matlab curve-fitting spectroscopy spectral-analysis raman peak-fitting Updated Oct 5, 2024 MATLAB charlesll / Spectra.jl Star 32 Code Issues Pull requests Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language julia baseline spectra spectrosc...
Peak assignment In the dry form, the peaks in the Raman spectra represent the vibrational modes of the protein via internal and surface phonons since there are no routes to a solvent. In the solvated aqueous form, there are both internal/surface vibrations of the protein solutes as well as ...
Due to the complexity of biological systems it is challenging to assign every spectral peak to individual molecular species. While a comprehensive biological database of Raman spectra is not yet available, Talari et al.59have gone some way to achieving this and have drawn upon a wealth of paper...
MALDI mass spectra were root mean square normalized using SCiLS Lab (Bruker Daltonik, Bremen, Germany), and exported as imzML files. MS peak annotation was performed with Human Metabolome Database43 (http://www.hmdb.ca/) and METASPACE44 (https://metaspace2020.eu/). Cyclic multicolor ...
the integrated RBM peak intensities are plotted as a function of the AFM deflection voltage (and estimated strain). Two sets of data are shown here. Figure 4a corresponds to the spectra shown in Figure 3 and Figure 4b to the results from ...
(APO) scheme based on an axially perpendicular geometrical arrangement of laser illumination and photon detection, enabling spatially offset Raman spectroscopy (SORS), is proposed as a versatile tool for the minimization of the glass background in direct measurements of Raman spectra of samples housed...
The experimental FT-IR, UV-Visible and Fluorescence spectra were recorded and compared with the scaled simulated IR spectra and UV spectra using TD-DFT and are also found to be in close agreement. The detailed, potential energy distribution of the IR vibrations and assignment of the electronic ...
Table 1. Positions of the observed Raman spectra lines and their assignment at 293 K. 3.1. Lattice Vibrations Low-wavenumber region is essential to study critical phenomena since the peaks in this range are originated from the vibrational modes of large molecular groups constituting peptide microtub...
Preprocessing of the Raman spectra included removing cosmic spikes using the k-means cluster algorithm followed by spectral background subtraction using the sensitive nonlinear iterative peak (SNIP) and vector normalization. The Raman spectra were clipped (excluding the spectral regions 1800–2800 cm−...
The Raman spectra of the horn fly feces exhibited higher similarity to the spectra of feces ofDermacentorandIxodes, which were characterized by high levels of blood components (Table1). The broad peak at around 1350–1400 cm−1includes the vibrational frequencies at 1348 and 1376 cm−1that ...