Article
Biochemistry & Molecular Biology
Sathi Goswami, Ritutama Ghosh, Pooja Prasanthan, Nand Kishore
Summary: Insights into the binding of altretamine with calf thymus DNA were obtained using spectroscopy, viscosity measurements, and molecular docking studies. The results showed that altretamine forms a complex with DNA through groove binding, driven by favorable thermodynamics and hydrogen bonds/Van der Waals interactions. This study provides mechanistic insights into the drug-DNA interactions and their importance in medicinal chemistry.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Wioleta Bialobrzeska, Maciej J. Glowacki, Monika Janik, Mateusz Ficek, Krzysztof Pyrchla, Miroslaw Sawczak, Robert Bogdanowicz, Natalia Malinowska, Sabina Zoledowska, Dawid Nidzworski
Summary: OTA interacts with ct DNA on the nanodiamond surface, and the binding mechanism was elucidated using multispectroscopic techniques. The study showed that OTA can form complexes with ct DNA and interact in a groove-binding mode, providing new insights into the toxicological effect of mycotoxins.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Song-Bo Kou, Kai-Li Zhou, Zhen-Yi Lin, Yan-Yue Lou, Jie-Hua Shi, Ying-Xin Liu
Summary: In this study, the molecular interaction mechanism between Lopinavir (LPV) and calf thymus deoxyribonucleic acid (ct-DNA) was characterized using spectroscopic, viscosity, and molecular docking approaches. The results showed that LPV bound to the minor groove of ct-DNA through hydrogen bonding and Van der Waals forces. This study provides insight into the binding behavior between LPV and ct-DNA, which can be beneficial for evaluating the pharmacological properties of this antiviral drug.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Spectroscopy
Bingjun Shen, Huiru Yang, Jiaqi Chen, Xiaoyun Liu, Mingyue Zhou
Summary: This study investigated the interaction mechanism between Juglone and DNA through various experimental techniques, revealing that Juglone can quench the fluorescence of DNA, affect the absorption spectrum, enhance resonance scattering peak, and increase the melting point of DNA. The results provide insights into the binding characteristics and thermodynamic properties of Juglone with DNA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Mahvash Farajzadeh Dehkordi, Sadegh Farhadian, Fatemeh Hashemi-Shahraki, Babak Rahmani, Sina Darzi, Gholamreza Dehghan
Summary: The effects of candidone on DNA structure and conformation were investigated using spectroscopic methods, molecular dynamics simulation, and molecular docking studies. The results showed that candidone formed a complex with DNA in a groove-binding mode. It also caused static quenching of DNA and had a high binding affinity. Hydrophobic interactions played a dominant role in the binding process. Candidone preferentially attached to the A-T base pairs of DNA's minor grooves. The structural changes in DNA caused by candidone were confirmed by thermal denaturation and molecular dynamics simulation.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Analytical
Cem Erkmen, Didem Nur Unal, Sevinc Kurbanoglu, Gokcen Eren, Bengi Uslu
Summary: The binding of cinacalcet (CIN) with ct-dsDNA was investigated in this study. The results showed that the binding mode of CIN with ct-dsDNA could be groove-binding. Molecular docking experiments also suggested that CIN could interact with dsDNA through H-bonding and pi-pi stacking.
Article
Spectroscopy
Linna Fu, Guangbin Liu, Dongxin Zhao, Libo Yuan, Kui Lu
Summary: Peptide drugs have rapidly evolved for the treatment of diseases such as AIDS, myeloma, and breast cancer due to their high efficacy and low side effects. The interaction mechanisms between two peptide drugs and two biological macromolecules were investigated using various techniques, revealing key binding forces and changes in molecular structures. Additionally, studies on the interaction between drugs and DNA provided insights into groove binding and major interaction forces involved in the process.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Spectroscopy
Irfan Hussain, Sana Fatima, Sharmin Siddiqui, Shahbaz Ahmed, Mohammad Tabish
Summary: Beta-resorcylic acid (BR) is a phytochemical widely used in the food industry for its flavoring and preservative properties, exhibiting antibacterial action against various food-borne bacteria. The study investigated the binding mechanism of BR with calf thymus DNA (ctDNA) through spectroscopic and in silico experiments, revealing a groove binding mode primarily driven by hydrogen bonding, van der Waals and hydrophobic interactions. Molecular docking and dynamics simulations supported the in vitro findings, demonstrating the groove binding mode of BR with ctDNA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Multidisciplinary
Shufang Zhang, Xuejun Sun, Laijin Tian
Summary: A luteolin-zinc(II) complex has been synthesized and its binding mode with ctDNA studied through various spectroscopic methods. Results show the formation of the complex and the existence of hydrogen bonds and van der Waals forces in the binding reaction. The interaction mode is determined to be intercalation based on fluorescence and UV-visible absorption results.
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Najmeh Zare-Feizabadi, Zeinab Amiri-Tehranizadeh, Atena Sharifi-Rad, Parisa Mokaberi, Niknaz Nosrati, Fatemeh Hashemzadeh, Hamid Reza Rahimi, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: The interaction between calf thymus DNA and anastrozole was studied, indicating a potential intercalative binding mode. The presence of histone H1 increased the Stern-Volmer quenching constant, showing exothermic binding behavior. Hydrogen bonds and hydrophobic contributions play significant roles in anastrozole association with DNA, potentially inhibiting cell proliferation.
DNA AND CELL BIOLOGY
(2021)
Article
Multidisciplinary Sciences
Fernando Muzzopappa, Johan Hummert, Michela Anfossi, Stanimir Asenov Tashev, Herten Dirk-Peter, Fabian Erdel
Summary: The article presents a new method to distinguish liquid-liquid phase separation (LLPS) from other mechanisms in cells, using well-controlled in vitro and in vivo experiments. The method, called MOCHA-FRAP, successfully identifies the interfacial barrier responsible for preferential internal mixing in biomolecular condensates. This research has important implications for understanding the formation and mechanisms of biomolecular condensates in living cells.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Sana Fatima, Irfan Hussain, Shahbaz Ahmed, Mohammad Tabish
Summary: This article investigates the interaction mechanism of isochroman with calf thymus DNA (ct-DNA). Multi-spectroscopic techniques and computational modeling studies confirm the formation of a complex between isochroman and ct-DNA, with the binding occurring in the minor groove of ct-DNA.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Ao-Hong Hu, Qi-Xuan Duan, Xin-Yuan Xiong, Zhuo Kang, Ai -Min Bai, Miao-Miao Yin, Yan-Jun Hu
Summary: GSH-AgNCs and DHLA-AgNCs were synthesized and their interactions with ctDNA were studied. GSH-AgNCs mainly bound to ctDNA in a groove mode, while DHLA-AgNCs were both groove and intercalation binding. The binding strength of DHLA-AgNCs to ctDNA was stronger than that of GSH-AgNCs. This study provides theoretical foundations and guidance for the biosafety and application of AgNCs.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Analytical
Ruihong Zhang, Jie Zhu, Dan Sun, Jie Li, Lina Yao, Shuangshuang Meng, Yan Li, Yang Dang, Kaige Wang
Summary: The interaction between doxorubicin (DOX) and DNA molecules, particularly the binding sites and dynamic process, have been systematically investigated using Confocal Raman spectroscopy. The study found that DOX can interact with all four bases of DNA molecules and affect their conformation. The binding site of DOX and its derivatives is also determined. Additionally, the interaction between DOX and DNA molecules is a dynamic process, as evidenced by the regularly changing intensities of characteristic peaks of each base. A dynamic mechanism model of this interaction is proposed, which involves the formation of a complex between DOX and DNA, as well as multimer formation between DOX molecules. This research is important for understanding and developing new drugs and pathways to mitigate DOX-induced cytotoxicity and cardiotoxicity.
Article
Chemistry, Physical
Lihong Jin, Peiyao Li, Jingyi Li, Huiru Yang, Xinglong Pan, Haiyan Li, Bingjun Shen
Summary: The study found that cinnamic acid can form a supramolecular system with DNA, quench the fluorescence of the DNA system, and increase the DNA's melting point. Further experiments showed that the structure of cinnamic acid molecule inserts between DNA base pairs, contributing to a better understanding of their interaction mechanism.
JOURNAL OF MOLECULAR LIQUIDS
(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)