Acrolein (C(3)H(4)O) molecular line parameters, including infrared (IR) absorption positions, strengths, and nitrogen broadened half-widths, must be determined since they are not included in the high resolution transmission (HITRAN) molecular absorption database of spectral lines. These parameters are required for developing a quantitative analytical method for measuring acrolein in a single puff of cigarette smoke using tunable diode laser absorption spectroscopy (TDLAS). The task is complex since acrolein has many highly overlapping infrared absorption lines in the room temperature spectrum and the cigarette smoke matrix contains thousands of compounds. This work describes the procedure for estimating the molecular line parameters for these overlapping absorption lines in the wavenumber range (958.7-958.9 cm(-1)) using quantitative reference spectra taken with the infrared lead-salt TDLAS instrument at different pressures and concentrations. The nitrogen broadened half-width for acrolein is 0.0937 cm(-1)atm(-1) and to our knowledge, is the first time it has been reported in the literature.
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http://dx.doi.org/10.1016/j.saa.2005.11.018 | DOI Listing |
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Department of Pharmacology, ISF College of Pharmacy, Ghal Kalan, GT Road, Moga, 142001, Punjab, India.
In examining the enduring consequences of diabetes, recent research has focused on the anticipated outcomes of the condition. Specifically, cognitive impairment has been linked to diabetes mellitus dating back to the discovery of insulin. This study delves into the neuroprotective effects of TZP, i.
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Interdisciplinary Stem Cell Institute, University of Miami Leonard M. Miller School of Medicine, Miami, Florida.
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View Article and Find Full Text PDFJ Phys Chem A
January 2025
College of Physics, Liaoning University, Shenyang 110036, China.
Based on the DCV-C system of fullerene acceptor organic solar cell active materials, the charge transfer process of D-A type molecular materials under the action of an external electric field () was explored. Within the range of electric field application, the excited state characteristics exhibit certain regular changes. Based on reducing the excitation energy, the excitation mode shows a trend of developing toward low excited states.
View Article and Find Full Text PDFNat Prod Res
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Department of Pharmacognosy and Medicinal Plants, Faculty of Pharmacy, Al-Azhar University (Boys), Cairo, Egypt.
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View Article and Find Full Text PDFIET Syst Biol
January 2025
School of Computer Science and Technology, Baotou Medical College, Baotou, China.
Metal ions are significant ligands that bind to proteins and play crucial roles in cell metabolism, material transport, and signal transduction. Predicting the protein-metal ion ligand binding residues (PMILBRs) accurately is a challenging task in theoretical calculations. In this study, the authors employed fused amino acids and their derived information as feature parameters to predict PMILBRs using three classical machine learning algorithms, yielding favourable prediction results.
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