Article
Spectroscopy
Pablo G. Cataldo, Maximiliano A. Iramain, Maria V. Castillo, Maria E. Manzur, Elida Romano, Silvia Antonia Brandan
Summary: In this study, the three different cyclic dimers and a tetramer of adenine were studied using experimental and computational methods. The vibration spectra were analyzed to understand the characteristics of N-H & sdot;& sdot;& sdot;N interactions and the assignments of bands. The results from experiments and calculations were consistent, confirming the presence of cyclic dimers and tetramer in solution.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Chemistry, Multidisciplinary
Anwesh Pandey, Nandan Kumar
Summary: In this study, the functionalization of pyrene through C, N, and O-based ionic and radical substrates was reported, and the transition from covalent to non-covalent functionalization was emphasized by making modulations in the substrates. Strong interactions were observed for cationic substrates, while anionic substrates also exhibited competitive binding strength. The analysis of topological parameters showed that un-substituted cationic, anionic, and radical substrates interact with pyrene through covalent interactions and become non-covalent upon methylation and phenylation of the substrates.
Article
Chemistry, Physical
Maria Castillo, Maximiliano A. Iramain, Lilian Davies, Maria E. Manzur, Silvia Antonia Brandan
Summary: This study experimentally characterized the S(+) and R(-) forms of 2,4'-DDT, with results indicating the R(-) form as the most stable. Comparisons with other DDT derivatives show structural and vibrational differences in R-2,4'-DDT.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Luca Mazzei, Umberto Contaldo, Francesco Musiani, Michele Cianci, Greta Bagnolini, Marinella Roberti, Stefano Ciurli
Summary: The study found that for the inhibition of urease catalyst, mono-substituted 3-methyl catechol is the most effective inhibitor.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Spectroscopy
Enrico Benassi, Tamara Vaganova, Evgenij Malykhin, Yurij Gatilov, Lazzat Nurtay, Haiyan Fan
Summary: The present work focuses on the synthesis and characterization of polyhalogenated di- or triamino pyridines and the study of their corresponding supramolecular synthons using quantum mechanical calculations and spectroscopy techniques. Distinctive features in the vibrational spectra indicate the presence of supramolecular interactions, particularly hydrogen bonds. Comparison between experimental and simulated results confirms the existence of adjacent intermolecular hydrogen bonds in the solid samples. The study also establishes quantitative correlations between dimerization energies for hydrogen bond dimers, ring structure, and quantitative characteristics of the vibrational spectra.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Biochemistry & Molecular Biology
Andrea Pietropolli Charmet, Giorgia Ceselin, Paolo Stoppa, Nicola Tasinato
Summary: This study provides an accurate prediction of the structural, rotational, and vibrational spectroscopic properties of R1122 through computational-theoretical investigation. The experimentally recorded gas-phase infrared spectrum is analyzed using the theoretical predictions. The obtained spectroscopic data allows for a preliminary estimation of the global warming potential of R1122's vibrational spectra.
Article
Biochemistry & Molecular Biology
Wen-Jin Zhang, Xin Ye, Ning-Chao Zhang, Qi-Jun Liu, Dai-He Fan, Zheng-Tang Liu, Dan Hong, Yun Wei
Summary: A series of energetic nitrogen-rich molecules with long catenated nitrogen chains were successfully synthesized using a new strategy of oxidative azo coupling of the N-NH2 moiety, among which the synthesized 1,1'-azobis-1,2,3-triazole exhibited excellent thermal stability, explosive performance, and special photochromic properties, attracting widespread attention. The structural, electronic, vibrational, mechanical, and thermodynamic properties of 1,1'-azobis-1,2,3-triazole were investigated using first-principles density functional theory calculations, showing consistent results and excellent performance in various aspects.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Medicinal
Jose Ramon Lopez-Blanco, Yves Dehouck, Ugo Bastolla, Pablo Chacon
Summary: We propose a novel method based on constrained normal mode analysis in internal coordinates to efficiently explore local protein loop conformations. By reducing the manifold of possible loop configurations to a set of orthogonal motions encoding concerted rotations of all backbone dihedral angles, our approach can effectively explore the conformational space of closed loops. Validation results demonstrate its sampling power on protein loops with highly variable experimental structures, and show acceptable resemblance with ensembles generated by long molecular simulations on exposed and diverse loops. Compared to other methods, the lack of restrictions on the number of dihedrals that can be altered simultaneously is a major advantage, along with the computational efficiency achieved by requiring diagonalization of a small matrix and energetic contextualization of motion modes using the elastic network model.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Physical
Silvia Antonia Brandan
Summary: Vibrational assignments for various species derived from antiviral adamantadine were successfully completed using a combination of computational methods. The hydrochloride species showed the highest reactivity in both gas phase and aqueous solution, while the cationic species exhibited the lowest reactivity. Good concordance was observed between experimental and predicted results.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Article
Spectroscopy
John De Vos, Benjamin Schroeder, Guntram Rauhut
Summary: The (ro)vibrational spectra of thiirane, c-C2H4S, and its deuterated isotopologue, c-C2D4S, were studied using vibrational configuration interaction theory (VCI) and variational rovibrational calculations (RVCI) with high-level predictions. Accurate geometrical parameters, fundamental vibrational transitions, rovibrational spectra, and rotational spectroscopic constants were determined and compared with experimental results. Additionally, a new implementation of infrared intensities within the VCI framework was tested and compared with standard VCI calculations.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Multidisciplinary
Seda Gunesdogdu Sagdinc, Banu Kevser Akcay, Salih Zeki Yildiz, Ilknur Baldan Isik
Summary: A single crystal of 5-nitro-2-oxindole was characterized through X-ray structural determination, vibrational frequencies, and UV-vis analysis. The crystal structure belongs to a monoclinic crystal system with a P12(1)/n1 space group, with major contribution from the OMIDLINE HORIZONTAL ELLIPSISH interaction. Non-covalent interaction analysis and investigation on solubility in different solvents were also conducted, along with theoretical studies on molecular structure, electronic properties, and vibrational spectra using DFT method.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Victor Rodriguez Martin-Aragon, Francisco Romero Millan, Cristina Cuadrado, Antonio Hernandez Daranas, Antonio Fernandez Medarde, Jose M. Sanchez Lopez
Summary: In this study, the actinobacterium Streptomyces griseorubiginosus was cultivated under diverse conditions using the OSMAC approach. As a result, 23 secondary metabolites were isolated, including five unprecedented compounds. Notably, the detection of these novel compounds was exclusively achieved when the bacterium was cultured in FA-1 liquid medium supplemented with the epigenetic modifier gamma-butyrolactone.
Article
Chemistry, Organic
Seraj Ahmad, Manoj Kumar, Km. Garima, Akram Ali, Himanshu Arora, S. Muthu, Saleem Javed
Summary: In this study, a comprehensive investigation of 2-phenylthioanline was conducted using various experimental and computational methods. The obtained results were in good agreement with experimental data. The spectroscopic and electronic properties were examined by comparing the experimental and computational results.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Physical
Hulya Gunes Ates, Omer Kaygili, Niyazi Bulut, Fatih Osmanlioglu, Serhat Keser, Beyhan Tatar, Bahroz Kareem Mahmood, Tankut Ates, Filiz Ercan, Ismail Ercan, Burhan Ates, Imren Ozcan
Summary: The present study aims to provide a detailed report on the properties of hydroxyapatites (HAps) co-doped with Sr and Ce at different amounts, including structural, thermal, magnetic, and in vitro cell viability properties. The study includes experimental analyses as well as theoretical calculation results. All the samples exhibited diamagnetic behavior and high cell compatibility, and showed thermally stable behavior. The amount of co-dopants affected the mass change mechanism, specific heat capacity, bandgap value, and linear absorption coefficient.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Moritz Schneider, Guntram Rauhut
Summary: Aminoborane and its isotopologues have been studied using high-level ab initio methods. The calculations provide insights into their rotational constants, centrifugal distortion constants, vibrationally averaged geometrical parameters, and vibrational frequencies. Gas phase spectra simulations reveal detailed information about the nu(7) band of aminoborane.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Alaa Fahmy, Mohamed Abou-Saied, Hisham Helaly, Farid El-Dessoki, Tarek A. Mohamed
Summary: A modified composite membrane was prepared using different ratios of PVA and MTMS, resulting in improved thermal and mechanical properties compared to pristine PVA. The study also examined the crystallinity and morphological changes of the composite materials. Based on the experimental findings, a three-dimensional structure of SiOC linked network was proposed.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Environmental Sciences
Elsayed T. Helmy, Elsayed M. Abouellef, Usama A. Soliman, Jia Hong Pan
Summary: S-doped TiO2 nanoparticles were synthesized using a green extract as a medium, showing improved photocatalytic and antibacterial activities. The nanoparticles exhibited a red shift in the visible light region and higher efficiency in degrading organic compounds and inhibiting bacterial growth.
Article
Chemistry, Physical
Ahmed M. Abuelelaa, Mahmoud A. Bedair, Wajdi M. Zoghaib, Lee D. Wilson, Tarek A. Mohameda
Summary: The molecular structure and vibrational frequencies of 4,5-Dicyanoimidazole (DCI) were analyzed using UV-visible-Raman and FT-ATR/FT-infrared spectroscopy. The corrosion inhibition efficiency of DCI towards mild steel in HCl solution was investigated experimentally and theoretically, with good correlation between theoretical calculations and experimental measurements achieved.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Tarek A. Mohamed, Ibrahim A. Shaaban, Usama A. Soliman, Wajdi M. Zoghaib
Summary: The structure and properties of 2-hydroxy-5-nitropyridine in solid phase and solution were studied through experimental and quantum mechanical calculations. The results indicate that the keto tautomer is more stable and better matches with the experimentally observed NMR and spectroscopic data.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Ahmed M. Abuelela, Usama A. Soliman, Gameel. A. M. El-hagali, Wajdi M. Zoghaib, Tarek A. Mohamed
Summary: 5-(4-Chlorophenyl)-3H-pyrazol-3-one (CPP) was synthesized by reacting 2-(piperidin-1-yl)acetamide, p-chlorobenzaldehyde, and hydrazine hydrate. Structural characterizations were conducted using various spectroscopic techniques, and the regioselectivity of the synthetic route was investigated using DFT calculations. Theoretical analysis matched well with experimental data, providing insights into molecular interactions and charge delocalization.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Mahmoud A. Bedair, Ahmed M. Abuelela, Wajdi M. Zoghaib, Tarek A. Mohamed
Summary: The study investigated the structure and properties of 6-Methyl-2-thiouracil through experimental and computational methods, finding that the keto-thione tautomer has higher stability in the gaseous phase. The compound exhibited a significant inhibition efficiency against mild steel iron corrosion, with inhibition rates ranging from 72% to 94%.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Ibrahim A. Shaaban, Mohammed A. Assiri, Tarik E. Ali, Tarek A. Mohamed
Summary: The study investigated the structure and tautomerism of 4-Methyl-2-hydroxyquinoline through Raman, mid-infrared spectra, and NMR techniques. Computational analysis favored the keto tautomer MQO, with detailed vibrational spectral data and structural parameters reported.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Applied
Elsayed T. Helmy, Usama A. Soliman, A. M. Elbasiony, Ba-Son Nguyen
Summary: In this study, a magnetically separated photocatalyst with high efficiency CuCe-Ferrite/TiO2 composite was prepared and characterized. The results showed that CuCe-Ferrite/TiO2 had a higher photodegradation efficiency for reactive red 250 dye and exhibited good regenerability.
TOPICS IN CATALYSIS
(2023)
Article
Chemistry, Physical
Rayya A. Al-Balushi, Idris Juma Al-Busaidi, Houda Al-Sharji, Ashanul Haque, Md. Serajul Haque Faizi, Necmi Dege, Muhammad S. Khan, Tarek A. Mohamed
Summary: In this study, the structures, photo-physical properties, and DFT computations of curcumin type diarylheptanoids were described. These compounds exhibited blue-shifted optical spectroscopic features and aggregation enhanced emission properties. The incorporation of halogen atoms improved the thermal stability of the compounds.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Materials Science, Multidisciplinary
Faizan Ali, Tarek Ali, Akmal Abbas, David Lehninger, Muhammad Faisal Iqbal, Mohammed M. Fadhali, Ibrahim A. Shaaban, Malte Czernohorsky, Konrad Seidel, Thomas Kaempfe
Summary: This study investigates the frequency-dependent polarization and phase switching of Si-doped HfO2-based metal-dielectric-metal capacitors with ferroelectric and antiferroelectric-like thin films, respectively. The Kolmogorov-Avrami-Ishibashi (KAI) and nucleation-limited switching models are used to analyze the polarization switching of Si-doped HfO2 ferroelectric thin films. Additionally, the energy storage properties of Si-doped HfO2 antiferroelectric thin films are examined over a wide measurement frequency range (50 Hz-100 kHz). The results show that both energy storage density and efficiency decrease with increasing frequency, while energy loss increases.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Samir Bondock, Tallah Albarqi, Ibrahim A. Shaaban, Moaz M. Abdou
Summary: In this study, novel differently substituted unsymmetrical azine-modified thiadiazole sulfonamide derivatives were designed and prepared using the combi-targeting approach for potential anticancer therapy. The E/Z configuration and chemical shifts of the synthesized compounds were determined through spectroscopic analysis and quantum mechanical calculations, which were consistent with experimental data, suggesting their existence in solution. The biological activities of the synthesized compounds were predicted using molecular reactivity descriptors and ADMT/drug-likeness properties.
Article
Chemistry, Multidisciplinary
R. Fouad, Ibrahim A. Shaaban, Tarik E. Ali, Mohammed A. Assiri, S. S. Shenouda
Summary: Novel and stable coordinating compounds were successfully isolated and characterized through various techniques. Experimental data matched well with theoretical calculations, indicating the bidentate nature of MCMT as a ligand forming chelates with metal ions. Thermal analysis and optical property studies further confirmed the structure and properties of the complexes.
Article
Spectroscopy
Zh. E. Ozbekova, A. A. Abdyldaev, A. A. Kulmyrzaev
Summary: This study compared two drying methods for cow and yak muscles, finding that freeze drying caused less discoloration. Additionally, analysis of fluorescence spectra allowed for accurate prediction of chemical composition and color characteristics of the muscles.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Leo Mandic, Ivan Ljubic, Iva Dzeba
Summary: In this study, a combined experimental and computational approach was used to investigate the photoexcitation and photodegradation mechanisms of Doxazosin (DOX). The results provide valuable insights into the primary events following the photoexcitation of DOX and its potential applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiufeng Wang, Yao Jin, Wenhui Ai, Siqi Wang, Zhiqing Zhang, Ting Zhou, Fang Wang, Guodong Zhang
Summary: This study successfully synthesized near infrared fluorescence Ag2S quantum dots (QDs) and developed a dual-mode sensor for sulfide anion using the excellent oxidase-like characteristics of manganese dioxide (MnO2) nanosheets. The sensor showed a wider detection range, higher sensitivity, and shorter reaction time, making it suitable for highly selective detection of sulfide in different concentration ranges.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yafei Li, Yanming Ma, Chuantao Zheng, Di Yu, Lien Hu, Shuo Yang, Fang Song, Yadan Li, Shuanghai Liu, Zhanrui Zhang, Yu Zhang, Yiding Wang, Frank K. Tittel
Summary: To effectively monitor gas explosion and coal spontaneous combustion in coal mine, an intrinsically safe and explosion-proof dual-gas sensor system was developed for methane (CH4) and carbon monoxide (CO) measurement. The system achieved different measurement ranges using laser scanning and gas cells, and improved stability and accuracy through gas pre-treatment and temperature compensation algorithm.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Pei-Rong Chen, Li-Kang Chu
Summary: In this study, the hydrates of glyoxal were investigated using infrared absorption spectrometry. The results showed that at low concentrations, glyoxal mainly exists as monomeric dihydrate. These findings provide suitable detection windows for further research on the roles of glyoxal and its hydrates in atmospheric and aerosol chemistry, as well as the relevant reaction kinetics.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Nichole O'Neill, Thamires A. Lima, Fabio Furlan Ferreira, Nicolas J. Alvarez, Reinhard Schweitzer-Stenner
Summary: This study determines the main fibril axis of GHG gel-forming fibrils using various techniques and compares the results with simulated data. The analysis suggests that the hydrophobic xz-surfaces of GHG fibrils could be a good target for the adsorption of hydrophobic drugs.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Mengyuan Liu, Hanchuang Zhu, Yikun Fang, Caiyun Liu, Xinke Li, Xiaohui Zhang, Lixue Ma, Kun Wang, Miaohui Yu, Wenlong Sheng, Baocun Zhu
Summary: ABHS is an efficient fluorescent probe that can accurately and sensitively detect Al3+ with strong resistance to interference. It also demonstrates excellent detection and imaging capabilities in complex real samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Ahmed S. El-Shafie, Evana Rahman, Yasser Gadelhak, Rehab Mahmoud, Marwa El-Azary
Summary: The recycling of waste mandarin peels into biochar (MRBC) has been used as a high performance and cost-effective adsorbent for treating polluted wastewater effluents. Batch adsorption studies were conducted to analyze the adsorption competency of MRBC on two dyes, methylene blue (MB) and basic fuchsin (BF), either in individual solutions or binary combinations. The results showed that MRBC was capable of effectively removing a high percentage of both dyes. However, the adsorption capacity decreased when the dyes were combined. The cost estimation of MRBC production and wastewater treatment indicated that both were relatively low.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Anindita Bhatta, Jahnabi Upadhyaya, Dipak Chamlagai, Lincoln Dkhar, Pynskhemborlang T. Phanrang, Mohan Rao Kollipara, Sivaprasad Mitra
Summary: Derivatives of thiazole-pyrazole fused benzo-coumarin compounds were synthesized and their photophysical properties were investigated. The synthesized coumarin compounds showed potential as therapeutic agents for Alzheimer's disease, inhibiting acetylcholinesterase activity. The presence of human serum albumin was found to affect the inhibition activity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yongwei Duan, Quancheng Liu, Yiju Zhu, Qi Zhang, Xiaohui Duan, Hu Deng, Liping Shang
Summary: In this study, the phase transition of CL-20 was observed using terahertz spectroscopy, and quantum chemical calculations were employed to analyze the vibrations. The results indicated changes in the vibrations of CL-20 before and after phase transition.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yuefeng Gao, Sai Xu, Baojiu Chen
Summary: This study synthesized Cs2NaInCl6 nanocrystals co-doped with Sb3+ and Tb3+ ions as probes for copper ions detection in lubricating oil. The introduction of Sb3+ effectively reduced the band gap of the host material and enabled energy transfer pathway for Tb3+ emission. The doped Tb3+ ions resulted in the suppression of emission due to electron transfer. The Cs2NaInCl6: 2.5 %Sb3+, 40 %Tb3+ NCs exhibited superior sensitivity and selectivity for copper ions detection.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yu Liu, Yue Zhang, Changyao Liu, Ce Wang, Baocai Xu, Li Zhao
Summary: A highly sensitive detection platform for heparin was developed using a cationic fluorescent dye (cresyl violet acetate) as a fluorescence probe. The platform demonstrated high selectivity towards heparin and achieved detection in both HEPES solution and serum.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Lopamudra Roy, Nivedita Pan, Susmita Mondal, Ria Ghosh, Md. Nur Hasan, Neha Bhattacharyya, Soumendra Singh, Kallol Bhattacharyya, Arpita Chattopadhyay, Samir Kumar Pal
Summary: The study focuses on the interaction between reactive oxygen species (ROS) and a spectroscopic probe called Rose Bengal (RB), encapsulated in nanoscopic sodium dodecyl sulphate (SDS) micelles and entrapped in microscopic nylon 66 solid matrix. The research demonstrates efficient interaction between ROS and RB-SDS, and investigates the mechanism of hydroxyl radicals generation. Based on these findings, a prototype device utilizing RB embedded in a nylon thin film for quantification of ROS in extracellular fluids and food materials was developed.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiaosong Sun, Qihao Cui, Wenyue Dong, Qian Duan, Teng Fei
Summary: Conjugated porous polymers (CPPs) are promising sensing materials and their application in aqueous media is limited. In this study, we synthesized CPPs with porous structure and prepared nanoparticles, enabling efficient photoluminescence sensing of nitroaromatic explosives in aqueous phase.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Maria Cristina Caggiani, Germana Barone, Paolo Mazzoleni
Summary: Raman spectroscopy is commonly used for studying glassy materials in cultural heritage, but it is more difficult to interpret the spectra and apply the technique with portable instruments. In contrast, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) can be used in archaeometric investigations as it is portable and non-invasive. However, there is limited application of this technique to historical glasses. This exploratory work demonstrates the potential of DRIFTS, in combination with portable X-ray Fluorescence (pXRF) and EDS microanalyses, for studying the composition and alteration of glass samples in cultural heritage.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)