Salt contents in soil or groundwater are one of the primary indicators to evaluate contamination levels. Electrical conductivity (EC) or salinity information from the conventional laboratory analysis is typically inefficient in delineating contaminat...
To accurately identify the blood authenticity, a set of photoacoustic detection system was established. In experiments, five kinds of blood in total of 125 groups were used, the time-resolved photoacoustic signals and peak-to-peak spectra were obtain...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jan 6, 2022
The rapid identification of coal types in the field is an important task. This research combines spectroscopy with deep learning algorithms and proposes a method for quickly identifying coal types in the field. First, we collect field spectral data o...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jan 5, 2022
Previously, we successfully realized the identification of a single species of bacteria based on the multi-wavelength transmission spectrum of bacteria. The current research is focused on realizing the spectral analysis of mixed bacteria. Principal c...
High-throughput, nondestructive, and precise measurement of seeds is critical for the evaluation of seed quality and the improvement of agricultural productions. To this end, we have developed a novel end-to-end platform named to provide hyperspectr...
Laser-induced breakdown spectroscopy is often combined with a multivariate black box model-such as support vector machines (SVMs)-to obtain desirable quantitative or qualitative results. This approach carries obvious risks when practiced in high-stak...
The structural dynamics of a molecule are determined by the underlying potential energy landscape. Conical intersections are funnels connecting otherwise separate potential energy surfaces. Posited almost a century ago, conical intersections remain t...
Analytical methods : advancing methods and applications
Oct 28, 2021
The feasibility and accuracy of several combination classification models, , quadratic discriminant analysis (QDA), random forest (RF), Bernoulli naïve Bayes (BNB), and support vector machine (SVM) classification models combined with either sequentia...
Light-scattering spectroscopy (LSS) is an established optical approach for characterization of biological tissues. Here, we investigated the capabilities of LSS and convolutional neural networks (CNNs) to quantitatively characterize the composition a...
Journal of chemical information and modeling
Aug 27, 2021
We describe an automated workflow that connects a series of atomic simulation tools to investigate the relationship between atomic structure, lattice dynamics, materials properties, and inelastic neutron scattering (INS) spectra. Starting from the at...