Article
Engineering, Environmental
Gamzenur Ozsin, Ayse Eren Putun
Summary: This study investigates the pyrolysis of textile waste to develop efficient thermochemical conversion processes and create value-added products. Different kinetic models were applied to analyze the pyrolysis behavior using a thermogravimetric analyzer coupled with a mass spectrometer and a Fourier transform infrared spectrometer.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Polymer Science
Kate S. Irvin, Johannes H. Potgieter, Christopher Liauw, Robert Sparkes, Sanja Potgieter-Vermaak
Summary: The PVC industry relies on material property testing during product development, but traditional methods are time-consuming and expensive. This study explores alternative analysis techniques, such as FT-IR and micro-Raman spectroscopy, to quantify the main components in pPVC compounds. Correlations between the spectroscopic data and DOTP and calcium carbonate were found, providing a cost-effective way to determine raw material levels in pPVC.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Medicine, Legal
Xin Wei, Kai Yu, Hao Wu, Chen Shen, Huiyu Li, Ruina Liu, Qinru Sun, Zhenyuan Wang
Summary: Species identification is crucial in forensic science, but the current methods lack objectivity, accuracy, and conciseness. In this study, the Fourier transform infrared (FT-IR) and chemometric methods were used for the classification of bone species and further applied for the rapid detection of teeth species. The results demonstrate that FT-IR spectroscopy can serve as a practical tool for identifying unknown teeth species.
FORENSIC SCIENCE INTERNATIONAL
(2022)
Article
Instruments & Instrumentation
Christopher J. Thompson, Neal B. Gallagher, Kendall D. Hughey, Megan K. Dunlap, Tanya L. Myers, Timothy J. Johnson
Summary: A spectral analysis tool called SpecQuant has been developed to identify and quantify gas-phase species from complex infrared spectra. It can handle both reference and experimental data with varying resolution and instrumental lineshape. The software uses classical least squares model and reference spectra to determine the mixing ratio of each species along with its estimation error. SpecQuant also provides visual inspection of the fit and residuals by displaying the calculated mixing ratio versus experimental data for each analyte.
APPLIED SPECTROSCOPY
(2023)
Article
Chemistry, Multidisciplinary
Chong-Yuan Zhang, Qiang Wu, Ying-Dong Wang, Jin-Tao Fan, Zi-Zong Zhu
Summary: In this study, carbonization experiments were conducted on cokes produced from Jurassic and Carboniferous coking coals. The quality of cokes from Jurassic coals was found to be inferior to that from Carboniferous coals. Analyzing the coal samples, it was discovered that the excessive oxygen-containing functional groups in the Jurassic coals led to the poor quality of the cokes.
Review
Chemistry, Applied
Martyna Krysa, Monika Szymanska-Chargot, Artur Zdunek
Summary: Flavonoids are secondary metabolites commonly found in plants, known for their antioxidant properties, involvement in plant defense mechanisms, and responsibility for the pigmentation of fruits and flower petals. Consumption of foods rich in flavonoids brings various health benefits such as blood pressure regulation, anti-aging effects, and anti-cancer properties. Infrared and Raman spectroscopy are effective methods for quickly and accurately determining the presence of flavonoid compounds in test samples. These methods have been successfully applied in the food and pharmaceutical industries. The spectroscopic spectra of different flavonoid subgroups (flavones, isoflavones, flavanones, flavonols, and anthocyanins) are compared and described in this review.
Article
Chemistry, Analytical
Amanda M. Lines, Dushyant Barpaga, Richard F. Zheng, James R. Collett, David J. Heldebrant, Samuel A. Bryan
Summary: Carbon capture is a key method for addressing climate change, and researchers are developing next-generation solvent-based capture processes. This study explores the quantification of CO2 and H2O loadings in water-lean solvents using in situ monitoring and real-time water analysis, providing important insights for optimizing the efficiency of water-lean CO2 solvents and maintaining water balance.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
A. Ram Kumar, S. Selvaraj, K. S. Jayaprakash, S. Gunasekaran, S. Kumaresan, J. Devanathan, K. A. Selvam, L. Ramadass, M. Mani, P. Rajkumar
Summary: The spectroscopic properties of syringaldehyde were studied using FT IR, FT Raman, and NMR techniques, as well as high-level quantum chemical calculations. The molecular properties of syringaldehyde were investigated to confirm its structure, and both experimental and theoretical findings were in complete agreement.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Jinghang Xie, Fan Yang, Haimei Shi, Jintao Yan, Hao Shen, Shaoning Yu, Ning Gan, Bin Feng, Li Wang
Summary: This study investigated the influence of water on the bacterial protein amide bands using FT-IR spectroscopy. The results showed that the FT-IR signals of protein amide bands are beneficial for bacterial typing.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Chemistry, Physical
M. Sathish, L. Rajasekaran, D. Shanthi, N. Kanagathara, S. Sarala, S. Muthu
Summary: The study utilized quantum mechanical calculations to determine the structural and spectroscopic parameters of the Indole-3-carboxylic acid (I3CA) molecule, revealing its antimicrobial and anticancer properties.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Michele Carosso, Eleonora Vottero, Sara Morandi, Maela Manzoli, Davide Ferri, Thibault Fovanna, Riccardo Pellegrini, Andrea Piovano, Elena Groppo
Summary: The decomposition of ethanol over two Pd/Al2O3 catalysts was investigated using transmission FT-IR and ATR-IR spectroscopies. The regularity of Pd particles and initial Pd oxidation state were found to significantly impact the products formed, with ethanol oxidation to acetates being the kinetically favored reaction path. The presence of a solvent also dampened the decarbonylation process due to competition for surface sites.
Article
Biotechnology & Applied Microbiology
Salma Shahid, David Corroler, Ridha Mosrati, Caroline Amiel, Jean-Luc Gaillard
Summary: This study utilizes FT-IR spectroscopy data for cluster and discriminant statistical analysis, proposing different models for rapid identification and semi quantification of PHA monomers. It demonstrates the ability of different bacterial strains to produce large amounts of PHA under various growth conditions. The spectral data analysis provides qualitative and semi quantitative information about the produced PHA.
JOURNAL OF BIOTECHNOLOGY
(2021)
Article
Spectroscopy
Elisa Fardelli, Annalisa D'Arco, Stefano Lupi, Daniela Billi, Ralf Moeller, Mariangela Cestelli Guidi
Summary: In recent decades, Mars has been extensively studied as a potential host for life through on-site missions and observations. Space Agencies have conducted experiments on living organisms to understand their behavior in extraterrestrial conditions and to develop techniques for identifying biosignatures remotely. This study focused on the radioresistant cyanobacterium Chroococcidiopsis, investigating its response to radiation stress using Raman spectroscopy, Fourier Transform InfraRed (FT-IR) and Terahertz Time Domain spectroscopy (THz-TDs), which demonstrated the suitability of these techniques for future space missions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Rosangela Santalucia, Giuseppe Spoto, Lorenzo Mino
Summary: The photoreduction of the Mo6+/SiO2 system with CO was studied using an experimental setup that allowed for real-time acquisition of transmission FT-IR spectra under simultaneous UV irradiation. High-quality spectroscopic data obtained as a function of reduction time helped to better understand the different mechanisms of the photoreduction process, shedding light on the oxidation state and surface structure of supported molybdenum species.
Article
Chemistry, Physical
S. Chithra, G. Mani, M. Kumar, S. Muthu, A. Saral, Fazilath Basha Asif, Ahmad Irfan
Summary: This study characterized the properties of 5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol using various spectroscopic analysis methods and computational approaches, and investigated its biological activity in cardiovascular analeptic proteins through molecular docking. The results indicate that the molecule has potential drug likeness properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Frederic C. Meunier, Luis Cardenas, Helena Kaper, Bretislav Smid, Mykhailo Vorokhta, Remi Grosjean, Daniel Aubert, Kassioge Dembele, Thomas Lunkenbein
Summary: Experimental results show that metallic and oxidized Pt exist in similar proportions on the surface of nanoparticles at 30 degrees C under reaction conditions. The metallic Pt phase provides strong adsorption sites for CO, while the oxidized Pt phase supplies reactive oxygen, enabling a synergy between these phases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Taha Elgayyar, Ranin Atwi, Alain Tuel, Laurence Burel, Yves Schuurman, Frederic C. Meunier
Summary: In this study, we explored the possibility of using CO desorption kinetics monitored by IR spectroscopy as a tool to characterize the mixing of Au and Pt atoms at the surface of supported nanoparticles. The results showed that the bimetallic sample exhibited intermediate behavior between the monometallic Au and Pt samples, indicating the alloyed nature of the nanoparticles. Additionally, the experiments revealed that alumina-supported Au nanoparticles formed surface carbonates at 50°C, possibly through the Boudouard reaction, in contrast to the Pt-based sample.
APPLIED CATALYSIS A-GENERAL
(2022)
Editorial Material
Chemistry, Physical
Frederic C. Meunier
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Physical
Frederic C. Meunier, Taha Elgayyar, Kassioge Dembele, Helena Kaper
Summary: Operando diffuse reflectance FT-IR spectroscopy often detects overlapping signals between gas-phase CO and adsorbates when studying catalysts. Removing CO(g) physically may result in a rapid decay of adsorbate signals. Our study shows that carbonyls adsorbed on metallic Pt sites disappeared completely within 10 minutes at 30 degrees C upon removing CO(g) when using redox supports. However, a broad band assigned to CO adsorbed on oxidized Pt sites remained stable.
Article
Chemistry, Applied
Frederic C. Meunier
Summary: The hydrogenation of CO and especially that of CO2 has gained increasing attention for the production of base chemicals and fuels. This contribution discusses the insights that can be obtained through in situ and operando FT-IR studies on CO and CO2 hydrogenations. It emphasizes the importance of quantitative IR studies for drawing relevant conclusions and discusses the limitations and pitfalls of diffuse reflectance spectroscopy. The potential of IR spectroscopy in unraveling the properties of CO2 trapping-methanation materials is briefly discussed.
Article
Chemistry, Physical
Pauline Bredy, David Farrusseng, Yves Schuurman, Frederic C. Meunier
Summary: An operando IR study reveals that the decline in selectivity to higher hydrocarbons over cobalt-based Fischer-Tropsch catalysts when CO is replaced with CO2 is mainly attributed to surface coverage effects.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Frederic C. Meunier, Isaac Dansette, Kimleang Eng, Yves Schuurman
Summary: The surface species formed during the hydrogenation of CO2 with H-2 over a ZrO2-supported Cu catalyst were studied. The reactivity of two different formates located on zirconia was investigated, and it was found that the hydroxyl groups on ZrO2 were the sites where carbonates and formates were hydrogenated to methoxy species. The rate constant of the most reactive ZrO2-bound formates was about 65 times higher than that of the slower formate.
Article
Chemistry, Multidisciplinary
Frederic C. Meunier, Isaac Dansette, Anaelle Paredes-Nunez, Yves Schuurman
Summary: Cu/ZrO2 is a promising catalyst for CO2 hydrogenation to methanol. Three different types of formates were observed under reaction conditions, with one bound to metallic Cu and the other two bound to ZrO2. The Cu-bound formate, representing only about 7% of surface formates, was found to be highly reactive and the sole source of methanol production. This study highlights the importance of quantitative IR analysis and transient methods in understanding the role of surface species.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Partha Samanta, Albert Sole-Daura, Remy Rajapaksha, Florian M. Wisser, Frederic Meunier, Yves Schuurman, Capucine Sassoye, Caroline Mellot-Draznieks, Jerome Canivet
Summary: Molecularly defined organometallic rhodium phosphine complexes were immobilized within a MOF structure without losing their molecular nature and catalytic behavior. These MOF-based catalysts showed high activity for ethylene hydroformylation and successfully catalyzed the hydroformylation of longer and bulkier alkenes. The combination of experimental and computational methods allowed for a better understanding of the active species and molecular mechanisms involved in the catalytic reactions. The use of MOF-808 as a solid ligand offers advantages such as molecular-scale understanding, site isolation, and recycling ability.
Editorial Material
Chemistry, Physical
Frederic C. Meunier, Canio Scarfiello
Summary: The IR work in Jo et al.'s paper is critically re-analyzed and alternative interpretations are proposed, challenging some of the conclusions made by the authors.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Chemistry, Physical
Frederic C. Meunier, Xianwei Wang, Thomas Buergi
Summary: The presence of negatively charged gold species on Au surfaces or supported Au nanoparticles has been widely reported based on the appearance of IR bands of adsorbed CO below 2090 cm-1. However, some researchers have suggested that these bands may be solely attributed to the presence of Ni-CO species contaminating the sample surfaces. In this study, CO adsorption was monitored using a CO supply, DRIFTS reaction cell, and lines that excluded nickel contamination. The results show that a band at 2067 cm-1 appeared without the involvement of Ni carbonyls, supporting the idea of CO adsorption on negatively charged Au surfaces. © 2023 Elsevier Inc. All rights reserved.
JOURNAL OF CATALYSIS
(2023)
Article
Chemistry, Applied
Pauline Bredy, Ludovic Fine, David Farrusseng, Yves Schuurman, Frederic C. Meunier
Summary: In situ and operando diffuse reflectance FT-IR (DRIFTS) studies often require consideration of changes in optical properties. This study investigated the variation of IR optical pathlength of Fe and Co-based Fischer-Tropsch catalysts by using an internal standard CaCO3 mixed with the catalyst. The results showed the importance of considering changes in optical pathlength for quantitative DRIFTS analysis.
Article
Chemistry, Physical
Partha Samanta, Albert Sole-Daura, Remy Rajapaksha, Florian M. Wisser, Frederic Meunier, Yves Schuurman, Capucine Sassoye, Caroline Mellot-Draznieks, Jerome Canivet
Summary: Molecularly defined organometallic rhodium phosphine complexes were efficiently immobilized within a MOF structure, maintaining their molecular nature and catalytic behavior. The resulting MOF-heterogenized catalysts showed high activity in ethylene hydroformylation and successfully catalyzed the hydroformylation of longer and bulkier alkenes. The study also provided insights into the structure, evolution, and mechanisms of the active species within the MOF under catalytic conditions.
Article
Chemistry, Multidisciplinary
Loren Acher, Tristan Laredo, Thierry Caillot, Akim Kaddouri, Frederic C. Meunier
Summary: This study investigated CO2 capture and methanation using solid adsorbents, microwave absorbers, and a methane catalyst. The research demonstrated the potential of using inexpensive microwave technology to convert trapped CO2 into valuable products.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Physical
Frederic C. Meunier
Summary: Formation of ppm levels of volatile Ni(CO)(4) occurred on a worn commercial cell used for reflectance FT-IR in the presence of 1 kPa CO, but not on a more recent cell. The presence of Ni(CO)(4) resulted in nickel deposition on Au and Cu-based catalysts with specific Ni-CO IR bands. In contrast, no Ni-CO IR bands were observed on plain silica, indicating the requirement of specific sites for Ni(CO)(4) decomposition. The unambiguous evolution of the carbonyl signal on Au/SiO2 can be used to test the presence of ppm levels of Ni(CO)(4) in in situ and operando IR cells.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)