Article
Engineering, Environmental
Masoumeh Kooravand, Saeid Asadpour, Hedayat Haddadi, Sadegh Farhadian
Summary: This study investigated the molecular interaction between malachite green oxalate and human serum albumin using a combination of molecular docking, molecular dynamic simulation, and multi-spectroscopic approaches. The results showed a stable interaction between MGO and HSA, leading to structural changes in the protein.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Spectroscopy
Tancong Liao, Yuai Zhang, Xiaojian Huang, Zheng Jiang, Xun Tuo
Summary: Sulfonamides like sulfametoxydiazine (SMD) and sulfamonomethoxine (SMM) were found to bind to human serum albumin (HSA) through hydrogen bonding and van der Waals forces, with SMD showing stronger binding affinity than SMM. The interaction induced conformational changes in HSA, particularly affecting the alpha-helix content, and specific amino acid residues in HSA were identified as key players in the binding process of sulfonamides. Results suggest that hydrogen bonds play a crucial role in the binding affinity between sulfa drugs and HSA, with combined use of SMD and SMM leading to significant variations in binding constants.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Agriculture, Multidisciplinary
Mengchen Xu, Zhaohao Cui, Yihua Xiao, Changqing Liu, Rutao Liu, Wansong Zong
Summary: The study found that DHA-S interacted with HSA, leading to alterations in HSA structure and function. DHA-S enhanced the hydrophobicity of the microenvironment of HSA by changing the tight structure of the hydrophobic subdomain IIA where tryptophan was located.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2022)
Article
Biochemistry & Molecular Biology
Xia Wang, Yue Xing, Jing Su, Changsheng Wang, Zishi Wang, Yinghui Yu, Hongliang Xu, DongSheng Ma
Summary: This study investigated the binding of two naphthalene-containing compounds with human serum albumin using various spectroscopic techniques and crystal data. The results showed that compound A exhibited a mixed quenching mechanism with HSA, while compound B displayed static quenching. Molecular docking was utilized to further understand the interaction details between the compounds and HSA.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Applied
Xin Qi, Duoxia Xu, Jinjin Zhu, Shaojia Wang, Jingwei Peng, Wei Gao, Yanping Cao
Summary: The interaction between lutein dipalmitate and BSA was found to be static with a binding stoichiometry of 1:1. Thermodynamic study and molecular docking confirmed that lutein dipalmitate spontaneously bound to BSA through hydrogen bonds, van der Waals forces, and hydrophobic interactions. The addition of lutein dipalmitate led to a decrease in the alpha-helix content of BSA, as observed through CD analysis.
FOOD HYDROCOLLOIDS
(2021)
Article
Chemistry, Analytical
Deepak Kumar, Rajasri Bhattacharyya, Dibyajyoti Banerjee
Summary: In this study, Fast Blue BB was identified to specifically stain the pseudoesterase activity of HSA in gel, with 2-NA as the ester substrate. The addition of neostigmine did not inhibit this activity, providing specificity to the method. A simple and novel method for HSA detection on gel was devised, allowing for accurate detection without interference from other esterases.
Article
Chemistry, Physical
Rong-Juan Zhang, Song-Bo Kou, Lu Hu, Li Li, Jie-Hua Shi, Shao-Liang Jiang
Summary: In this study, the interaction between Baricitinib (BRT) and bovine serum albumin (BSA) was investigated. The results showed a weak binding between BRT and BSA, with van der Waals forces and hydrogen bonds playing a critical role in the complexation process. The findings provide important insights for evaluating the pharmacological characteristics of BRT and designing new drugs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Spectroscopy
Shao-Liang Jiang, Lu Hu, Zhe-Ying Hu, Wan-Jun Wang, Jie-Hua Shi
Summary: The binding characteristics of Entrectinib (ENB) and bovine serum albumin (BSA) were studied through experiments and theoretical calculations. It was found that ENB quenched the fluorescence of BSA through mixed quenching, and the binding constant between ENB and BSA was about 105 M 1. Hydrogen bond, van der Waals force, and hydrophobic force were the main factors affecting the stability of the ENB-BSA complex. The interaction between ENB and BSA also caused changes in the spatial structure and microenvironment of amino acid residues in BSA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Zhe-Ying Hu, Wan-Jun Wang, Lu Hu, Jie-Hua Shi, Shao-Liang Jiang
Summary: Dacomitinib, a tyrosine kinase inhibitor, was found to quench the endogenous fluorescence of bovine serum albumin (BSA) through static quenching. It preferentially inserted into the hydrophobic cavity of the BSA subdomain IA (site III), forming a 1:1 DAC-BSA complex. DAC had a higher affinity for BSA, and non-radiative energy transfer occurred between them. Hydrogen bonds, van der Waals forces, and hydrophobic forces played a significant role in the insertion of DAC into the hydrophobic cavity of BSA. DAC affected the secondary structure of BSA, leading to a slight decrease in the alpha-helix content. The microenvironment around tyrosine residues was affected by the DAC-BSA combination, while the microenvironment around tryptophan residues remained unaffected. Molecular docking and molecular dynamics simulation confirmed the insertion of DAC into site III of BSA, with hydrogen energy and van der Waals energy contributing to the stability of the DAC-BSA complex. The influence of metal ions on the system's affinity was also explored.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Yuai Zhang, Yiqing Cao, Yan Li, Xuemei Zhang
Summary: Sulfonamides can interact with human serum albumin, leading to fluorescence quenching and changes in the secondary structure of the albumin.
Article
Spectroscopy
Zhiyong Tian, Tengli Ding, Hanjing Niu, Ting Wang, Zhongze Zhang, Jinhua Gao, Ming Kong, Li Ming, Zhihui Tian, Jing Ma, Wen Luo, Chaojie Wang
Summary: A novel 2-phenylquinoline-polyamine conjugate (QPC) was synthesized and its interaction with bovine serum albumin (BSA) was studied. UV-Vis, fluorescence, and circular dichroism (CD) spectroscopy were used to evaluate the interaction. The results showed that QPC formed a complex with BSA, as evidenced by changes in UV-Vis absorption and fluorescence. The interaction was mainly through Van der Waals, hydrogen bond, and hydrophobic interactions. The conformational alteration of BSA caused by QPC was unapparent and QPC was located at the binding sites II of BSA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Himanshu Paliwal, Sunisa Kaewpaiboon, Muhammad Ali Khumaini Mudhar Bintang, Teerapol Srichana
Summary: The binding interaction between cannabidiol (CBD) and human serum albumin (HSA) was studied using surface plasmon resonance, fluorescence spectroscopy, UV-Visible spectrophotometry, and molecular docking. The results showed that CBD bound to HSA at one site in a spontaneous manner to form protein-CBD complexes, with the static mechanism playing a predominant role. The binding constants calculated from fluorescence studies indicated that the hydrophobic force was the major binding interaction. Confirmation of the interaction type and extent was provided using UV-spectroscopy and molecular docking studies.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Kabiru Abubakar Musa, Nor Farrah Wahidah Ridzwan, Saharuddin B. Mohamad, Saad Tayyab
Summary: The binding of lumefantrine to human serum albumin was investigated using various spectroscopic techniques and molecular docking. The results showed moderate binding affinity between lumefantrine and human serum albumin, with the formation of a stable complex. Changes in protein structure and stability upon lumefantrine binding were observed from the spectroscopic results. The preferred binding site of lumefantrine on human serum albumin was identified as Sudlow's Site I in subdomain IIA, supported by molecular docking analysis.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Spectroscopy
Zhiqiang Li, Ludan Zhao, Qiaomei Sun, Na Gan, Qiyi Zhang, Ji Yang, Bin Yi, Xiaoxiang Liao, Donglai Zhu, Hui Li
Summary: This study investigated the interaction mechanism between DBN and HSA using multi-spectroscopy, molecular docking, and dynamic simulation. The results showed that the binding of DBN and HSA was a spontaneous process driven by hydrophobic forces. DBN changed the microenvironment around HSA and decreased its surface hydrophobicity, leading to impaired esterase-like activity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Wen Li, Yuzhu Fan, Chaoqun Yan, Yan Du, Tingting Liang, Chunqiang Wang, Liwei Wang, Lingling Han, Qingshan Li, Taigang Liang
Summary: This study investigated the binding mechanisms of triptolide and methotrexate with BSA in combination therapy for rheumatoid arthritis. The results showed that triptolide had a higher affinity for BSA compared to methotrexate, which may result in an increased plasma concentration of methotrexate. These findings provide information about the safety of combining triptolide and methotrexate for the treatment of rheumatoid arthritis.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
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)