Article
Spectroscopy
You Li, Bifa Cao, Qiao Zhou, Xin Zhang, Bo Li, Xing Su, Ying Shi
Summary: In this study, density functional theory and time dependent density functional theory were used to investigate the photophysical processes of BIDOP in different solvents. It was found that the TICT process is inhibited in CHX solvent, leading to higher fluorescence intensity compared to THF solvent.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Alexandra Deriabina, Tatiana Prutskij, Leticia Castillo Trejo, Maria Patricia Sanchez Gutierrez, Eduardo Gonzalez Jimenez
Summary: The study investigates the dissolution process of Morin (M) by measuring the fluorescence emission spectra of M solutions prepared with different solvents and comparing them with M powder and M crystals. The results suggest that the fluorescence emission is mainly due to electronic transitions in different forms of M molecules in low-concentrated solutions and aggregated states. Additionally, the time evolution of the fluorescence spectra of M solutions is observed, measured and explained for the first time.
Article
Chemistry, Physical
R. Shanmugapriya, P. Saravana Kumar, C. Nandhini, K. N. Vennila, Mehboobali Pannipara, Abdullah G. Al-Sehemi, Kuppanagounder P. Elango
Summary: A new pyrene-based chemodosimeter (RS3) for the detection of bisulphite ion in DMSO:Na2HPO4/citric acid buffer has been designed and synthesized, showing promising fluorescent properties and high selectivity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Kuan Liu, Yuhan Wei, Jinyao Xu, Lingfei Qiu, Shaping Hu, Jiayi Wan, Juhua Feng
Summary: The novel conjugated polymer PFCZ-IM containing 2-(thiophen-2-yl)-1H-benzo[d]imidazole units was synthesized and characterized. It showed high sensitivity to Fe3+, Ag+ and Cu2+ during fluorescence recognition. The binding of the 2-(thiophen-2-yl)-1H-benzo[d]imidazole moiety to Cu2+ was investigated by density functional theory calculation, and [PFCZ-IM-Cu2+] exhibited 'turn on' fluorescence characteristics in the presence of cysteine (Cys).
POLYMER INTERNATIONAL
(2021)
Article
Materials Science, Multidisciplinary
Chengjian Chen, Kok Chan Chong, Yutong Pan, Guobin Qi, Shidang Xu, Bin Liu
Summary: Research indicates that the origin of carbazole has a significant impact on the photoluminescence quantum yield of its derivatives. Commercially sourced carbazole activates efficient radiative transition pathways, leading to a substantial increase in quantum yield.
ACS MATERIALS LETTERS
(2021)
Article
Spectroscopy
Liu Dong, Si-Jia Wang, Gong Bo, Shi Lei, Guang-Yue Li
Summary: The study used density functional theory to investigate the sensing mechanism of a fluorescence probe for cysteine and other thiols, showing that the probe molecule had different geometries in different excited states and exhibited stronger fluorescence in the presence of thiols. This can be attributed to the photoisomerization process and the distinct excited-processes of the probe, allowing it to effectively detect thiols through monitoring fluorescent changes.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Ola R. Shehab, Ahmed M. Mansour
Summary: This study prepared a series of benzimidazole derivatives with different substituents and tested their antimicrobial activity, showing that substituents greatly affect antibacterial activity and spectroscopic data. The relationship between substituents and electron structure can be explained by chemical parameters.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
C. Nandhini, P. Saravana Kumar, R. Shanmugapriya, K. N. Vennila, Abdullah G. Al-Sehemi, Mehboobali Pannipara, Kuppanagounder P. Elango
Summary: Selective detection of sulfite and bisulfite ions using anthracene-based compounds as chemodosimeters is achieved through nucleophilic addition and termination of PET process. The detection mechanism is supported by various analytical techniques, and the probe shows promising results in real sample analysis.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Physical
C. Nandhini, P. Saravana Kumar, R. Shanmugapriya, K. Satheeshkumar, K. N. Vennila, Abdullah G. Al-Sehemi, Mehboobali Pannipara, Kuppanagounder P. Elango
Summary: This study investigates the fluorescent detection mechanism of Al(III) by a new Schiffbase (CN3) in an aqueous solution through spectroscopic investigation and Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) calculations. The synthesis and characterization of CN3 are performed using H-1 and C-13 NMR and mass spectral techniques. The results show that CN3 can serve as an efficient probe for highly selective and sensitive Al(III) detection without interference from other cations and anions. The mechanism of fluorescence enhancement upon binding with Al(III) is attributed to the formation of a chelate complex between CN3 and Al(III). The binding constant and coordination mode are determined, and the optical properties are corroborated using computational calculations.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Xingwen Wang, Chenyu Wu, Zikuan Wang, Wenjian Liu
Summary: In this work, the fluorescence characteristics of open-shell molecules and their differences from closed-shell molecules were studied. Results obtained from the X-TDDFT and SDSPT2 methods showed good agreement with experimental data, and significant improvements of X-TDDFT over U-TDDFT were observed in terms of vertical excitation energies and adiabatic energy differences. The excited states and relaxation pathways of copper(II) porphyrin were also investigated, confirming the emission of thermally activated delayed fluorescence (TADF) and a small amount of phosphorescence at low temperature.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Organic
Ya Li, Xing Chen, Wenying Zhang, Junzheng Zhang, Liang Xu, Yali Qiao, Kanglei Liu, Nan Wang, Pangkuan Chen, Xiaodong Yin
Summary: Researchers have prepared a series of compounds with strong photoluminescence, one of which shows potential application in bioimaging.
Article
Chemistry, Physical
Aparna G. Nair, Arathi Das, Nayana Edavan Chathoth, Manash Pratim Sarmah, Padmesh Anjukandi
Summary: This study investigates the effect of chemical tailoring on the optical and photophysical properties of CzBP and finds that the introduction of a single -NO2 group or di-substitution can make it a potential TADF-active emitter. The study also reveals the change in the TADF mechanism due to the chemical modification of CzBP-LUMO.
Article
Chemistry, Inorganic & Nuclear
K. Satheeshkumar, C. Nandhini, R. Shanmugapriya, K. N. Vennila, Kuppanagounder P. Elango, P. Saravana Kumar
Summary: The enzyme cofactor PQQ can be used for sequential detection of Hg(II) and halide ions in water. It detects Hg(II) through fluorescence quenching and exhibits excellent turn-on fluorescence to halide ions.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Patricia A. A. M. Vaz, Joao Rocha, Artur M. S. Silva, Samuel Guieu
Summary: Benzimidazole-based boranils were designed and synthesized to evaluate the impact of halogen substituents on their optoelectronic properties. The newly synthesized boranils emit at lower wavelength compared to the free ligands, exhibiting deep blue emission in the solid state, which is desirable for the development of blue-emitting materials.
Article
Chemistry, Analytical
Tatiana Prutskij, Alexandra Deriabina, Francisco J. Melendez, Maria Eugenia Castro, Leticia Castillo Trejo, German D. Vazquez Leon, Eduardo Gonzalez, Tatiana S. Perova
Summary: The study investigated the fluorescence properties of quercetin (Q) solutions prepared in different solvents, revealing characteristic peaks for high concentration Q solutions and solid Q, with only one peak observed at low concentrations, all associated with proton transfer.
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)