Application of infrared spectroscopy and its theoretical simulation to arsenic adsorption processes

Ablat, Hadiya; Nurmamat, Xamsiya; Ma, Xiao-Yan; Xie, Qingqing; Zhao, Zhixi

doi:10.1002/wer.10867

Cited by 2 publications

(1 citation statement)

References 49 publications

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“…Infrared spectroscopy (IR), conversely, is based on the principle of the molecular absorption of specific frequencies of infrared light, causing changes in vibrational energy levels. This method is suitable for both organic and inorganic compounds containing chemical bonds, frequently used in the analysis of lipids, fragrances, and moisturizers in cosmetics [ 127 ]. Mass spectrometry (MS) identifies molecular mass and composition by measuring the trajectory of molecules in electric or magnetic fields, applicable to nearly all compounds and particularly suited for the qualitative and quantitative analyses of complex cosmetic components [ 128 ].…”

Section: Compositions and Representative Compounds Of Cosmeticsmentioning

confidence: 99%

Decoding Cosmetic Complexities: A Comprehensive Guide to Matrix Composition and Pretreatment Technology

Du,

He,

Chen

et al. 2024

Molecules

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Despite advancements in analytical technologies, the complex nature of cosmetic matrices, coupled with the presence of diverse and trace unauthorized additives, hinders the application of these technologies in cosmetics analysis. This not only impedes effective regulation of cosmetics but also leads to the continual infiltration of illegal products into the market, posing serious health risks to consumers. The establishment of cosmetic regulations is often based on extensive scientific experiments, resulting in a certain degree of latency. Therefore, timely advancement in laboratory research is crucial to ensure the timely update and adaptability of regulations. A comprehensive understanding of the composition of cosmetic matrices and their pretreatment technologies is vital for enhancing the efficiency and accuracy of cosmetic detection. Drawing upon the China National Medical Products Administration’s 2021 Cosmetic Classification Rules and Classification Catalogue, we streamline the wide array of cosmetics into four principal categories based on the following compositions: emulsified, liquid, powdered, and wax-based cosmetics. In this review, the characteristics, compositional elements, and physicochemical properties inherent to each category, as well as an extensive overview of the evolution of pretreatment methods for different categories, will be explored. Our objective is to provide a clear and comprehensive guide, equipping researchers with profound insights into the core compositions and pretreatment methods of cosmetics, which will in turn advance cosmetic analysis and improve detection and regulatory approaches in the industry.

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Section: Compositions and Representative Compounds Of Cosmeticsmentioning

confidence: 99%

Decoding Cosmetic Complexities: A Comprehensive Guide to Matrix Composition and Pretreatment Technology

Du,

He,

Chen

et al. 2024

Molecules

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Surface Energies, Al-Substitution Effects, and Water Adsorption on Ferrihydrite: Insights from Density Functional Theory Calculations

Guimarães,

de Lima,

Duarte

2024

J. Phys. Chem. C

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Ferrihydrite (Fe 5 O 7 (OH), Fh) plays a crucial role in various environmental processes involving iron oxyhydroxides. Its poorly crystalline nature, high surface area, and numerous reactive sites make it significant in the formation of different oxyhydroxides, as well as in the adsorption and reactive processes. To understand its surface properties, we performed density functional/plane wave (density functional theory/PW) calculations to estimate the cleavage surface energies along directions with low Miller indices. We investigated 25 cleavage surfaces in five different directions. Among these, the (110) direction with the MO termination is the most favorable, with a cleavage energy of 2.61 J m −2 , followed by the (100)-MO and (010)-MO cleavages, with energies of 2.84 and 2.96 J m −2 , respectively. The surface energy of the (110) surface was estimated to be 1.65 J m −2 . We also examined the effect of Al-substitution at the Fe sites. Calculations for a ferrihydrite with 20% Al content (Fh20) indicated an average increase in the cleavage energy by 0.10 J m −2 . The surface energy of the Fh20 (110) surface was estimated to be 1.99 J m −2 . Water adsorption on these surfaces was found to occur preferentially in a dissociative manner, with an adsorption energy of 122.7 kJ mol −1 . Adsorption sites for Al on the Fh20 surface exhibited a slightly higher adsorption energy of 124.6 kJ mol −1 . Using the Wulff theorem, we determined the mineral habit of Fh, which revealed a trade-off: the predominance of the most stable (110) surface implies a larger, less stable (001) surface. These findings suggest that the (001) surface is likely the most reactive, playing a significant role in many chemical processes on Fh surfaces.

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Application of infrared spectroscopy and its theoretical simulation to arsenic adsorption processes

Cited by 2 publications

References 49 publications

Decoding Cosmetic Complexities: A Comprehensive Guide to Matrix Composition and Pretreatment Technology

Decoding Cosmetic Complexities: A Comprehensive Guide to Matrix Composition and Pretreatment Technology

Surface Energies, Al-Substitution Effects, and Water Adsorption on Ferrihydrite: Insights from Density Functional Theory Calculations

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