Article
Optics
Linxuan Li, Siqi Zhu, Lu Cheng, Hongsheng Qi, Yu Fan, Wei Zheng
Summary: Raman and infrared reflectance spectroscopy were used to study GaN single crystals with different doping types and carrier concentrations. The characteristic spectra related to the carrier concentration were observed and fitted to obtain the accurate carrier concentration of the GaN crystals, which agreed well with the results from Hall measurement.
JOURNAL OF LUMINESCENCE
(2022)
Article
Biochemistry & Molecular Biology
Jose Angel Martinez-Gonzalez, Prithwish K. K. Nandi, Niall J. J. English, Aoife Gowen
Summary: Classical molecular-dynamics simulations were used to investigate the interaction between ubiquitin and its hydration-water sub-layers. The results showed that the first solvation sub-shell exhibited confined characteristics, while layers further from the surface demonstrated bulk-like spectral behavior within a range of 6-7 angstrom.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Hanan Sa'adeh, Awad E. A. Mohamed, Robert Richter, Marcello Coreno, Feng Wang, Kevin C. Prince
Summary: The electronic structure of ammonia-borane has been investigated using various spectroscopic techniques, and the results are consistent with previous calculations and experiments.
Article
Chemistry, Inorganic & Nuclear
Shu-Sheng Xin, Yan-Ling Deng, Chun-Yang Pan
Summary: This study reports the synthesis of three nickel borate compounds with adjustable structures. The compounds exhibit different interlinkage modes and channels with varying sizes and shapes. They also demonstrate different wide band gaps and oxygen reduction reaction (ORR) activities.
DALTON TRANSACTIONS
(2022)
Article
Spectroscopy
H. Brueckner, S. Hoefer
Summary: This study presents the first complete dispersion analysis of a sucrose single crystal in the infrared spectral region, utilizing naturally grown crystal faces. The dielectric tensor function and oscillator parameters were confirmed through forward calculation of reflection spectra of different orientations. The reliable growth of large-sized sucrose crystals positions them as candidates for doping with photonically active materials.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Physics, Applied
Bingbing Wang, Yulu Chen, Wulin Tong, Yangzhou Zhou, Jiajia Tao, Zewen Wang, Zuoru Dong, Hong Zhou, Zhanglong Fu, DiXiang Shao, Xiaodong Wang, Juncheng Cao
Summary: This study presents a novel blocked-impurity-band hybrid structure for terahertz radiation detection. The modulation effect of sub-wavelength metal grating on light absorption is analyzed, and the optical absorption and spectral response of the hybrid structure detectors are simulated. The results show selective absorption amplification and filtering effects, as well as significant absorption enhancement at specific wavelengths.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Frederik Bader, Sebastian Riedel, Helmut Beckers, Carsten Mueller, Jean Christophe Tremblay, Beate Paulus
Summary: This paper explores the interaction between rare gas matrices and trifluoride guest anions through theoretical modeling, shedding light on the origin of observed matrix effects. The study reveals the structural variability in hosting trifluoride in neon and argon matrices, highlighting the importance of theoretical modeling to complement experimental observations.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Food Science & Technology
Yeison Fernando Barrios-Rodriguez, Cristhian Andres Rojas Reyes, Joan Sebastian Triana Campos, Joel Giron-Hernandez, Juan Rodriguez-Gamir
Summary: This study complemented the sensory evaluation of Specialty coffee using FTIR and chemometrics, which effectively discriminated and identified different post-harvest treatments for green beans, medium roast coffee, and dark roast coffee.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Physical
Philipp C. Schmid, Oskar Asvany, Thomas Salomon, Sven Thorwirth, Stephan Schlemmer
Summary: Leak-out spectroscopy (LOS) is a novel method of spectroscopy in ion traps where mass-selected, cold ions are excited by an infrared laser and their internal energy is transferred to kinetic energy through collisions with neutral buffer gas particles. The potential of LOS is demonstrated for the first time by recording rotationally resolved spectrum of C-H stretching vibration nu 1 of linear C3H+.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Dongqing Kong, Tonghui Cai, Haodong Fan, Haoyu Hu, Xiaohui Wang, Yongpeng Cui, Dandan Wang, Yesheng Wang, Han Hu, Mingbo Wu, Qingzhong Xue, Zifeng Yan, Xuejin Li, Lianming Zhao, Wei Xing
Summary: Aluminum ion batteries (AIBs) have potential for energy storage, but current graphite cathode materials are limited. A new type of cathode materials, polycyclic aromatic hydrocarbons (PAHs), specifically anthracene, show high specific capacity and cycle stability, providing a promising option for AIBs.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yangyu Zhou, Wei Fang, Lina Wang, Xiaoqing Zeng, Dong H. Zhang, Mingfei Zhou
Summary: We report the presence of concerted heavy-atom tunneling in an oxygen-oxygen bond breaking reaction from cyclic beryllium peroxide to linear dioxide in a cryogenic Ne matrix, supported by temperature-dependent reaction kinetics and large kinetic isotope effects. Furthermore, we demonstrate that the tunneling rate can be influenced by noble gas atom coordination on the electrophilic beryllium center. Quantum chemistry and instanton theory calculations reveal that noble gas coordination stabilizes the reactants and transition states, leading to higher barrier heights and widths, thus significantly reducing the reaction rate.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Mathematics, Applied
Jean-Guy Caputo, Imene Khames, Arnaud Knippel
Summary: This paper studies a network with cubic couplings and shows the extension of nonlinear periodic orbits from specific eigenvectors of the graph Laplacian, called nonlinear normal modes. The authors present different categories of graphs that can exhibit this phenomenon. Finally, the stability of these solutions for chains and cycles is studied.
Article
Materials Science, Ceramics
J. J. Mao, S. K. Zhu, G. Q. Zhang, X. Chen, L. T. Chen, F. Yang, K. M. Qin, T. S. Wang, H. B. Peng
Summary: In this study, borosilicate glasses were doped with strontium oxide and zirconium dioxide to simulate the effect of beta decay on vitrified materials. The structural changes were characterized using various techniques. The results showed that the increase in zirconium dioxide concentration led to a decrease in hardness and modulus, an increase in [BO3] units, and a decrease in Si-O-Si bonds. It was concluded that the real effect of beta decay cannot be accurately simulated by external electron irradiation alone and the changes in composition caused by the decay should not be ignored.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Review
Chemistry, Multidisciplinary
Abid Anjum Sifat, Junghoon Jahng, Eric O. Potma
Summary: Photo-induced force microscopy (PiFM) is a scan probe technique that provides images with spectroscopic contrast at a nanometer spatial resolution. By utilizing the enhanced near field at the tip apex, PiFM can extract the additional force induced by the local polarization in the sample, generating photo-induced force maps. Since its inception, PiFM has become a useful nano-spectroscopic tool with expanding imaging capabilities and applications.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Chemistry, Physical
Bedabyas Behera, Yuan-Pern Lee
Summary: This study investigated the mechanism and kinetics of the reaction between CH3CHOO and HC(O)OH. The results showed that this reaction has a large rate coefficient and produces hydroperoxyethyl formate and formic acetic anhydride as the end products. This research is important for further understanding the formation mechanism of secondary organic aerosols in the atmosphere.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
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)