Breakthrough potential in near-infrared spectroscopy: Spectra simulation. A review of recent developments
Near-infrared (12,500–4,000 cm− 1; 800–2,500 nm) spectroscopy is the hallmark for one of
the most rapidly advancing analytical techniques over the last few decades. Although it is …
the most rapidly advancing analytical techniques over the last few decades. Although it is …
Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase
The purpose of this review is to demonstrate advances, challenges and perspectives of
quantum chemical approaches in molecular spectroscopy of the condensed phase …
quantum chemical approaches in molecular spectroscopy of the condensed phase …
Identifying distinct plastics in hyperspectral experimental lab-, aircraft-, and satellite data using machine/deep learning methods trained with synthetically mixed …
The growing production and use of plastics are becoming a serious progressive issue and
people pay increasing attention to the effects of plastics on ecosystems and human health …
people pay increasing attention to the effects of plastics on ecosystems and human health …
A review of the application of near-infrared spectroscopy to rare traditional Chinese medicine
L Yin, J Zhou, D Chen, T Han, B Zheng… - … Acta Part A: Molecular …, 2019 - Elsevier
Near-infrared spectroscopy (NIRS) has become popular in the field of traditional Chinese
medicine (TCM) due to its many practical advantages, such as providing rapid, accurate …
medicine (TCM) due to its many practical advantages, such as providing rapid, accurate …
[HTML][HTML] In silico NIR spectroscopy–A review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference
Quantum mechanical calculations are routinely used as a major support in mid-infrared
(MIR) and Raman spectroscopy. In contrast, practical limitations for long time formed a …
(MIR) and Raman spectroscopy. In contrast, practical limitations for long time formed a …
Systematic discovery about NIR spectral assignment from chemical structural property to natural chemical compounds
L Ma, Y Peng, Y Pei, J Zeng, H Shen, J Cao, Y Qiao… - Scientific reports, 2019 - nature.com
Spectra-structure interrelationship is still the weakness of NIR spectral assignment. In this
paper, a comprehensive investigation from chemical structural property to natural chemical …
paper, a comprehensive investigation from chemical structural property to natural chemical …
[HTML][HTML] Current and future research directions in computer-aided near-infrared spectroscopy: A perspective
The present review aims to draw a perspective on the vibrational spectroscopy combined
with the tools of computational chemistry. This includes an overview of the accomplishments …
with the tools of computational chemistry. This includes an overview of the accomplishments …
Catalytic production of δ-valerolactone (DVL) from biobased 2-hydroxytetrahydropyran (HTHP)–Combined experimental and modeling study
Abstract δ-Valerolactone (DVL) is a five-carbon (C5) cyclic ester that can undergo ring-
opening polymerization to yield high-performance, biocompatible polyesters. But current …
opening polymerization to yield high-performance, biocompatible polyesters. But current …
NIR spectra simulation of thymol for better understanding of the spectra forming factors, phase and concentration effects and PLS regression features
Near-infrared spectroscopy (NIRS) is an effective analytical/quality control tool in various
appliances, ie in phytopharmaceutical industry. While multivariate analysis gives NIRS the …
appliances, ie in phytopharmaceutical industry. While multivariate analysis gives NIRS the …
[HTML][HTML] Chemical imaging to reveal the resin distribution in impregnation-treated wood at different spatial scales
M Altgen, M Awais, D Altgen, A Klüppel, G Koch… - Materials & Design, 2023 - Elsevier
An inhomogeneous chemical distribution can be problematic in many biomaterial
applications, including wood impregnation. Since wood is a hierarchically structured …
applications, including wood impregnation. Since wood is a hierarchically structured …