Article
Biochemistry & Molecular Biology
Yongshun Song, Jing Zhan, Minyue Li, Hongwei Zhao, Guosheng Shi, Minghong Wu, Haiping Fang
Summary: In this study, the effect of cation-pi interaction between histidine and zinc ions and copper ions on the water affinity of histidine was investigated. It was theoretically shown that the cation-pi interaction can enhance the water affinity of histidine, which was experimentally demonstrated by the increased solubility of histidine in zinc chloride and copper chloride solutions. The existence of cation-pi interaction was further confirmed by fluorescence, UV spectroscopy, and NMR experiments. These findings are of great importance for the bioavailability of aromatic drugs and provide new insights into the physiological functions of transition metal ions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Peitao Zheng, Li Xiang, Jian Chang, Qiaojia Lin, Lei Xie, Tu Lan, Jing Liu, Zhenggang Gong, Tian Tang, Li Shuai, Xiaolin Luo, Nairong Chen, Hongbo Zeng
Summary: Efficient enzymatic hydrolysis of cellulose in lignocellulose to glucose is crucial for biofuel production, but nonproductive lignin adsorption to cellulase impedes biorefinery development. Investigating the lignin-cellulase interaction, cation-pi interactions were identified and soy protein was shown to be an effective lignin-blocker, improving enzymatic hydrolysis efficiency through electrostatic, cation-pi, and hydrophobic interactions. These findings offer new insights into developing advanced biotechnologies to address nonproductive lignin adsorption, thus enhancing the economics of lignocellulosic biorefinery.
Article
Polymer Science
Ming Zou, Haixin Zhang, Naoto Miyamoto, Naoki Kano, Hirokazu Okawa
Summary: In this study, a method of removing sodium dodecyl sulfate (SDS) from an aqueous solution using modified cellulose was discussed. The adsorption process was characterized and optimized, and it was found that the adsorption of SDS on the modified cellulose was mainly controlled by chemical adsorption. The results also indicated that the adsorption process was endothermic and spontaneous, and that increasing temperature favored adsorption.
Article
Biochemistry & Molecular Biology
Y. Bhargav Kumar, Nandan Kumar, Lijo John, Hridoy Jyoti Mahanta, S. Vaikundamani, Selvaraman Nagamani, G. Madhavi Sastry, G. Narahari Sastry
Summary: The Cation-Aromatic Database (CAD) is a comprehensive collection of cation-aromatic motifs found in experimentally determined protein structures. It provides information on the position and classification of these motifs, as well as their distribution and preferences in different protein structures.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
(2023)
Article
Chemistry, Organic
Jie Jian, Roel Hammink, Paul Tinnemans, F. Matthias Bickelhaupt, Christine J. McKenzie, Jordi Poater, Jasmin Mecinovic
Summary: Arene-arene interactions play a fundamental role in molecular recognition. This study investigates arene-arene interactions in cyclophanes by designing and synthesizing specific compounds. The research reveals that fluorine substituents can fine-tune the aromatic character and acidity of phenol. X-ray crystallography and computational analyses demonstrate the presence of pi-pi stacking interactions and the importance of electrostatic and orbital interactions in the structure and stability of the compounds.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Environmental Sciences
Hajer Aloulou, Ali Ghorbel, Wala Aloulou, Raja Ben Amar, Sabeur Khemakhem
Summary: In this study, natural Turkish zeolite modified with CTAB was found to effectively remove fluoride ions from aqueous solutions. The adsorption process was determined to be exothermic and spontaneous, with a maximum adsorption capacity of 2.994 mg/g.
ENVIRONMENTAL TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Elisabetta Ronchi, Shauna M. Paradine, Eric N. Jacobsen
Summary: This study presents a one-step catalytic, enantioselective method for preparing homoallylic N-Boc amines directly from acetals. The generation of reactive iminium ion intermediates and subsequent allylation are favored over the formation of homoallylic ether byproducts. The experimental and computational data support the anchoring hydrogen-bond interaction and specific noncovalent interactions with the catalyst in the enantiodetermining transition state.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Zhibin Guo, Hanyu Hong, Yuedan Zheng, Ziyang Wang, Zexuan Ding, Qunfeng Fu, Zhibo Liu
Summary: Cleavage chemistry enables controlled drug release in tumors. Researchers achieved drug release and treatment in living cells and mice through radiotherapy-induced cleavage chemistry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Jing Zhan, Zhendong Lei, Yong Zhang
Summary: In this review, the interactions between graphene and different objects are systematically examined, revealing their significant effects on the performance of graphene materials. The findings help to design and develop graphene-based materials with improved functionality.
Article
Chemistry, Multidisciplinary
Sharmila Samaroo, Charley Hengesbach, Chase Bruggeman, Nunzio Giorgio G. Carducci, Lincoln Mtemeri, Richard J. J. Staples, Thomas Guarr, David P. P. Hickey
Summary: This article investigates the correlation between the solubility of N-substituted pyridinium salts in a non-aqueous solvent and the C-H...p interactions. It finds a direct correlation between the two, highlighting the significant impact of minimal structural changes on pyridinium solubility.
Article
Chemistry, Physical
Yu Zheng, Chengxiang Tian, Yitian Wu, Lanze Li, Yingjie Tao, Lulu Liang, Guanghe Yu, Jianguo Sun, Sai Wu, Fan Wang, Yajun Pang, Zhehong Shen, Zhenghui Pan, Hao Chen, John Wang
Summary: A dual-engineering method, involving the partial removal of ammonium cations and the increase of oxygen vacancies, has been proposed to enhance the performance of ammonium vanadate in aqueous zinc ion batteries. Experimental and theoretical results demonstrate that this method can increase the interlayer space for Zn2+ insertion/deinsertion and weaken the interaction between the V-O layer and Zn2+, leading to improved capacity and rate performance.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Medicinal
Till El Harrar, Holger Gohlke
Summary: The interactions between amino acid side-chains contribute diverse energetic contributions and physical properties to protein stability and function. However, the comprehensive data on the energetic effects of aqueous ionic liquids (aIL) on intramolecular protein interactions are lacking. This study presents the most comprehensive set of potential of mean force (PMF) profiles for pairwise protein-residue interactions, including aIL and salt solutions, which can weaken or strengthen specific residue interactions by more than 3 kcal mol-1, depending on various factors.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Multidisciplinary
Chenfan Liu, Yu Zhang, Huanhuan Cheng, Xuanxuan Cai, Dianzeng Jia, He Lin
Summary: In this paper, it is found that excessive NH4+ in the vanadium-based cathode material NH4V4O10 affects the structural stability and reduces the reaction kinetics of AZIBs. By removing part of the NH4+ through heat treatment and introducing Al3+ through hydrothermal method, the zinc storage properties of the material are enhanced, leading to excellent electrochemical performance. This study provides valuable insights for the development of high performance AZIBs cathode materials.
Article
Chemistry, Analytical
Johnson Dalmieda, Ana Zubiarrain-Laserna, Devanjith Ganepola, P. Ravi Selvaganapathy, Peter Kruse
Summary: Silver is commonly used for water disinfection in hospitals and purifiers. Excessive consumption could lead to adverse effects. A new silver sensor utilizing few-layer graphene networks for detection within a concentration range of 3 ppb to 1 ppm has been developed, which can be reset and reused multiple times, demonstrating a potential pathway for cation sensing in various water sources.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Chemistry, Multidisciplinary
Yun Zhu, Samantha Schrecke, Shuli Tang, Melanie T. Odenkirk, Thomas Walker, Lauren Stover, Jixing Lyu, Tianqi Zhang, David Russell, Erin S. Baker, Xin Yan, Arthur Laganowsky
Summary: This study reveals the selective modulation of phosphatidylserine (PS) binding to TRAAK by cupric ions, while TREK2 is unaffected. Other ions have no impact on the binding of both channels. Additionally, TRAAK shows stronger binding with Cu2+ and Zn2+ compared to TREK2.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Esam A. Orabi, Mohamed A. A. Orabi, Mahmoud H. Mahross, Mohamed Abdel-Hakim
JOURNAL OF SAUDI CHEMICAL SOCIETY
(2018)
Article
Chemistry, Physical
Esam A. Orabi, Ann M. English
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
Article
Chemistry, Physical
Esam A. Orabi, Ann M. English
JOURNAL OF PHYSICAL CHEMISTRY B
(2018)
Article
Chemistry, Physical
Esam A. Orabi, Ann M. English
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2018)
Article
Chemistry, Multidisciplinary
Esam A. Orabi
Article
Plant Sciences
Mohamed A. A. Orabi, Esam A. Orabi, Shoko Taniguchi, Hiroshi Sakagami, Morio Yoshimura, Yoshiaki Amakura, Tsutomu Hatano
JOURNAL OF NATURAL PRODUCTS
(2019)
Article
Chemistry, Multidisciplinary
Esam A. Orabi, Rebecca L. Davis, Guillaume Lamoureux
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2020)
Article
Chemistry, Physical
Esam A. Orabi, Jose D. Faraldo-Gomez
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2020)
Article
Chemistry, Physical
Esam A. Orabi, Ann M. English
Summary: Previously associated with cell death, hydrogen peroxide (H2O2) is now known to play various roles in physiology. Understanding its interaction with proteins and lipids at the atomic level is crucial for unraveling its biological mechanisms. High-level ab initio calculations provide insight into the preferred configurations of H2O2 and its association with biomolecules.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Polymer Science
Wei-Ting Du, Esam A. Orabi, Mohamed Gamal Mohamed, Shiao-Wei Kuo
Summary: Two isomeric hydroxyphenylmaleimide (HPMI) monomers were synthesized and copolymerized with styrene to form two near-perfect alternating copolymers. Characterization using various techniques revealed differences in hydrogen bonding interactions between oHPMI and PVP compared to pHPMI, leading to weaker interactions between oHPMI and PVP.
Article
Chemistry, Physical
Ahmed M. El-Zohry, Esam A. Orabi, Martin Karlsson, Burkhard Zietz
Summary: Organic dyes exhibit high efficiencies in solar cells due to the push-pull strategy, with L1 dye showing different emission states depending on solvent and concentration. Density functional theory calculations reveal the importance of hydrogen bonding in controlling states, providing insights into the photophysical properties of the dye.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Mostafa Ahmed, Osama Younis, Esam A. Orabi, Ahmed M. Sayed, Adel M. Kamal El-Dean, Reda Hassanien, Rebecca L. Davis, Osamu Tsutsumi, Mahmoud S. Tolba
Article
Chemistry, Physical
Esam A. Orabi, Ann M. English
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Esam A. Orabi, Gilles H. Peslherbe
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)