The absorption spectra of exhaust gases (HO, CO, CO, NO, NO, and SO) and aerosol (soot and AlO) particles were modeled at different temperatures for the first time and suitable spectral ranges were determined for conducting laser remote sensing of the combustion products of jet engines. The calculations were conducted on the basis of experimental concentrations of the substances and the sizes of the aerosol particles. The temperature and geometric parameters of jet engine exhausts were also taken from the literature. The absorption spectra were obtained via the line-by-line method, making use of the spectral line parameters from the authors' own high-temperature databases (for NO and SO gases) and the HITEMP 2010 database, and taking into account atmospheric transmission. Finally, the theoretical absorption spectra of the exhaust gases were plotted at temperatures of 400, 700, and 1000 K, and the impact of aerosol particles on the total exhaust spectra was estimated in spectral ranges suitable for remote sensing applications.
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http://dx.doi.org/10.1364/AO.55.003814 | DOI Listing |
Nat Mater
January 2025
Leiden Institute of Chemistry, Leiden University, Leiden, The Netherlands.
Cathodic corrosion is an electrochemical phenomenon that etches metals at moderately negative potentials. Although cathodic corrosion probably occurs by forming a metal-containing anion, such intermediate species have not yet been observed. Here, aiming to resolve this long-standing debate, our work provides such evidence through X-ray absorption spectroscopy.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Instituto Tecnológico de Chascomús (CONICET-UNSAM), Av. Intendente Marino Km 8.2, CC 164, B7130IWA Chascomús, Argentina; Escuela de Bio y Nanotecnologías (UNSAM), Argentina. Electronic address:
β-carbolines (βCs) represent a large family of bioactive alkaloids, including norharmane and normelinonine F, known for their diverse pharmacological activities. The effects of these alkaloids may depend, among other factors, on their delivery, accumulation in different subcellular compartments, and interactions with biomacromolecules such as serum albumins. In this study, we investigated the pH dependence of the interactions between bovine serum albumin (BSA) and four βCs (norharmane, normelinonine F, and their corresponding N(9)-methyl derivatives) using UV-vis and fluorescence spectroscopy, combined with multivariate analysis and molecular docking.
View Article and Find Full Text PDFJ Fluoresc
January 2025
Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar, Andhra Pradesh, 522510, India.
In this work, the conventional melt quenching approach is used to synthesize the Pr doped NaF-BiO-BO-SiO (NBBS) glasses. The influence of Pr ions on their spectroscopic and structural characteristics in glass network is investigated. The amorphous nature of the samples has been amply verified by X-ray diffraction patterns.
View Article and Find Full Text PDFJ Mol Model
January 2025
Department of Chemistry, Birla Institute of Technology and Science, Pilani - K. K. Birla Goa Campus, Zuarinagar, 403726, Goa, India.
Context: Donor-acceptor (D-A) complexes, formed between two or more molecules held together by intermolecular forces, show interesting tunable properties and found applications in diverse fields, including semiconductors, catalysis, and sensors. In this study, we investigated the D-A complexes formed between perylene and 7,7,8,8-tetracyanoquinodimethane (TCNQ) and their chalcogen (S, Se) and fluorine derivatives. It was observed that interaction energies due to complex formation increase while the HOMO-LUMO gaps decrease with chalcogen substitutions.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, School of Environment, South China Normal University, Guangzhou 510006, China.
Two-dimensional (2D) electronic spectra of the phenylene ethynylene dendrimer with 2-ring and 3-ring branches were evaluated by combining the on-the-fly trajectory surface hopping nonadiabatic dynamics and the doorway-window simulation protocol. The ground state bleach (GSB), stimulated emission (SE), and excited-state absorption (ESA) contributions to the 2D signal were obtained and carefully analyzed. The results demonstrate that the ultrafast intramolecular nonadiabatic excited-state energy transfer (EET) from the 2-ring to the 3-ring units is comprehensively characterized by the SE and ESA signals.
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