Article
Physics, Multidisciplinary
Bhavna Pal, Mirtunjai Mishra, Devendra Singh, Devesh Kumar
Summary: In this work, the molecular properties of HAT4 and halogenated HAT4 were investigated using density functional theory. The effect of halogenation on electro-optical and global parameters, as well as frontier molecular orbitals, were analyzed. The study provides insights into the influence of halogenation on HAT4 molecules and their nonlinear properties.
Article
Engineering, Electrical & Electronic
Fatima Sarwar, Shabbir Muhammad, Shafiq-urRehman, Shamsa Bibi, Abdullah G. Al-Sehemi, H. Algarni, Santosh Kumar
Summary: In this study, the optical and nonlinear optical properties of quinoidal oligomers with different arrangements and shapes of thiophene rings were investigated through heteroatom substitution using quantum computational methods. The substitution of oligomer chain showed significant effects on linear polarizability and hyperpolarizabilities. Additionally, the analysis of charge transfer and density of states demonstrated the importance of heteroatom substitutions in achieving a strong second hyperpolarizability response.
OPTICAL AND QUANTUM ELECTRONICS
(2022)
Article
Materials Science, Multidisciplinary
Chenchen Tu, Abudukadi Tudi, Wenqi Jin, Congwei Xie, Zhihua Yang
Summary: Investigated the polarizability characteristics of low-dimensional anionic frameworks and designed a new borate fluoride system with deep-UV phase-matching capability, providing new guidance for exploring novel NLO materials.
SCIENCE CHINA-MATERIALS
(2023)
Article
Metallurgy & Metallurgical Engineering
Meenakshi Rana, Pooja Yadav, Papia Chowdhury
Summary: In this study, the nonlinear optical response of the organic compound acetylsalicylic acid was explored computationally using density functional theory and various analysis methods. The compound, with its non-centrosymmetric structure and extended conjugated p-system, exhibited a high dipole moment in the optimized structure, charge transfer, high Raman activity, and high polarizability and first order hyperpolarizability values. These findings validate acetylsalicylic acid as a strong candidate for future use as a nonlinear optical active material.
INTERNATIONAL JOURNAL OF MATERIALS RESEARCH
(2023)
Article
Chemistry, Physical
Fehmi Bardak, Cemile Bardak
Summary: This study investigates the electronic structure, inter-ionic interactions, and optical properties of 1-butyl-3-methylimidazolium dicyanamide ionic liquid using modeling and computational methods. The research findings reveal the unique bonding interactions between the anion and cation, as well as the potential of this ionic liquid in electro-optical applications. The calculated nonlinear optical parameters provide valuable insights into the wavelength dependence of the material's optical properties.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Fehmi Bardak, Cemile Bardak, Caglar Karaca, Etem Kose, Sibel Bilgili, Ahmet Atac
Summary: Nonlinear optical phenomena in ionic liquids are crucial, especially under strong electric fields. The physicochemical properties of ionic liquids are influenced by the variability of anion-cation pairs. This study investigated the electric field-induced characteristics of eight ionic liquids and analyzed their electrostatic characteristics by obtaining molecular orbitals, electrostatic potential surfaces, and electron density difference maps.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Santosh Kumar, Shabbir Muhammad, Abdullah G. Al-Sehemi, Saleh S. Alarfaji, Jay Singh, H. Algarni, Joonseok Koh
Summary: Computational and experimental techniques were used to synthesize and characterize naphthalimide Bis-Schiff bases (5a) and (5b). The properties of the synthesized compounds were successfully characterized using UV-visible, fluorescence, FT-IR, and H-1 NMR spectroscopies. Additionally, quantum chemical studies were performed to investigate their molecular structures and NLO response properties. The results suggest that Bis-Schiff bases hold promise for use in electronic, optoelectronic devices, and biosensors.
Article
Chemistry, Multidisciplinary
Ehsan Ullah Mughal, Nafeesa Naeem, Samia Kausar, Munirah M. Al-Rooqi, Rabab S. Jassas, Amina Sadiq, Ataf Ali Altaf, Rami J. Obaid, Saleh A. Ahmed
Summary: This study presents a theoretical investigation on the substituted benzalacetophenone molecules, evaluating their first- and second-order hyperpolarizability parameters for potential non-linear optical applications. Spectroscopic characterizations were performed through calculations of various spectra, and quantum chemical parameters were obtained by analyzing frontier molecular orbital energies. The results suggest that chalcone derivatives with rational substitution may possess promising non-linear optical properties.
Article
Chemistry, Physical
Qin Ai Wong, Ching Kheng Quah, Xin Ai Wong, Shivaraj R. Maidur, Huey Chong Kwong, Yip-Foo Win, Parutagouda Shankaragouda Patil, Neelamma B. Gummagol
Summary: This work focused on the relationship between molecular structure and non-linear optical (NLO) property of the chalcone derivatives. Through push-pull effect, donor-acceptor substitutions were made on both rings to develop excellent NLO materials. Three new crystals of 2-chloro-4-fluorochalcone derivatives with different donor end groups were synthesized to evaluate the donor dependence of their second-order hyperpolarizability. The grown crystals were confirmed and analyzed, and their intermolecular interactions were visualized. The electronic absorption spectrums were investigated to discuss the impact of intramolecular charge transfer and energy gap on NLO properties. Theoretical electronic properties were compared with experimental results. Thermally-induced NLO parameters were measured, and the solution samples showed promising NLO performance.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Mohammed A. Alkhalifah, Nadeem S. Sheikh, Yasair S. S. Al-Faiyz, Imene Bayach, Ralf Ludwig, Khurshid Ayub
Summary: This study presents the electronic and nonlinear optical properties of endohedral metallofullerenes. The endohedral metallofullerenes, encapsulating transition metals in inorganic fullerenes, exhibit interesting geometric and electronic properties. The endohedral metallofullerenes encapsulating Al12N12 are true metalides or excess electron systems with diverse electronic and nonlinear optical properties. These complexes show high nonlinear optical response and may have potential applications in nonlinear optics.
Article
Engineering, Electrical & Electronic
Shradha Lakhera, Meenakshi Rana, Kamal Devlal
Summary: The paper reports the enhanced nonlinear optical (NLO) activity of 2-nitrotoluene (2NT) after substituting halogens (F, Cl, Br, and I) at the para position of the benzene ring. Computational details using density functional theory and contour plots establish the engagement of electrophilic and nucleophilic regions in molecules. Mulliken charge analysis and frontier molecular orbital parameters verify the high reactivity of 2NT molecule after substitution. Time-dependent density functional theory is used to analyze electronic properties through absorption and emission spectra calculations. Raman intensity modes and absorbance intensity curves highlight the highest reactivity in iodine-substituted 2NT (2NT-I). 2NT-I also exhibits the lowest band gap and highest polarizability parameters among the molecules, correlating well with the charge and spectral findings.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Chemistry, Multidisciplinary
Godwin Agbor Tabi, Lekene Ngouateu Rene Blaise, Kouotou Daouda, Ankoro Naphtali Odogu, Abega Aime Victoire, Ndi Nsami Julius, Ketcha Joseph Mbadcam
Summary: In recent years, the study of effective and sustainable amendments to combat auxiliary industrial entities has gained global attention. Non-linear modeling is used to avoid information loss, and the application of activated carbon/volcanic ash composites is significant for pollution issues.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
Article
Engineering, Electrical & Electronic
Shabbir Muhammad, Fatima Sarwar, Saleh S. S. Alarfaji, Abdullah G. G. Al-Sehemi, Muhammad Adnan, Santosh Kumar, Aijaz Rasool Chaudhry
Summary: We conducted a systematic study on the optical and nonlinear optical (NLO) properties of various cyclopentadithiophene (CPDT) derivatives using quantum chemical calculations. Through density functional theory (DFT) methods, we computed the dipole moment, linear isotropic and anisotropic polarizability, and second-order and third-order NLO polarizability of the designed derivatives. Our results showed that the incorporation of different electron donor and acceptor moieties significantly affected the overall NLO polarizability. We also found that the V-shaped structure of the designed compounds led to a larger nonlinear anisotropy. The high NLO polarizability of these CPDT derivatives makes them promising for optical and NLO applications.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Chemistry, Physical
Vandana Kumari Shukla, Suryapratap J. Sharma, Nagaiyan Sekar
Summary: Using density functional theory (DFT) and time-dependent DFT methods, the properties of four donor-pi-acceptor (D-pi-A) type sensitizers were investigated. The introduction of auxiliary acceptor and spacer bridge was found to have significant effects on the band gap. The experimentally determined light harvesting efficiency (LHE) was correlated with calculated global descriptors, showing a direct relation with electrophilicity index and an inverse relation with hyperhardness.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Raphael F. F. Ligorio, Jose L. Rodrigues, Anna Krawczuk, Leonardo H. R. Dos Santos
Summary: Since experimental methods cannot provide properties of atoms or functional groups in bulk materials, computational methods based on partitioning schemes have become a rapid and accurate approach to estimate materials behavior. In this study, a database containing distributed polarizabilities and dipole moments extracted from peptides was proposed, and its accuracy was validated through comparisons with experimental results.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Muhammad Imran Abdullah, Asima Hameed, Ning Zhang, Md Hujjatul Islam, Mingming Ma, Bruno G. Pollet
Summary: A new nickel-based catalyst was developed for efficient methanol oxidation to form formic acid at a lower oxidation potential. This catalyst also efficiently prevents CO poisoning and maintains stable activity at high current densities.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Asif Mahmood, Ahmad Irfan, Jin-Liang Wang
Summary: This study investigates the effect of nitrogen substitution on the performance of small molecule acceptors in organic solar cells. The results suggest that nitrogen substitution at the end-capping group is a better strategy for designing efficient small molecule acceptors.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Lai Wang, Qiaoshi An, Lu Yan, Hai-Rui Bai, Mengyun Jiang, Asif Mahmood, Can Yang, Hongfu Zhi, Jin-Liang Wang
Summary: The synthesis of two new hetero-dihalogenated terminals with a fluorine/chlorine or fluorine/bromine pair, along with three NFAs incorporating these terminals, led to the achievement of high-performance OSCs. The presence of a fluorine/chlorine hetero-dihalogenated terminal resulted in the most planar molecular geometry, shortest intermolecular packing distance, and largest pi-pi electronic coupling among the acceptors, leading to improved crystallinity, phase separation, charge mobility, and recombination for enhanced power conversion efficiency of up to 17.52%.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Asif Mahmood, Ahmad Irfan, Jin-Liang Wang
Summary: Organic solar cells are the most promising candidates for future commercialization. A multidimensional design and discovery pipeline is introduced to systematize materials discovery and reduce dependence on experimentation. Machine learning models are trained to predict various properties, and more than 5000 new small molecule acceptors are designed and screened. The best predicted power conversion efficiency (PCE) is over 15%, paving the way for cost- and time-efficient discovery of novel materials.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Review
Polymer Science
Asif Mahmood, Ahmad Irfan, Jin-Liang Wang
Summary: Machine learning is a powerful tool that can revolutionize material science and aid the design and screening of materials for polymer solar cells. Despite facing challenges, it remains an important aspect of data science applications.
CHINESE JOURNAL OF POLYMER SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Lu Yan, Heng Zhang, Qiaoshi An, Mengyun Jiang, Asif Mahmood, Min Hun Jee, Hai-Rui Bai, Hong-Fu Zhi, Shaowen Zhang, Han Young Woo, Jin-Liang Wang
Summary: In this study, we synthesized new small molecular acceptors with different hetero-halogenated terminals, and found that the difluoro-monochloro hetero-terminal can achieve a more compact molecular packing and better photovoltaic performance.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Hai-Rui Bai, Qiaoshi An, Hong-Fu Zhi, Mengyun Jiang, Asif Mahmood, Lu Yan, Ming-Qiao Liu, Yan-Qiang Liu, Yan Wang, Jin-Liang Wang
Summary: In this study, a family of polymer donors for organic solar cells (OSCs) was synthesized using a ternary copolymerization approach. The terpolymer D18-20%Cl, with an appropriate proportion of chlorinated monomer, demonstrated the best performance with improved morphology and charge transport when blended with Y6. This resulted in a top-ranked power conversion efficiency (PCE) of 18.28% for D18-20%Cl:Y6-based OSCs, the highest reported PCE for terpolymer-based binary OSCs.
ACS ENERGY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Mustafa Khan, Asima Hameed, Abdus Samad, Talifhani Mushiana, Muhammad Imran Abdullah, Asma Akhtar, Raja Shahid Ashraf, Ning Zhang, Bruno G. Pollet, Udo Schwingenschlogl, Mingming Ma
Summary: This study reports the in-situ fabrication of oxygen-vacancies-rich CuO nanosheets on a copper foam for the selective electrooxidation of low-molecular-weight aliphatic alcohols. The oxygen vacancies efficiently regulate the surface chemistry and electronic structure, providing abundant active sites and enhancing charge transfer. The resulting monolith electrode exhibits excellent stability and high activity, making it suitable for practical industrial production.
COMMUNICATIONS CHEMISTRY
(2022)
Article
Chemistry, Physical
Mengyun Jiang, Hong-Fu Zhi, Bao Zhang, Chucheng Yang, Asif Mahmood, Miao Zhang, Han Young Woo, Fujun Zhang, Jin-Liang Wang, Qiaoshi An
Summary: In this study, a new acceptor L8-BO was combined with the B1:BO-4Cl system to construct efficient ternary all-small-molecule organic solar cells (ASM-OSCs). Theoretical, morphological, and crystallographic studies showed that L8-BO and BO-4Cl had good compatibility, leading to the formation of an alloy-like state in the ternary blend. The synergy between the two acceptors promoted favorable phase separation and molecular stacking, enhancing charge splitting and extraction and resulting in improved short-circuit current density and fill factor. Furthermore, the alloy-like state of the acceptors and the higher energy level of L8-BO helped reduce voltage loss in the ternary ASM-OSCs compared to binary devices. The optimal ternary ASM-OSCs with 20 wt% L8-BO achieved a top-level efficiency of 17.10%.
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Physical
Asif Mahmood, Yahya Sandali, Jin-Liang Wang
Summary: Solubility is critical in various research areas and solubility parameters are useful for solvent selection. This study predicts Hansen solubility parameters using machine learning, comparing molecular descriptors and fingerprints as inputs. Machine learning models trained with descriptors show higher prediction ability than those trained with fingerprints, and offer an easy and fast alternative to density functional theory (DFT) methods. With the best-trained machine learning model, green solvents are selected for organic solar cell applications, offering a convenient and efficient method for solvent selection.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Polymer Science
Asif Mahmood, Ahmad Irfan, Jin-Liang Wang
Summary: Through computational analysis and molecular dynamics simulations, the effect of chalcogen atoms on polymer solar cell materials was studied. It was found that sulfur and selenium-based polymers have higher density of states and closer molecular packing, thus having the potential for practical design of efficient polymer solar cells.
Article
Chemistry, Physical
Asif Mahmood, Jin-Liang Wang
Summary: This study aims to predict the performance of P3HT based organic solar cells through machine learning models, selecting molecular descriptors with positive impact on PCE for better prediction, and providing new insights for material design and candidate selection.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Physical
Shi-Sheng Wan, Qiaoqiao Zhao, Zhao Jiang, Gui-Zhou Yuan, Lu Yan, Hwa Sook Ryu, Asif Mahmood, Yan-Qiang Liu, Heng Li, Han Young Woo, Feng He, Jin-Liang Wang
Summary: In this study, two chlorinated two-dimensional fused-ring electron acceptors were synthesized for polymer solar cells, with C8T-BDSe4Cl demonstrating superior absorption properties and optical bandgap, as well as stronger intermolecular interactions according to crystallographic analysis. The blend film with C8T-BDSe4Cl exhibited a favorable morphology for efficient charge separation and transport, leading to higher power conversion efficiency in PSCs compared to the sulfur-containing analogue.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Review
Materials Science, Biomaterials
Farooq Ahmad, Asif Mahmood, Tahir Muhmood
Summary: The advancement in nanotechnology is transforming the world order, with nanoproducts having wide applications and impacts across various fields, but also posing potential negative effects that need strict monitoring. Artificial intelligence and machine learning algorithms have the potential to improve the simulation and modeling of nano-bio interactions, enhancing monitoring and evaluation capabilities of nanomaterials in the real world.
BIOMATERIALS SCIENCE
(2021)
Review
Chemistry, Multidisciplinary
Asif Mahmood, Jin-Liang Wang
Summary: Machine learning, a field of computer science, uses algorithms to automate solutions for complex problems. Organic semiconductors are commonly used in organic solar cells, but data-driven molecular design remains a challenge in the field.
ENERGY & ENVIRONMENTAL SCIENCE
(2021)
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)