Article
Chemistry, Inorganic & Nuclear
Ji-Fa Wang, Xin Xu, Ruo-Nan Bian, Wen-Kui Dong, Yu-Jie Ding
Summary: A novel structurally characterized salamo-like ligand H2L has been designed and synthesized, leading to the formation of Cu(II) and Ni(II) complexes. The Cu(II) complex shows a four-coordinated twisted quadrilateral geometry, while the Ni(II) complex exhibits a slightly distorted octahedral geometry with six-coordination, resulting in the formation of chiral MOFs. Spectroscopic analyses and magnetic analyses were carried out to study the properties of these complexes.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Lin Dou, Li Tong, Chen-Yin Ma, Wen-Kui Dong, Yu-Jie Ding
Summary: A tailored Cd(II) coordination polymer, Cd(II)-CP, was successfully synthesized using the host ligand H2L and auxiliary ligand 1,4-di(pyridin-4-yl)benzene. The Cd(II)-CP exhibited a slightly twisted hexacoordinated octahedron configuration and formed an infinite 1D zigzag-like chain configuration. It showed high selectivity and sensitivity as a luminescent bifunctional chemosensor for nitroaromatic compounds and anions, with turn-off and turn-on fluorescence effects observed for picric acid and sulfide ions, respectively. This study provides new design concepts for CPs in detecting pollutants, potentially reducing health risks to humans and natural ecosystems.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Inorganic & Nuclear
Yun-Dong Peng, Yuan-Ji Yan, Ya-Ting La, Xiu-Juan Han, Fei Huang, Wen-Kui Dong
Summary: Two novel Cu(II) and Ni(II) complexes were synthesized and characterized. The structures of the complexes were analyzed and the fluorescence properties, theoretical calculations, and surface analyses were investigated in detail.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Yang Zhang, Li Tong, Xun Li, Lin Dou, Hao Cheng, Wen-Kui Dong, Yu-Jie Ding
Summary: In this study, an elaborately designed nonsymmetric salamo-like ligand (H2L) was used to construct a novel fluorescent coordination polymer. By using the auxiliary ligand 4,4'-bipyridine, a tailored luminescent probe (Ni(II)-CP) was prepared and its structure was determined through single crystal X-ray diffraction. The Ni(II)-CP showed a slightly twisted hexa-coordinate octahedron configuration and formed an infinite one-dimensional chain-shaped structure through the intervention of the auxiliary ligand. The luminescence properties of the Ni(II)-CP demonstrated unusual selectivity, sensitivity, and recyclability for the detection of 4-nitrophenol and Cr2O7 2-. Possible fluorescence quenching mechanisms were also explored.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Applied
Peng Li, Li-Li Li, Shi-Zhen Li, Wen-Kui Dong
Summary: Two unusual homomultinuclear Cu(II) complexes were synthesized and characterized, showing significant differences in coordination mode and geometry.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Zhi-Fei Hu, Zhi-Lei Chai, Qian Zhou, Le-Chuan Feng, Wen-Kui Dong, Yu-Jie Ding
Summary: In this study, a copper(II) coordination polymer Cu(II)-CP with mixed salamo-type ligands was constructed for the first time. The structure of Cu(II)-CP consists of two copper(II) atoms, deprotonated ligand units, a NO3- anion, and a crystallized methanol molecule. The two metallized ligand units are bridged by two oxygen atoms of NO3- to form a unique mixed-ligand copper(II) coordination polymer. The antimicrobial activities of both ligands and Cu(II)-CP were investigated and found to exhibit excellent antibacterial activities.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
L. -L. Li, S. -S. Feng, J. -Q. Zhang, J. -F. Wang, W. -K. Dong
Summary: A novel two-dimensional Zn(II) coordination polymer with green fluorescence properties has been successfully synthesized and shows potential applications in fluorescent materials. The study reveals specific short-range interactions on the surface of the polymer.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Xiu-Juan Han, Ruo-Yu Li, Yong-Ning Yue, Yang Zhang, Wen-Kui Dong
Summary: A new pyridine-decorated half-salamo-like ligand (HL) was successfully designed and synthesized, leading to the cultivation of three anion-dependent Cu(II) complexes. The structural features of the complexes were determined by various analyses, revealing homologous mono-nuclear structures with unique coordination characteristics. Additionally, the fluorescence intensities of these Cu(II) complexes were found to be significantly increased compared to the ligand.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Yun-Hu Deng, Ruo-Yu Li, Jin-Qiang Zhang, Yue-Fei Wang, Jian-Ting Li, Wen-Ting Guo, Wei-Kui Dong
Summary: The ASC probe was designed for dual sensing of S2O32- ions and GSH based on an ICT process, showing good sensitivity in aqueous DMF medium. It also demonstrated the ability to selectively detect S2O32- ions over other sulfur-containing anions. Additionally, the rationality of the fluorescence off-on responses of ASC to S2O32- and GSH was revealed using DFT and TD-DFT computations.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Peng Li, Shi-Zhen Li, Yu-Xin Wei, Wen Kui Dong
Summary: Three trinuclear complexes with unique chemical structures and supramolecular assembly forms have been successfully synthesized and characterized, demonstrating intriguing metal-ligand interactions and fluorescence properties.
Article
Chemistry, Applied
Shan-Shan Feng, Li-Li Li, Peng Li, Wen-Kui Dong
Summary: Two novel homomultinuclear complexes were synthesized and characterized with a newly designed rigid bis(salamo)-type tetraoxime ligand. Complex 1 is a symmetrical six-core cluster structure with Co(II) atoms sandwiched between the ligands, while complex 2 has a dinuclear structure with Ni(II) atoms located in the N2O2 cavities of the ligand. The coordination ratios were determined by studying the fluorescence properties, showing different metal to ligand binding ratios for each complex.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Sibo Wang, Bo Sun, Zhongmin Su, Guohui Hong, Xiao Li, Yanling Liu, Qingqing Pan, Jing Sun
Summary: In this study, five isostructural lanthanide metal-organic frameworks were synthesized and shown to have excellent processability and multifunctional luminescent characteristics. One of the compounds also demonstrated excellent temperature sensing performance. Additionally, two of the compounds were found to be fluorescent sensors for detecting multiple substances.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Yang Zhang, Shi-Zhen Li, Yi-Bin Yan, Lin Dou, Wen-Kui Dong
Summary: A structurally novel bi-nuclear Co(III) complex was prepared and characterized. The complex consists of two Co(III) atoms, two fully deprotonated ligand (L)(3-) units, and two coordinated -H2O molecules. The emission spectrum studies showed that the complex exhibits fluorescence quenching. Hirshfeld surfaces analyses revealed that H center dot center dot center dot H interaction contributes the most to the 2D fingerprinting map.
Article
Chemistry, Inorganic & Nuclear
P. Li, M. Li, S-Z Li, J-F Wang, W-K Dong
Summary: A novel heterometallic Cd(II)-Na(I) coordination polymer has been synthesized and characterized. It consists of two kinds of metal atoms with different coordination modes, forming a structure with a larger pore size. The polymer exhibits brighter green fluorescence and has potential applications in the development of fluorescent materials. Various short-range interactions on the surface of the Cd(II)-Na(I) coordination polymer have been studied through Hirshfeld surface analysis.
JOURNAL OF STRUCTURAL CHEMISTRY
(2021)
Article
Chemistry, Applied
Lu-Mei Pu, Peng Li, Shi-Zhen Li, Wei-Bing Xu, Hai-Tao Long, Wen-Kui Dong
Summary: Two dinuclear Ni(II) and Zn(II) salamo-type complexes have been successfully synthesized and characterized by various techniques. These complexes exhibit unique geometric relationships and interactions between molecules.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
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)