Advances in Infrared Spectroscopy

Online ATR-FT-IR for Real-Time Monitoring of the Aspirin Esterification Process in an Acid-Mediated Reaction

August 01, 2022

37

S8

In this study, the measured spectra of acetic anhydride, acetic acid, salicylic acid, and aspirin are used for in situ monitoring of the progression of aspirin synthesis in a reaction system. Traditional methods such as HPLC and titration ultraviolet (UV) absorption are not optimal for such real-time monitoring because of long analytical times and complicated procedures. ATR-FT-IR offers an alternative solution that overcomes the shortcomings of traditional techniques.

Lignocellulose Determination and Categorization Analysis for Biofuel Pellets Based on FT-IR Spectra

August 01, 2022

37

S8

FT-IR offers an alternative method for the quantification and classification of lignocellulose in biofuel pellets, based on determination of cellulose, hemicellulose, and lignin content. The IR spectroscopic evaluation presented here provides an understanding of the pretreatment and storage of biofuel pellets.

Density Functional Theory Investigation on the Molecular Structure and Vibrational Spectra of Triclosan

August 01, 2022

37

S8

Selecting the correct basis set is essential for enhancing accuracy of DFT simulations. Here, the effects of five basis sets on the theoretical frequencies and calculated infrared intensities are compared to predict the molecular structural and vibrational properties of the triclosan. The demonstrated methods can help provide a benchmark for studying the pollution mechanisms and ecological effects of antibacterial products like triclosan.

Detection of Early Bruises in Honey Peaches Using Shortwave Infrared Hyperspectral Imaging

August 01, 2022

37

S8

By extracting the RGB, HSI, and grayscale information from a spectral range of 400–1100 nm and comparing the spectral features of sound and bruised peaches, the authors provided a classification system and theoretical basis for online fruit bruise detection.

Specific Recognition Technology of Infrared Absorption Spectra Based on Continuous Wavelet Decomposition

August 01, 2022

37

S8

IR absorption spectroscopy technology can solve the problem of line aliasing in gas detection. Here, continuous wavelet transform was used in time-frequency analysis to improve spectral component identification and quantitative detection of gases.