Spectrochim Acta A Mol Biomol Spectrosc
College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Published: November 2005
A novel method of curve fitting based on Gaussian function, which is used to resolve the overlapped peaks, is presented in this paper. The resolution of several kinds of overlapped peaks with noise simulated by computer has been performed and discussed in details. This method has been used for resolving of the UV-vis overlapped spectrum. The results indicate that the proposed algorithm can been used to resolve overlapped spectra effectively and satisfactorily.
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http://dx.doi.org/10.1016/j.saa.2004.11.051 | DOI Listing |
Polymers (Basel)
March 2025
College of Environmental and Resource Sciences, College of Carbon Neutral Modern Industry, Fujian Normal University, Fuzhou 350007, China.
The traditional plastic sorting process primarily relies on manual operations, which are inefficient, pose safety risks, and result in suboptimal separation efficiency for mixed waste plastics. Near-infrared (NIR) spectroscopy, with its rapid and non-destructive analytical capabilities, presents a promising alternative. However, the analysis of NIR spectra is often complicated by overlapping peaks and complex data patterns, limiting its direct applicability.
View Article and Find Full Text PDFOrg Biomol Chem
March 2025
School of Chemical Sciences, Indian Institute of Technology Mandi, Mandi-175001, Himachal Pradesh, India.
The reduced form of nicotinamide adenine dinucleotide, commonly known as NADH, is an essential coenzyme existing in living organisms. Due to its involvement in various biological process, fluorescence imaging of intracellular NADH levels in different pathological conditions has emerged as an interesting area of research. We report here the exploration of a fluorescent probe, MQ-CN-BTZ, as a dual-channel NADH imaging agent (green and red channels) for cellular systems.
View Article and Find Full Text PDFMagn Reson Chem
March 2025
Consejo Nacional de Humanidades, Ciencias y Tecnologías-Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Morelia, Michoacán, Mexico.
The complete assignment of H and C spectra of the ent-labdane 2α-hydroxyeperuic acid (3) has been achieved through spin simulation constructed with experimental data obtained from conventional NMR experiments such as H, C, HSQC, HMBC, COSY, NOESY, 1D-TOCSY, and J-resolved (Jres) and data obtained from H iterative full-spin analysis (HiFSA) in the prerelease version of Cosmic Truth (CT), a web-based software for spectral analysis. The combination of experimental and theoretical data is helpful in the complete NMR assignment of molecules where signal overlapping is complicated, as in most natural products.
View Article and Find Full Text PDFSmall Methods
March 2025
Department of Navigation and Shipping, ShanDong JiaoTong University, Weihai, 264200, China.
Currently, the laser-induced fluorescence method faces challenges in reliably determining the types and mass ratios of marine microplastics due to overlapped fluorescence spectra of different microplastics. To address this issue, this paper proposes a double-angling-subspace (DAS) method to differentiate the overlapped fluorescence spectra. The key idea is to span subspaces with vectors converted by known fluorescence spectra, followed by calculating the angle between vectors and subspaces.
View Article and Find Full Text PDFJ Nat Prod
March 2025
Pharmacognosy Institute and Department of Pharmaceutical Sciences, University of Illinois College of Pharmacy, Chicago, Illinois 60612, United States.
This Perspective seeks to reconnect the current practice of nuclear magnetic resonance (NMR) spectroscopy in chemical structure and quantitative (qNMR) analysis with its roots in classical physics and quantum mechanics (QM). Rationales for this approach are derived from various angles, including focused reviews of the key parameters of the nuclear resonance phenomenon, the structural information richness of NMR spectra, and significant progress in both computational and spectrometer hardware. This provides collective reasoning for the reintegration of computational quantum mechanical spectral analysis (QMSA) into the contemporary practice of NMR spectral interpretation.
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