In the quantitative analysis of mixed gases by tunable diode laser absorption spectroscopy, the overlapping of absorption spectra and mutual interference of multi-component gases can lead to problems of large measurement errors and low analysis accuracy. In this paper, an improved firefly algorithm is proposed and applied to the support vector machine regression model to solve this problem. The specific method includes introducing an adaptive step size to balance the local and global searches and using the gradient descent method to accelerate the parameter optimization process so as to improve the model's generalization ability and prediction accuracy. The experimental results show that the maximum errors of the improved algorithm in the prediction of CH and CO gas concentrations are no more than 0.0443 % and 2 ppm, with coefficients of determination, R, of 0.9994 and 0.99815. The promising results obtained by the system provide theoretical support for the realization of high-precision detection of multicomponent gases with a single source of light, and also demonstrate the high efficiency and feasibility of the method in practical detection.
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http://dx.doi.org/10.1016/j.saa.2024.125352 | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
December 2024
Department of Chemistry and Material Science, College of Science, Nanjing Forestry University, Nanjing 210037, People's Republic of China. Electronic address:
For the typical ESIPT process, the proton transfer process is often completed via the intramolecular hydrogen bond (IHB) with oxygen or nitrogen as proton donor or proton acceptor. In recent years, the ESIPT process for sulfur-containing hydrogen bonds has received more and more attention, but it has been rarely reported. We systematically studied the ESIPT processes and photophysical properties of 2-(benzothiophene-2-yl)-3-hydroxy-4H-chromen-4-one (BTOH), 2-(benzothiophene-2-yl)-3-mercapto-4H-chromen-4-one (BTSH) and 2-(benzothiophen-2-yl)-3-hydroxy-4H-chromene-4-thione (BTS) at the HISSbPBE/6-31+G(d,p) and TD-HISSbPBE/6-31+G(d,p) computational level.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
December 2024
Department of Chemistry, National Institute of Technology-Tiruchirappalli, Tamil Nadu 620015, India. Electronic address:
R - C(S) - NH - N = CH - R [R = o-OCHCH & R = CHN (2-EBP), R = o-OCHCH & R = CHNO (2-EBM), R = p-OCHCH & R = CHN (4-EBP), and R = p-OCHCH & R = CHNO (4-EBM)] have been synthesized. The ligands have been verified via various spectroscopic methods such as IR, NMR, etc. Single-crystal X-ray diffraction methods were applied to identify the structure of 4-EBP.
View Article and Find Full Text PDFWater Res
December 2024
Institute for Advanced Membrane Technology (IAMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. Electronic address:
Calcium (Ca)-enhanced organic matter (OM) fouling of nanofiltration (NF) membranes leads to reduced flux during desalination and requires frequent cleaning. Fouling mechanisms are not fully understood, which limits the development of targeted fouling control methods. This study employed synchrotron-based X-ray fluorescence (XRF) and X-ray absorption near-edge structure (XANES) spectroscopy to quantify the spatial distribution and mass of Ca deposition as well as changes in the Ca coordination environment characteristic of specific fouling mechanisms, respectively.
View Article and Find Full Text PDFBiochim Biophys Acta Gen Subj
December 2024
Department of Biochemistry, Faculty of Life Sciences, Aligarh Muslim University, Aligarh 202002, India. Electronic address:
The interaction of drugs with DNA is crucial for understanding their mechanism of action, particularly in the context of gene expression regulation. Erdafitinib (EDB), a pan-FGFR (fibroblast growth factor receptor) inhibitor approved by the FDA, is a potent anticancer agent used primarily in the treatment of urothelial carcinoma. In this study, the binding interaction between EDB and calf thymus DNA (ctDNA) was assessed using molecular docking, UV-absorption spectroscopy, fluorescence spectroscopy, and circular dichroism (CD) spectroscopy.
View Article and Find Full Text PDFCarbohydr Res
December 2024
Department of Chemistry, School of Basic and Applied Sciences, Central University of Tamil Nadu (CUTN), Thiruvarur, 610 005, India. Electronic address:
In this report, the design and synthesis of cholesterol-based sugar azobenzene derivatives as photo-responsive organogelators have been carried out. The gel formation in different solvents was examined, and a minimum CGC of 0.5 % (w/v) was attained in toluene.
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