamic processes. We have studied two types of IVR processes, restricted and dissipative, and ultrafast dynamics of the S1 state of 2,4-difluoroanisole using time-resolved photoelectron spectroscopy and time-of-flight mass spectroscopy. The restricted IVR occurs in the intermediate regime of 219 cm-1 vibrational level, and the dissipative IVR occurs in the statistical regime of 1200 cm-1. The lifetimes of IVR processes are measured to be 90 and 11 ps, respectively, depending on the internal energies of the S1 state and differ by a factor of eight. Similar subsequent dynamics were observed at two vibrational levels in the S1 state. The population undergoes IVR following the initial excitation and subsequently leaks into a triplet state, accompanied by intersystem crossing within ∼400 ps followed by a slower nonradiative relaxation of the triplet state on the nanosecond time scale. Furthermore, the values of 3s and 3px Rydberg states of 2,4-difluoroanisole were experimentally determined to be 5.02 and 6.28 eV.
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http://dx.doi.org/10.1063/5.0231264 | DOI Listing |
Womens Health (Lond)
January 2025
Department of Ethics Law and Humanities, Amsterdam UMC, Vrije Universiteit Amsterdam, Amsterdam, the Netherlands.
Background: Considering how gendered experiences play a role in the lives of patients with heart failure (HF) is critical in order to understand their experiences, optimise clinical care and reduce health inequalities.
Objectives: The aim of our study was to review how gender is being studied in qualitative research in HF, specifically to (1) analyse how gender is conceptualised and applied in qualitative HF research; and (2) identify methodological opportunities to better understand the gendered experiences of patients with HF.
Eligibility Criteria: We conducted a systematic search of literature, including qualitive or mixed-methods articles focussing on patients' perspectives in HF and using gender as a primary analytical factor, excluding articles published before 2000.
Introduction: Metabolic and bariatric surgery (MBS) is increasingly used for obesity and metabolic disease, with safety profiles showing it is among the safest major operations. The last 20 + years have noted significantly improved safety that has been accompanied by decreasing length of stay and select populations electing for outpatient surgery, leading to continued decreases in cost. Regardless, readmissions and complications still occur, requiring inpatient postoperative care (IP-POC).
View Article and Find Full Text PDFJ Mol Model
January 2025
School of Chemistry and Chemical Engineering, Xian Yang Normal University, Xian Yang, China.
Context: This study investigates the reaction mechanism of luteolin with selenium dioxide in ethanol. Through a detailed search for transition states and thermodynamic energy calculations, it was found that the reaction proceeds via two possible pathways, leading to the formation of products P1 and P2, respectively. A common feature of both pathways is that the first elementary step results in the formation of the intermediate INT1.
View Article and Find Full Text PDFEnviron Monit Assess
January 2025
Amity Institute of Biotechnology, Amity University, Noida, Uttar Pradesh, India.
In recent years, heightened concern has emerged regarding the pervasive presence of microplastics in the environment, particularly in aquatic ecosystems. This concern has prompted extensive scientific inquiry into microplastics' ecological and physiological implications, including threats to biodiversity. The robust adsorption capacity of microplastic surfaces facilitates their widespread distribution throughout aquatic ecosystems, acting also as carriers of organic pollutants.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
State Key Laboratory of Molecular Reaction Dynamics, CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Directly probing the heterogeneous conformations of intracellular proteins within their native cellular environment remains a significant challenge in mass spectrometry (MS). Here, we establish an in-cell MS and ultraviolet photodissociation (UVPD) strategy that directly ejects proteins from living cells into a mass spectrometer, followed by 193 nm UVPD for structural analysis. Applying this approach to calmodulin (CaM), we reveal that it adopts more extended conformations within living cells compared with purified samples , highlighting the unique influence of intracellular environments on protein folding.
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