Article
Chemistry, Inorganic & Nuclear
Suffora Akhter, Mohammad Usman, Farukh Arjmand, Sartaj Tabassum
Summary: In this study, a half-sandwich Ru(II) complex containing an aminoquinoline ligand was synthesized and characterized. The complex showed strong binding affinity towards DNA and induced DNA cleavage through an oxidative pathway. Additionally, the complex exhibited fluorescence quenching of proteins and low cytotoxicity against human cancer cell lines.
Article
Chemistry, Inorganic & Nuclear
Stephen Mensah, Joseph D. Rosenthal, Mamta Dagar, Tyson Brown, Jonathan J. Mills, Christopher G. Hamaker, Gregory M. Ferrence, Michael I. Webb
Summary: The evolution of high virulence bacterial strains has led to the development of novel therapeutic agents. Metal-based therapeutics, with their structural variability and unique modes of action, show great promise. This study focused on the preparation and evaluation of ruthenium(ii)-arene complexes containing Schiff base ligands with an attached ferrocene, and identified a complex with prominent activity against clinically relevant bacterial strains.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Applied
Dibyendu Satapathi, Manik Das, Karunamoy Rajak, Soumik Laha, Md Maidul Islam, Indranil Choudhuri, Nandan Bhattacharyya, Sinjan Das, Bidhan Chandra Samanta, Tithi Maity
Summary: Two novel Cu(II) complexes and one Ni(II) complex have been developed and characterized for their structure and properties, including their binding ability with DNA and human serum albumin. Experimental methods and molecular docking studies confirmed the binding potential of these complexes with DNA and HSA, as well as their anticancer properties. The nuclear staining study revealed the nuclear morphological changes in cancer cells and suggested the activation of apoptotic pathways.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Tanusree Ganguly, Poulami Pal, Dinesh Maity, Sujoy Baitalik
Summary: An array of styrylphenyl-conjugated Ru(II)-terpyridine complexes were designed and their photophysical and electrochemical characteristics were investigated. The compounds exhibited aggregation-induced emission quenching and enhancement due to the presence of polyaromatic units. Styrylphenyl units allowed the photoisomerization from trans-trans to trans-cis in both free and aggregated forms of the complexes under visible light, which could be reverted back by UV light. The rate constant and quantum yield of photoisomerization decreased with the extent of aggregation. Theoretical analysis using density functional theory (DFT) and time-dependent DFT methods was also performed for band assignment and understanding of the photoisomerization process.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Applied
Prama Bhattacherjee, Mousam Roy, Avigyan Naskar, Hsieh-Chih Tsai, Abhrajyoti Ghosh, Niladri Patra, Rohith P. John
Summary: A trinuclear copper complex was synthesized using a tribasic naproxen-appended ligand and 1,10-phenanthroline, characterized by various spectroscopic methods and X-ray diffraction analysis. The complex showed higher binding affinity with DNA compared to the ligand, and molecular docking study revealed an intercalative mode of interaction between the complex and DNA.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
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
Biochemistry & Molecular Biology
Ashraf Sadat Dorafshan Tabatabai, Effat Dehghanian, Hassan Mansouri-Torshizi
Summary: In this study, a novel Zn(II) complex was synthesized and characterized. The complex exhibited effective antitumor activity and showed interactions with biological macromolecules. Molecular docking simulation confirmed the main interaction as hydrogen bonding.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Applied
Mona A. Alamri, Mutlaq. Al-Jahdali, Najlaa S. Al-Radadi, Mostafa A. Hussien
Summary: This study synthesized a series of metal complexes of triazene ligands and characterized them using various analytical methods. The cytotoxic and DNA binding activities of the complexes were studied, revealing that the Zn(II) complex exhibited the highest activity. Molecular docking results correlated well with the cytotoxicity experiments.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Satyajit Mahata, Souradeep Dey, Biman B. Mandal, Vadivelu Manivannan
Summary: In this study, a heterocyclic probe LH was designed for specific recognition of Cu2+ ion and CN- ion. LH showed selective colorimetric response towards Cu2+ and recognition for CN- was achieved through formation of a specific complex. The results demonstrated the potential applications of LH and [Cu(L)(2)] complex in environmental water analysis and cellular imaging.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Johannes Karges, Ryjul W. Stokes, Seth M. Cohen
Summary: The research presents a conjugate consisting of a metalloenzyme inhibitor and a Ru(ii) polypyridine complex, which can release the inhibitor upon light exposure. This prodrug design helps achieve spatial and temporal control over treatment, offering a new approach for designing prodrugs of metalloenzyme inhibitors.
DALTON TRANSACTIONS
(2021)
Article
Spectroscopy
Anshita Varshney, A. P. Mishra
Summary: Cobalt, Copper, Nickel, and Zinc coordinated metal complexes were synthesized using a new thiazole Schiff base ligand. The synthesized compounds were characterized using various spectroscopic techniques and thermal analysis. Theoretical computational studies were performed to investigate the properties of the compounds, including their antimicrobial activity. The synthesized ligand and metal complexes showed good antifungal activity, as well as DNA binding, DNA cleaving, and antioxidant activity. They also exhibited potential fluorescence properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Inorganic & Nuclear
Imtiyaz Ahmad Mantoo, Masrat Bashir, Imtiyaz Yousuf
Summary: The present work focuses on the synthesis and characterization of a new water soluble dinuclear Cu(II) complex as a potential chemotherapeutic drug. The complex was thoroughly characterized and its intermolecular characteristics and DNA binding mode were investigated. The complex exhibited efficient and selective cytotoxicity against A549 cancer cell line.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Review
Chemistry, Inorganic & Nuclear
Gabriel H. Ribeiro, Analu R. Costa, Aparecido R. de Souza, Fabiana V. da Silva, Felipe T. Martins, Ana M. Plutin, Alzir A. Batista
Summary: This review discusses the development of ruthenium complexes with acylthiourea ligands for potential antitumor activity. It highlights the increased biological activity of the coordination products compared to their precursor complexes and free ligands. The structure-activity relationships of different structure scaffolds of ruthenium complexes with N-mono- and disubstituted acylthiourea ligands are discussed in relation to their cytotoxic properties and antitumor activity. The mode of binding of Ru-acylthiourea complexes to DNA is also explored to understand their cytotoxic action.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Inorganic & Nuclear
Mukerrem Findik, Ercan Turkkan, Suray Pehlivanoglu, Ulku Sayin, Umit Ceylan, Emine Guler Akgemci
Summary: A new copper(II) complex, Cu(HPP), with 2-hydroxy-5-methoxyacetophenone thiosemicarbazone (HMAT) was synthesized and characterized. Spectroscopic investigations revealed its intercalative binding mechanism with calf-thymus deoxyribonucleic acid (ct-DNA) and significant binding to bovine serum albumin (BSA). The complex also showed significant cytotoxicity in drug resistant breast cancer cells and has the potential to be a chemotherapeutic agent for breast cancer.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Fahimeh Dehghani Firuzabadi, Zahra Asadi
Summary: A novel manganese (II) complex of the quinolone antibacterial agent gemifloxacin with Mn2+ was synthesized and characterized, showing moderate interaction with DNA and improved antimicrobial activities compared to the parent gem drug. Density functional theory and docking studies were conducted to optimize the geometry and explore the binding information of the compounds to DNA.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Shaokang Jia, Wenjin Wang, Shanshan Qin, Shengjie Xie, Lisi Zhan, Qi Wei, Ziang Lu, Xiaolu Zhou, Cong Chen, Kun Chen, Shen Yan, Caiping Tan, Zongwan Mao, Xiang Zhou
Summary: A phosphorescent probe Ir-PDP containing an Ir(III) complex was designed and synthesized to evaluate the level of G4 in the cytoplasm. Compared with other nucleic acid secondary structures, Ir-PDP exhibited a higher phosphorescence lifetime after interacting with G4. Two-photon phosphorescence lifetime imaging was used to detect the binding events of the probe in the cytoplasm. The addition of G4 binder PDS significantly regulated cytoplasmic phosphorescence lifetime. This project explored a new sensing pathway to observe the binding manners of probes in the cytoplasm through the phosphorescence lifetime of probes.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Yu-Yi Ling, Wen-Jin Wang, Liang Hao, Xiao-Wen Wu, Jing-Hao Liang, Hang Zhang, Zong-Wan Mao, Cai-Ping Tan
Summary: This study presents a new ferrocene-containing Ir(III) photosensitizer that can be transported into TNBC cells and induce ferroptosis through a self-amplifying process. Treatment with this photosensitizer enhances anticancer immunity by activating immunogenic cell death in TNBC cells.
Article
Computer Science, Information Systems
Mingxin Gan, Caiping Tan
Summary: In this study, we proposed a model called MGCAN to incorporate various influential factors into different sequential patterns for next point-of-interest (POI) recommendation. Experimental results showed that the MGCAN model achieved better recommendation performance than benchmark models.
WORLD WIDE WEB-INTERNET AND WEB INFORMATION SYSTEMS
(2023)
Article
Chemistry, Multidisciplinary
Yiming Rao, Ting Fan, Lulu Zhou, Kang Fang, Yanting Sun, Xiaochun Hu, Anqi Wang, Ruihao Li, Zhounan Zhu, Chunyan Dong, Shuo Shi
Summary: A pH-sensitive nanoplatform is designed to enhance the therapeutic effect of chemodynamic therapy by increasing intracellular H2O2 and acidity. The nanoplatform releases loaded TAM and ICG under acidic conditions and increases the content of O2 and H2O2 through a synergistic effect. It also promotes the collapse of nanoparticles and the accumulation of intracellular H2O2 through a positive circulation. In addition, the nanoplatform combines photothermal therapy and starvation therapy with chemodynamic therapy.
JOURNAL OF CONTROLLED RELEASE
(2023)
Article
Engineering, Biomedical
Xiaochun Hu, Hui Li, Ruihao Li, Sufeng Qiang, Mengyao Chen, Shuo Shi, Chunyan Dong
Summary: Chemotherapy is still the main strategy for cancer treatment, but chemo-resistance and side effects limit its efficacy. In this study, an intelligent nanoplatform based on dendritic mesoporous organosilica nanoparticles (DMON) was developed for responsive drug release. The nanoplatform enabled a combined therapy (chemo/photothermal/photodynamic therapy), efficiently killing cancer cells and inhibiting tumor growth. Minimal systemic toxicity was observed in vivo, highlighting the potential of this nanoplatform for targeted and controlled chemotherapy drug delivery.
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Chemistry, Analytical
Ying Tu, Keke Chai, Junjie Wu, Yuan Hu, Shuo Shi, Danjing Yang, Tianming Yao
Summary: The aggregation of Tau proteins is closely related to the progression and severity of Alzheimer's disease. Developing selective imaging probes for Tau aggregates is challenging. This study designed three new fluorescent dyes and demonstrated the importance of side chain substitution in improving the selectivity of Tau probes.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Cell & Tissue Engineering
Pingting Ye, Lei Feng, Dan Zhang, Ruihao Li, Yixuan Wen, Xiaohan Tong, Shuo Shi, Chunyan Dong
Summary: Research shows that metformin can promote autophagy in hBMSCs and delay cellular senescence within a low concentration range, providing potential benefits for clinical stem cell therapy.
STEM CELLS INTERNATIONAL
(2023)
Article
Biochemical Research Methods
Xiaochun Hu, Guanghua Wang, Kang Fang, Ruihao Li, Chunyan Dong, Shuo Shi, Hui Li
Summary: Nanozymes, as nanomaterials with enzyme-mimetic catalytic properties, have attracted considerable attention in the field of biological detection. This study successfully prepared Fe-TCPP MOFs, which exhibited peroxidase (POD) activity by catalyzing H2O2 to produce ·OH. By combining Fe-TCPP with glucose oxidase (GOx), a cascade reaction was built, enabling the selective and sensitive detection of glucose with a limit of detection of 0.12 μM. Furthermore, a portable hydrogel (Fe-TCPP@GEL) encapsulating Fe-TCPP MOFs, GOx, and TMB was developed, allowing for easy colorimetric detection of glucose when paired with a smartphone.
ANALYTICAL BIOCHEMISTRY
(2023)
Article
Engineering, Environmental
Jia-Ying Zhou, Qing-Hua Shen, Xiao-Jing Hong, Wu-Ya Zhang, Qiao Su, Wu-Guo Li, Bin Cheng, Cai-Ping Tan, Tong Wu
Summary: This study demonstrates the potential of photodynamic therapy (PDT) in oral squamous cell carcinoma (OSCC) by designing two iridium(III) photosensitizers that target the endoplasmic reticulum (ER). The Ir1-mediated PDT treatment adaptively upregulates the expression of programmed death-ligand 1 (PD-L1) and stimulates dendritic cell maturation and T lymphocyte infiltration. It also synergizes with a PD-L1 inhibitor to transform an immune-suppressive cold tumor into an immune-responsive hot tumor.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Chemistry, Inorganic & Nuclear
Chunhui Wang, Xinda Yang, Chunyan Dong, Keke Chai, Juan Ruan, Shuo Shi
Summary: Copper is an essential micronutrient that plays a crucial role in promoting metabolism and maintaining basic biological functions. The imbalance of copper levels can have negative effects on cell function and metabolism. Therefore, copper-related agents have gained attention in the field of cancer therapy as a means to inhibit proliferation or induce cell death. This review provides a comprehensive summary of the recent developments in copper-related agents for cancer treatment, focusing on copper depletion and supplementation strategies. The challenges and future directions in the development of copper-related anticancer agents are also discussed.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Analytical
Ying Tu, Junjie Wu, Keke Chai, Xiaochun Hu, Yuan Hu, Shuo Shi, Tianming Yao
Summary: A turn-on unlabeled colorimetric aptasensor based on aptamer-polythymine (polyT)polyadenine (polyA)-gold nanoparticles (pA-pT-apt@AuNPs) was developed for highly sensitive and specific detection of amyloid- beta(1-40) oligomers (A beta 40-O), which is valuable for the early diagnosis of Alzheimer's disease (AD).
Article
Engineering, Biomedical
Kang Fang, Yanting Sun, Jingxian Yang, Xiaochun Hu, Mengyao Chen, Ruihao Li, Xinda Yang, Ting Fan, Junjie Wu, Xiaohan Tong, Chunyan Dong, Shuo Shi
Summary: An acid and glutathione (GSH) dual-controlled nanoplatform is designed to strengthen the antitumor efficacy and avoid toxicity to normal cells of cisplatin and triptolide through the synergy of 1+1 apoptosis and 1+1 ferroptosis. The nanosystem shows superior specificity and therapeutic outcomes while reducing the toxicity to normal cells/tissues.
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Anqi Wang, Xinda Yang, Ruihao Li, Lujing Shao, Wenrong Zhao, Xiaochun Hu, Kang Fang, Keke Chai, Shuo Shi, Chunyan Dong
Summary: An immunomodulatory nanoplatform was engineered to eradicate triple-negative breast cancer tumors through a combination of immunotherapy, chemotherapy, and photothermal therapy. The nanoplatform maximally activated dendritic cells, boosted the immune response, and reversed the immunosuppressive tumor microenvironment, resulting in enhanced tumor killing effects.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xiaochun Hu, Wenrong Zhao, Ruihao Li, Keke Chai, Fangjian Shang, Shuo Shi, Chunyan Dong
Summary: In this study, a multifunctional nanoplatform (MCDGF) was developed to improve the stability of DSF and enhance its anticancer effects through a cascade reaction. The nanoplatform integrated chemotherapy, starvation therapy, photothermal therapy, and immunotherapy to synergistically eliminate cancer cells and regulate the tumor immune microenvironment. This promising strategy holds potential for the clinical treatment of breast cancer using DSF.
Article
Chemistry, Multidisciplinary
Mohamed Nabeel Mattath, Haibin Zhang, Debasis Ghosh, Thimmaiah Govindaraju, Shuo Shi
Summary: Biocomputing, using DNAs as its primary building blocks, is the most promising alternative for next-generation molecular computers. DNA nanoclusters (NCs) have unique self-assembly properties and programmability, making them promising candidates for biosensing applications. Thymine overhang-modified DNA-templated NCs are chemosensing ensembles capable of driving elementary and complex logic operations. These NCs can also be used for advanced DNA logic devices and error detection.
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)