Article
Chemistry, Physical
Abdalla M. Khedr, Ayman A. Gouda, Hoda A. El Ghamry
Summary: In this study, novel chelates of a sulfamerazine-resorcinol azo-dye ligand with various metal ions were synthesized and investigated. The complexes showed promising antimicrobial and antitumor activities, with the Ni(II) complex exhibiting the highest anticancer activity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Mohamed Ali Ibrahim Al-Gaber, Hany M. Abd El-Lateef, Mai M. Khalaf, Saad Shaaban, Mohamed Shawky, Gehad G. Mohamed, Aly Abdou, Mohamed Gouda, Ahmed M. Abu-Dief
Summary: A new heterocyclic azo dye ligand (L) was synthesized and coordinated with various metal ions to form complexes. The structures of the complexes were determined using multiple techniques. The ligand exhibited tri-dentate behavior and coordinated to the metal ions through multiple functional groups. The complexes showed good antimicrobial activity and potential for future study.
Article
Environmental Sciences
Han-Qing Zhao, Nannan Hou, Yi-Ran Wang, Wen-Qiang Li, Qi Liu, Peili Lu, Yang Mu
Summary: This study reveals the relationship between the chemical structure of azo dye molecules and their chemical and biological reduction decolorization rate, and provides a universal reduction rule.
ENVIRONMENTAL RESEARCH
(2022)
Article
Chemistry, Physical
Dunya Yousif Fnfoon, Khalid J. Al-Adilee
Summary: In this study, the complexation of Cu(II), Ag(I), and Au(III) ions with a newly synthesized azo imidazole ligand was investigated. The compounds were characterized by various techniques, and their anticancer properties were evaluated. The results demonstrated that the synthesized compounds exhibited promising anticancer properties and could be potential candidates for future anti-tumor drug applications.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Nevin Turan, Kenan Buldurun, Ragip Adiguzel, Abdulmelik Aras, Fikret Turkan, Ercan Bursal
Summary: In this study, novel azo dye metal complexes were synthesized and tested for their biochemical properties, including antioxidant and enzyme inhibitory activities. The results showed that the Ru(II) complex exhibited the best inhibition values against GST, AChE, and BChE enzymes.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Moamen S. Refat, Hosam A. Saad, Adil A. Gobouri, Mohammed Alsawat, Abdel Majid A. Adam, Samy M. El-Megharbel
Summary: This study synthesized nanostructured CuO, Co3O4, and NiO oxides through the thermal decomposition of precursors, and compared their catalytic degradation performance on Congo red dye.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Environmental
Tong Li, Xinao Li, Wei He, Wenwen Gu, Yu Li
Summary: This study aims to design environmentally friendly and high-performance substitutes for Azo Dyes. Through evaluating the molar extinction coefficient and color fastness of 27 substitutes, a potential substitute was screened out. The study also revealed the synthetic possibility and characteristic enhancement mechanism of various substitutes.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Inorganic & Nuclear
Mads Sondrup Moller, Jacob Kongsted, Christine J. McKenzie
Summary: This study discusses the coupling of selective C-H activation with O-2 activation in organic synthesis, highlighting the connection between O-2 activation and C-H activation by classic Co(salen) complexes and the mechanism of forming various complexes. DFT calculations demonstrate the participation of different intermediates in hydrogen atom transfer reactions, with the reaction conditions and solvent substrates properties determining the reaction pathways.
DALTON TRANSACTIONS
(2021)
Article
Biochemistry & Molecular Biology
R. Reshma, R. Selwin Joseyphus, D. Arish, R. Jaya Reshmi Jaya, J. Johnson
Summary: A novel Schiff base was synthesized by condensation of imidazole-2-carboxaldehyde with l-histidine, which was then complexed with a series of 3-d metal(II) ions. The complexes exhibited excellent antibacterial and antifungal activities in vitro, with electronic spectra and magnetic moment data indicating an octahedral geometry for most complexes.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biology
Hany M. Abd El-Lateef, Mai M. Khalaf, Mahmoud Kandeel, Amer A. Amer, Antar A. Abdelhamid, Aly Abdou
Summary: Three new Fe(III), Ni(II), and Cu(II) complexes (FeAZD, NiAZD, and CuAZD) were synthesized and characterized. The FeAZD and CuAZD complexes exhibited octahedral geometry, while the NiAZD complex had a tetrahedral geometry. The CuAZD complex showed the highest antibacterial and antifungal activity.
COMPUTATIONAL BIOLOGY AND CHEMISTRY
(2023)
Article
Chemistry, Physical
Tarun Chaudhary, Manoj Kumar Chaudhary, Sudha Jain, Poonam Tandon, Bhawani Datt Joshi
Summary: Experimental techniques and quantum chemical calculations were used to explore the physicochemical properties of a plant-derived natural product, isococculidine. The study found that molecular interactions, charge transfer, chemical activity, and toxicity are important factors for this molecule. Additionally, isococculidine demonstrated significant nonlinear optical properties and biological activity.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Asma A. Alothman, Munirah D. Albaqami, Razan A. Alshgari
Summary: The present study focused on synthesizing novel azo-dye Cu(II), Ni(II) and Co(II) chelates of Schiffbase based ligands with antimicrobial properties. The chelates displayed superior inhibition potential against pathogenic fungi and bacteria compared to the parent ligand due to enhanced antimicrobial activity attributed to chelation. Spectral studies and thermal analysis confirmed the octahedral geometry of the chelates.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Safa Faris Kayed
Summary: This study synthesized and characterized metal complexes of three azo compounds, and investigated their structures and properties through experimental and computational methods. The results showed that these complexes have potential anti-inflammatory activity, and exhibit color bleaching under gamma irradiation.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Food Science & Technology
Pronit Biswas, Juli Jain, Whidul Hasan, Devasish Bose, Rajesh Singh Yadav
Summary: This study investigated the effects of Azo Food dyes on rats, showing that long-term exposure to these dyes can lead to cognitive impairment, oxidative stress, mitochondrial dysfunction, neuro-enzyme activities, and histopathological changes. These findings suggest a potential risk associated with the use of Azo Food dyes in the food industry.
FOOD AND CHEMICAL TOXICOLOGY
(2023)
Article
Chemistry, Physical
Mohamed H. Abdel-Rhman, Ahmed A. El-Asmy, Reyad Ibrahim, Nasser M. Hosny
Summary: Schiff bases are important compounds with various applications, especially in the field of biology. Metal complexes derived from 2-((4-oxopentan-2-ylidene)amino)benzoic acid (H2L) with Co(II), Zn(II), Cu(II), and Ni(II) were isolated and characterized. The synthesized compounds displayed good agreement between their HOMO-LUMO energy gap (AEH-L) calculated using DFT and their experimentally determined optical band gap (Eg). The Ni(II) and Zn(II) complexes showed the highest antimicrobial activity against Staphylococcus aureus, Vibrio cholerae, Aspergillus Niger, and Aspergillus flavus.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Essam S. A. E. H. Khattab, Ahmed Ragab, Mahmoud A. Abol-Ftouh, Ahmed A. Elhenawy
Summary: Currently, there are no registered drugs or vaccines available to effectively treat the pandemic viral disease caused by SARS-CoV-2. Researchers are using molecular docking and dynamics simulations to study new small molecules as potential therapies, predicting the potential of these drugs in inhibiting the virus.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Organic
Shareefa Ahmed Saleh Alzahrani, Syed Nazreen, Ahmed A. Elhenawy, Thikryat Neamatallah, Mohammad Mahbbob Alam
Summary: A new series of benzimidazole-1,2,3-triazole hybrids were successfully synthesized and characterized in this study. The compounds exhibited promising antibacterial and anticancer activities, with compounds 7 and 9 showing comparable antibacterial activity to the standard drug and compound 6 demonstrating the most potent anticancer activity. Molecular docking experiments suggested that the compounds with promising cytotoxicity interacted with the EGFR protein similarly to erlotinib.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Environmental Sciences
Shahad Ayed Alahmady, Syed Nazreen, Ali Q. Alorabi, Ahmed A. Elhenawy
Summary: In this work, a novel chromone-based Schiff base ligand (HL) was designed and synthesized for the detection of Fe3+ ions. The ligand showed highly selective detection and significant color change upon Fe3+ binding. The sensor was characterized using various spectroscopic techniques and showed good performance in real samples.
ENVIRONMENTAL TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Fawzia F. Albalawi, Mohammed A. A. El-Nassag, Raafat A. El-Eisawy, Mahmoud Basseem I. Mohamed, Ahmed M. Fouda, Tarek H. Afifi, Ahmed A. Elhenawy, Ahmed Mora, Ahmed M. El-Agrody, Heba K. A. El-Mawgoud
Summary: Beta-enaminonitriles with 9-hydroxy-1H-benzo[f]chromene moiety were synthesized and evaluated for their anti-proliferative activity. The compounds showed potent inhibitory effects against human tumor cell lines PC-3, SKOV-3, and HeLa, outperforming Vinblastine and Doxorubicin. Some compounds exhibited strong activity against MCF-7/ADR cells and were tested as P-gp inhibitors. Moreover, halogenated substituents 2,4-F-2, 2,3-Cl-2, 2,5-Cl-2, and 3,4-Cl-2 showed good potency against P-gp-mediated multidrug resistance in MCF-7/ADR cells compared to Doxorubicin. These compounds also inhibited P-gp efflux function and induced apoptosis and cell cycle arrest in treated MCF-7/ADR cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Lali M. Al-Harbi, Eman A. Al-Harbi, Rawda M. Okasha, R. A. El-Eisawy, Mohammed A. A. El-Nassag, Hany M. Mohamed, Ahmed M. Fouda, Ahmed A. Elhenawy, Ahmed Mora, Ahmed M. El-Agrody, Heba K. A. El-Mawgoud
Summary: A series of 1H-benzo[f]chromene moieties were synthesized under ultrasonic irradiation and confirmed with spectral analyses. The anti-proliferative efficacy of the synthesized compounds was explored against various cancer cells and normal cells. Compounds with good potency against MCF-7/ADR were also tested as P-gp expression inhibitors. The results showed that certain compounds effectively inhibited P-gp expression and induced apoptosis and cell cycle changes.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hamid Laaroussi, Abdelouahad Aouniti, Ouafae Mokhtari, Baraa Hafez, Ryan Adnan Sheikh, Manal Y. Sameeh, Manal M. Khowdiary, Suliman A. Alderhami, Ahmed A. Elhenawy, Mohamed El Azzouzi, Ilyesse Rahhou, Chaouki Belbachir, Belkheir Hammouti, Taibi Ben Hadda, Hicham Elmsellem
Summary: The present research evaluates the effect of the extraction process on the chemical composition, antioxidant activities, and corrosion inhibition ability of Argania spinosa's extracts. The extracts showed good corrosion inhibition capacity and antioxidant activity.
APPLIED SCIENCES-BASEL
(2022)
Article
Biochemistry & Molecular Biology
Mohammed-yassin Hjouji, Ahmed M. M. Almehdi, Hicham Elmsellem, Yousra Seqqat, Younes Ouzidan, Mohamed Tebbaa, Noura Ait Lfakir, Youssef Kandri Rodi, Fouad Ouazzani Chahdi, Marwa Chraibi, Kawtar Fikri Benbrahim, Mohamed A. A. Al-Omar, Abdulrahman A. A. Almehizia, Ahmed M. M. Naglah, Shaima A. A. El-Mowafi, Ahmed A. A. Elhenawy
Summary: 4,5-b-Pyridine reacted with benzaldehyde to form 6-Bromo-2-phenyl-3H-imidazo[4,5-b]pyridine (1) which reacted with a variety of halogenated derivatives under solid-liquid phase transfer catalysis conditions to obtain the expected regioisomers compounds (2-8). The spectral data, X-ray diffraction, and DFT method were used to determine the structures of the synthesized compounds. Molecular docking study revealed that compounds 2 and 4 showed promising interactions with the active sites of DHFR and exhibited antibacterial activity against Gram-positive bacteria (Bacillus cereus) and Gram-negative bacteria (Escherichia coli).
Article
Microbiology
Heba El-Sayed, Marwa. A. A. Hamada, Ahmed. A. A. Elhenawy, Hana Sonbol, Asmaa Abdelsalam
Summary: This study aimed to investigate marine fungal bioactive compounds with potential antibacterial, antioxidant, and acetylcholinesterase inhibitory effects. Penicillium chrysogenum MZ945518, a halotolerant strain isolated from the Mediterranean Sea in Egypt, showed antifungal and antibacterial activity, as well as antioxidant and acetylcholinesterase inhibitory activity. GC/MS analysis identified 20 metabolites, including (Z)-18-octadec-9-enolide and 1,2-Benzenedicarboxylic acid, as the most prevalent compounds. Molecular docking experiments confirmed the interactions between the major metabolites and target proteins, validating the antimicrobial and antioxidant activity of the extract.
Article
Chemistry, Multidisciplinary
Syed Nazreen, Serag Eldin I. Elbehairi, Azizah M. Malebari, Nuha Alghamdi, Reem F. Alshehri, Ali A. Shati, Nada M. Ali, Mohammad Y. Alfaifi, Ahmed A. Elhenawy, Mohammad Mahboob Alam
Summary: Semisynthetic modification of eugenol has produced new anticancer agents, with compound 17 showing the highest cytotoxicity and being a thymidylate synthase inhibitor. It induced apoptosis, arrested the cell cycle, and displayed a similar interaction to 5-fluorouracil. In silico pharmacokinetics and DFT computational studies supported its potential as an orally available drug.
Article
Chemistry, Medicinal
Ali Irfan, Shah Faisal, Ameer Fawad Zahoor, Razia Noreen, Sami A. Al-Hussain, Burak Tuzun, Rakshanda Javaid, Ahmed A. Elhenawy, Magdi E. A. Zaki, Sajjad Ahmad, Magda H. Abdellattif
Summary: This article presents in silico approaches for evaluating the chemotherapeutic efficacy of benzofuran-1,3,4-oxadiazole compounds containing S-linked N-phenyl acetamide moiety. The study revealed that BF3, BF4, and BF8 derivatives exhibited excellent binding energies against the Mtb Pks13 enzyme, comparable to the standard TAM-16 inhibitor. Among them, the bromobenzofuran-oxadiazole derivative BF4 showed the highest binding affinity.
Article
Chemistry, Physical
Ibraheem O. Ali, Ahmed A. Elhenawy, Ahmed Elhadad, Islam Ibrahim, Mostafa F. Bakr, Tarek M. Salama
Summary: Complexes of poly (vinyl alcohol-nicotinic acid) with ZnII (ZnII/PVA-NA) were synthesized and characterized using various spectroscopic techniques. The thermal degradation behavior of PVA-NA and ZnII/PVA-NA copolymers was evaluated, and the computational simulation study showed the stability of the tested structures. The ZnII/PVA-NA complexes exhibited strong antibacterial and antifungal activities. Rating: 8 out of 10.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Islam M. Abdellah, Mohamed R. Eletmany, Antar A. Abdelhamid, Haitham S. Alghamdi, Ashraf N. Abdalla, Ahmed A. Elhenawy, Fawy M. Abd El Latif
Summary: Novel pyridine-3-carbonitrile derivatives (4a-j) were synthesized using a four-component reaction, and their binding affinity, cytotoxicity, and antimicrobial activity were investigated. Compound 4a displayed the highest binding affinity towards DHFR, while compound 4d showed the strongest binding affinity towards HT-hTS. Compound 4a exhibited cytotoxic activity against all cancer cell lines and a lower cytotoxic effect on normal cells. It also showed potent antimicrobial activity against E. coli strains.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Mohammad Mahboob Alam, Serag Eldin I. Elbehairi, Ali A. Shati, Rania A. Hussien, Mohammad Y. Alfaifi, Azizah M. Malebari, Mohammad Asad, Ahmed A. Elhenawy, Abdullah M. Asiri, Ali M. Mahzari, Reem F. Alshehri, Syed Nazreen
Summary: Synthetic modification of eugenol, a natural anticancer agent, resulted in the production of new 1,3,4-oxadiazole analogues as inhibitors of thymidylate synthase. Compound 9 and 17 showed promising cytotoxicity against breast cancer and prostate cancer cells, without any side effects.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
S. M. Syam, Ahmed. A. Elhenawy, Ehab Gad, H. Nady, Salah Eid
Summary: Utilizing albumin egg as a corrosion inhibitor in alkaline solutions shows a highly effective inhibitory effect for copper corrosion, with an inhibition efficiency of up to 94%. The albumin egg forms an adsorption layer on the surface, shielding the copper from harmful ions and following the Langmuir isotherm during adsorption. Computational and molecular dynamics simulation techniques confirm the empirical results and provide insights into the electronic characteristics of the inhibitor molecules.
Article
Chemistry, Multidisciplinary
Abdulraheem S. A. Almalki, Syed Nazreen, Serag Eldin I. Elbehairi, Mohammad Asad, Ali A. Shati, Mohammad Y. Alfaifi, Abdulrahman Alhadhrami, Ahmed A. Elhenawy, Ali Q. Alorabi, Abdullah M. Asiri, Mohammad Mahboob Alam
Summary: In this study, new compounds with benzimidazole derivatives bearing 1,3,4-oxadiazoles were synthesized and their anticancer activity and mechanism were investigated. The results showed that compounds 10 and 14 exhibited higher sensitivity and lower IC50 values against lung, ovarian and breast cancer cells, and showed significant inhibition of thymidylate synthase. Compounds 10 and 14 exerted their anticancer effects by arresting the cell cycle and inducing apoptosis.
NEW JOURNAL OF CHEMISTRY
(2022)
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)