Article
Biochemistry & Molecular Biology
Francesco Bellia, Valeria Lanza, Irina Naletova, Barbara Tomasello, Valeria Ciaffaglione, Valentina Greco, Sebastiano Sciuto, Pietro Amico, Rosanna Inturri, Susanna Vaccaro, Tiziana Campagna, Francesco Attanasio, Giovanni Tabbi, Enrico Rizzarelli
Summary: A series of copper(II) complexes varying the molecular weight of Hyaluronic acid (Hy, x = 200 or 700 kDa) conjugated with carnosine (Car) were synthesized and characterized. The metal complexes showed excellent Cu, Zn-superoxide dismutase (SOD1) mimicking activity. The presence of non-functionalized Hyaluronic acid OH groups enhanced the scavenger activity of the copper(II) complexes.
Article
Chemistry, Inorganic & Nuclear
Dusan Valigura, Cyril Rajnak, Jan Titis, Jan Moncol, Roman Boca, Atina Bienko
Summary: A hexacoordinate Cu(II) complex with intermolecular pi-pi stacking forms a 1D-chain structure. The DC magnetic data follow the Curie law at low temperature. AC susceptibility exhibits a field supported slow magnetic relaxation.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Muhammad Iqbal, Amir Karim, Saeed Ullah, Saqib Ali, Muhammad Nawaz Tahir
Summary: Three new mononuclear mixed ligand copper(II) and zinc(II) complexes were synthesized and characterized. The complexes showed stable interaction ability with DNA and exhibited potential biological activities. Additionally, these complexes showed potential anti-diabetic activity.
Article
Chemistry, Multidisciplinary
Tao Jia, Zong-Jie Guan, Chengkai Zhang, Xiao-Zhao Zhu, Yun-Xin Chen, Qian Zhang, Yang Yang, Di Sun
Summary: A novel eight-electron superatomic copper nanocluster Cu31 is presented, which features an inherent chiral metal core and shows absorption and emission characteristics in the near-infrared (NIR) region. The study also reveals the significance of close contacts between neighboring clusters for the cluster formation and crystallization.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Daniel K. B. Acheampong, Kei Kirihara, Rina Ogawa, Yukinari Sunatsuki, Takayoshi Suzuki
Summary: The molecular and crystal structures of various cobalt complexes were determined using single-crystal X-ray diffraction method. The study revealed the different coordination and bridging modes of the multidentate ligand Lpy-, as well as the conversion of the imine configuration during complexation.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Mathias L. L. Skavenborg, Mads Sondrup Moller, Susanne Mossin, T. David Waite, Christine J. J. McKenzie
Summary: Heteroleptic copper complexes of an asymmetrical pincer ligand containing a central anionic sulfonamide donor have been prepared and shown to catalyze the electro-reduction of O2 to H2O2. The addition of a weak organic acid increases the reaction rate and the coulombic efficiency of H2O2 production was determined to be 48% by iodometric titration.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Fumiya Kobayashi, Teruya Hiramatsu, Keigo Sueyasu, Makoto Tadokoro
Summary: In this study, a mononuclear hydrogen-bonded Co(II) spin crossover compound was demonstrated to exhibit high proton conductivity. The compound showed complex 3D supramolecular structure and magnetic behavior, and displayed a proton conductivity of 1.68 x 10-3 S cm-1 at 353 K and 98% relative humidity. This study provides new insights for the design of molecular proton conductors and contributes to the development of multifunctional molecular switching materials.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Saeideh Salimi, Kamran Akhbari, S. Morteza F. Farnia, Jonathan M. White
Summary: A biocompatible Cu-based coordination polymer with high efficiency was synthesized using solvothermal and sonochemical methods. The polymer exhibited excellent antibacterial activity against both gram-positive and negative bacteria, distinguishing itself from other Cu-based coordination polymers.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Marina A. Uvarova, Dmitry E. Baravikov, Fedor M. Dolgushin, Teimur M. Aliev, Konstantin O. Titov, Olga B. Bekker, Arseniy I. Lashkin, Irina K. Malyants, Victoria O. Shender, Mikhail A. Kiskin, Igor L. Eremenko, Irina A. Lutsenko
Summary: A series of mononuclear palladium(II) coordination compounds with N-heterocyclic ligands were synthesized. The cytotoxic effects of these compounds on human ovarian adenocarcinoma cells and human dermal fibroblasts were tested in vitro. Compound 4 showed anti-proliferative activity against ovarian adenocarcinoma cells and weaker effects on healthy fibroblasts. The anti-mycobacterial activity of compounds 2-4 was also evaluated in vitro.
INORGANICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Yang Yang, Fei-Fei Guo, Cai-Feng Chen, Yu-Lan Li, Hong Liang, Zhen-Feng Chen
Summary: This study demonstrates that three new synthetic terpyridine copper(II) complexes have anti-cancer effects by inducing apoptosis and blocking the cell cycle in T-24 cells. The complexes accumulate in the mitochondria of T-24 cells and cause a significant reduction in mitochondrial membrane potential. The complexes increase intracellular levels of ROS and Ca2+ and activate the expression of caspase-3/9, as confirmed by Western Blotting analysis. Bcl-2 is down-regulated and Bax is upregulated after treatment with complexes 1-3. In vivo studies show that complexes 1-3 significantly inhibit tumor growth without significant toxicity to other organs.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Sadaf Rauf, Agata Trzesowska-Kruszynska, Tomasz Sieranski, Marcin Swiatkowski
Summary: Three new copper coordination compounds were synthesized from dmpa and hmta, and their crystal structures were determined. The structural diversity among the compounds was a result of the multiple coordination modes of the ligands used. Characterization of the compounds in terms of absorption and thermal properties provided insights into the relationships between structural features and properties.
Article
Biochemistry & Molecular Biology
Pradeep Kumar Vishwakarma, Pushpendra Singh Jaget, Mahendra Kumar Parte, Ram Charitra Maurya, Deepak Kumar Rajak, Aniteshma Chanpuria, Abhilasha Shukla, Ahad Ali
Summary: This article discusses the experimental and theoretical evaluations of N-pyridoxal-salicylic acid hydrazide and its copper(II) complex with 2-methylimidazole. The molecular structure, charge analysis, and in-vitro antioxidant activity of the compounds were investigated. Additionally, molecular docking studies were performed to predict the binding interaction between the copper(II) complex and human serum albumin.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Polymer Science
Zehra Edis, Radhika Raheja, Samir Haj Bloukh, Richie R. Bhandare, Hamid Abu Sara, Guido J. Reiss
Summary: The study prepared a copper-pentaiodide complex with strong antimicrobial properties through a simple in-vitro synthesis, showing excellent inhibition against C. albicans and strong antibacterial activities against various pathogens. The compound's crystal structure consists of complexes surrounded by 12-crown-4 molecules forming a cationic substructure, and a halogen bonded polymer anionic substructure with a unique chain-type polyiodide topology.
Article
Chemistry, Multidisciplinary
Bilash Chandra Roy, Biswarup Dutta, Dipmalya Basak, Surajit Debnath, Debashis Ray, Tufan Singha Mahapatra
Summary: A new mononuclear copper(II) complex was synthesized and characterized. The complex exhibited a distorted tetrahedral geometry in solution and showed good catalytic activity in the oxidation reaction. It also displayed a high binding affinity towards bovine serum albumin.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Suwitra Charoensuk, Jing Tan, Mohini Sain, Hathaikarn Manuspiya
Summary: This report presents a significant leap in designing electronic structures that display reversible dual-phase photoluminescence properties from single-crystal hybrid ligand frameworks. The three-dimensional Cu(C3N2H4)(4)Cl-2 complex frameworks show potential for luminescence Cu-based sensors to detect heavy metal ion species using emission intensity.
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)