Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Oct 22, 2022
Near-infrared (NIR) spectroscopy with deep penetration can characterize the composition of biological tissue based on the vibration of the X-H group in a rapid and high-specificity way. Deep learning is proven helpful for rapid and automatic identifi...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Sep 20, 2022
According to the limited molecular information reflected by single spectroscopy, and the complementarity of FTIR spectroscopy and Raman spectroscopy, we propose a novel diagnostic technology combining multispectral fusion and deep learning. We used s...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Aug 28, 2022
Eating repeatedly used hotpot oil will cause serious harm to human health. In order to realize rapid non-destructive testing of hotpot oil quality, a modeling experiment method of fluorescence hyperspectral technology combined with machine learning a...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Aug 13, 2022
This study proposed a deep transfer learning methodology based on an improved Bi-directional Long Short-Term Memory (Bi-LSTM) network for the first time to address the near infrared spectroscopy (NIR) model transfer issue between samples. We tested i...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jul 14, 2022
Traditional trial-and-error methods are time-consuming and inefficient, especially very unfriendly to inexperienced analysts, and are sometimes still used to select preprocessing methods or wavelength variables in near-infrared spectroscopy (NIR). To...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jul 7, 2022
PURPOSE: To identify and compare the capacities of serum and serum-derived small extracellular vesicles (EV) in diagnosis of common urogenital cancer combining Surface-enhanced Raman spectroscopy (SERS) and Convolutional Neural Networks (CNN).
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jun 25, 2022
Raman spectroscopy is a spectroscopic technique typically used to determine vibrational modes of molecules and is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. With the help of deep learning, Ram...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jun 9, 2022
Aqueous extraction is the most common and cost-effective means of obtaining active ingredients from medicinal plants. However, botanical extracts generally contain high pigment content and complex chemical composition posing a challenge for the proce...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
May 30, 2022
In this article, we provide a convenient tool for all researchers to predict the value of the molar absorption coefficient for a wide number of dyes without any computer costs. The new model is based on RFR method (ALogPS, OEstate + Fragmentor + QNPR...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
May 21, 2022
Laser-induced fluorescence (LIF) spectroscopy is widely used for the analysis and classification of olive oil. This paper proposes the classification of LIF data using a specific 1-dimensional convolutional neural network (1D-CNN) model, which does n...