Article
Chemistry, Physical
Gosu Nageswara Reddy, Venkatramana Losetty, C. Hazarathaiah Yadav
Summary: A Schiff base ligand and its metal complexes were synthesized and characterized using elemental analysis, powder X-ray diffraction, FTIR, 1 H NMR spectra, and thermal studies. The ligand behaves as isobidentate and charge transfer transitions are most centered on the ligand. Interesting fragmentation patterns were observed from thermal, biological activity, and docking studies. The Cu(II) complex exhibited a significantly more stable interaction and a lower binding energy compared to the ligand and other metal complexes.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Taisiya A. Antonenko, Yulia A. Gracheva, Dmitry B. Shpakovsky, Mstislav A. Vorobyev, Dmitrii M. Mazur, Victor A. Tafeenko, Yury F. Oprunenko, Elena F. Shevtsova, Pavel N. Shevtsov, Alexey A. Nazarov, Elena R. Milaeva
Summary: A series of novel organotin(IV) complexes based on 2-(N-3 ',5 '-di-tert-butyl-4'-hydroxyphenyl)-iminomethylphenol (L) were synthesized and characterized. The crystal structures of L and complex 2 were determined. The complexes exhibited antioxidant, antiproliferative, and apoptosis-inducing activities.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Applied
Ayman A. Abdel A. Aziz, Ramadan M. M. Ramadan, Mina E. E. Sidqi, Mostafa A. A. Sayed
Summary: New mononuclear metal complexes derived from a tetradentate Schiff base ligand were successfully synthesized and characterized. The complexes exhibited strong binding affinity and antioxidant activity, particularly for Mn(II) and Cu(II) complexes. In vitro cell experiments demonstrated that the complexes had good anti-proliferative activity against tumor cells. The molecular geometry and DNA-interaction of the complexes were investigated using computational simulations and molecular docking experiments.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Eyup Basaran, Hatice Gamze Sogukomerogullari, Resit Cakmak, Senem Akkoc, Tugba Taskin-Tok, Ayseguel Kose
Summary: Two chiral Schiff base ligands were synthesized and their corresponding metal complexes were prepared. The compounds were characterized by various analytical methods. The cytotoxic effects of these compounds on cancer cells and healthy cells were evaluated, and L1-Pd(II) was identified as a promising anticancer drug candidate. Molecular docking results revealed the interaction between L1-Pd(II) and colon cancer antigen protein.
BIOORGANIC CHEMISTRY
(2022)
Article
Chemistry, Applied
Dina A. Tolan, Tahani Kashar, Kazunari Yoshizawa, Ahmed M. El-Nahas
Summary: A novel hydrazide-hydrazone ligand derived from isonicotinic acid was synthesized and seven mononuclear complexes with Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) were prepared and characterized. DFT studies were conducted to investigate the structures of the ligand and its complexes. The antimicrobial activities of the ligand and its complexes were compared, with the Hg(II) complex showing the best antibacterial and antifungal activity among all tested complexes.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Priyanka Devi, Kiran Singh, Bhupender Kumar, Jahnavi Kumari Singh
Summary: Many pyrazoles-based Schiff bases were reported to exhibit high activity against bacterial, parasitic strains, and cancer cells. A new pyrazole based 'NO' bidentate ligand was synthesized and metal complexes with Co+2, Ni+2, Cu+2, and Zn+2 were also prepared. The characterization of the compounds and their metal complexes was performed, and the metal complexes showed enhanced activity compared to the ligand. They exhibited significant anticancer and antibacterial activity, as well as antifungal activity.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Hanan B. Howsaui, Abeer A. Sharfalddin, Magda H. Abdellattif, Amal S. Basaleh, Mostafa A. Hussien
Summary: Novel anti-cancer transition metal complexes were successfully synthesized and characterized using Schiff base derived from 2-aminopyrazine and salicylaldehyde. The complexes exhibited different structures and properties under different metal ions, showing promising anti-cancer activity. The Cu(II) complex showed practical results with HOP-62 cell lines, while the Zn(II) and Co(II) complexes demonstrated non-toxicity at doses up to 370 mg/kg based on LD50 values.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Inorganic & Nuclear
Naveen Dhingra, J. B. Singh, Har Lal Singh
Summary: In recent years, research on inorganic-based metallodrugs has provided an effective mechanism for choosing metals and their properties. In this study, six new organotin and organosilicon complexes containing sulphur and nitrogen donor atoms were synthesized and characterized. The results showed that these metal complexes were more effective against bacteria and fungi compared to the free ligand, with compound 6 exhibiting the highest binding affinity.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Physical
Janusz Szklarzewicz, Anna Jurowska, Maciej Hodorowicz, Grzegorz Kazek, Monika Gluch-Lutwin, Jacek Sapa, Monika Papiez
Summary: This study presents the synthesis, properties, and biological activity of 16 new vanadium complexes with tridentate ONO Schiff base ligands based on 5-chloro- and 5-hydroxy-salicylaldehyde and selected hydrazides. Different types of complexes were synthesized at different oxidation states of vanadium and characterized using various spectroscopic methods. The stability of the complexes in solution and their inhibition of human tyrosine phosphatases were investigated and discussed.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Thermodynamics
Aniele de Moura, Jose Benedito Junior, Ana Carina Sobral Carvalho, Flavio Junior Caires
Summary: Schiff bases are organic compounds with broad biological activity and potential applications. This study focused on the synthesis of a Schiff base derived from 4-aminosalicylic acid and salicylaldehyde, as well as its metal complexes, using eco-friendly methods. Spectroscopic and thermal analysis techniques were used to characterize their structures and thermal behavior.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Chemistry, Physical
Mehmet Esref Alkis, Unzile Kelestemur, Yusuf Alan, Nevin Turan, Kenan Buldurun
Summary: A new Schiff base ligand and its metal complexes were synthesized and evaluated for their anticancer activities on colon cancer cells. The Co(II) and Ru(II) complexes showed significant anticancer properties, especially in combination with electrochemotherapy (ECT).
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Tadewos Damena, Digafie Zeleke, Tegene Desalegn, Taye B. Demissie, Rajalakshmanan Eswaramoorthy
Summary: In this study, novel cobalt and vanadium complexes were synthesized from an (E)-2-(((2-((2-hydroxyethyl) amino) quinolin-3-yl) methylene) amino)ethan-1-ol ligand (L), cobalt(II) chloride hexahydrate, and vanadyl(IV) sulfate in methanolic solutions. The ligand and complexes were characterized using various spectroscopic and physical techniques, and their antibacterial and antioxidant activities were evaluated. The results showed that the complexes exhibited better activities than the free ligand.
Article
Chemistry, Physical
Heba E. Hashem, Ashutosh Nath, Ajoy Kumer
Summary: The study focused on the synthesis, characterization, in vitro evaluation, and molecular dynamics study of Co(II) and Cu(II) metal containing Schiff base-metal complexes. The metal complexes showed higher antibacterial activity than the metal free ligands, with the highest activity observed against P. vulgaris. Computational tools, such as Density Functional Theory (DFT), molecular docking, and molecular dynamics, were used to evaluate the theoretical and biological activity, with results showing the Cobalt complex {L1-Co (4)} exhibiting the highest biological activity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
A. Z. El-Sonbati, M. A. Diab, Sh M. Morgan, S. Y. Abbas, Gehad G. Mohamed
Summary: A new series of transition metal complexes have been synthesized and characterized. The results show that these metal complexes have higher antibacterial and antifungal activity.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Review
Chemistry, Medicinal
Harshad R. Sonawane, Baliram T. Vibhute, Balasaheb D. Aghav, Jaydeep Deore, Sanjay K. Patil
Summary: In the past decade, there has been a significant increase in research on quinoline Schiff base metal complexes due to their versatile applications in various important fields. These complexes are employed in the biological, analytical, and catalytic domains. Researchers have found that Schiff bases exhibit enhanced biological activity when coordinated with metal ions. Quinoline and its derivatives, being heterocyclic compounds, have shown to be crucial in the field of biological sciences. These derivatives have been discovered to possess a broad spectrum of activity, making them effective therapeutic agents for various disorders.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Applied
Walaa H. Mahmoud, M. M. Omar, Yasmin M. Ahmed, Gehad G. Mohamed
APPLIED ORGANOMETALLIC CHEMISTRY
(2020)
Article
Chemistry, Inorganic & Nuclear
Walaa H. Mahmoud, Reem G. Deghadi, Gehad G. Mohamed
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2020)
Article
Spectroscopy
Nadia G. Zaki, Walaa H. Mahmoud, Ahmed M. El Kerdawy, Abanoub Mosaad Abdallah, Gehad G. Mohamed
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2020)
Article
Chemistry, Multidisciplinary
Ola A. Shabaan, Hossam S. Jahin, Gehad G. Mohamed
ARABIAN JOURNAL OF CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Najlaa S. Al-Radadi, Ehab M. Zayed, Gehad G. Mohamed, Hayam A. Abd El Salam
JOURNAL OF CHEMISTRY
(2020)
Article
Engineering, Multidisciplinary
A. M. Fekry, S. A. Abdel-Gawad, R. H. Tammam, M. A. Zayed
Article
Chemistry, Analytical
M. A. Zayed, Ashraf A. Abbas, Walaa H. Mahmoud, Aya E. Ali, Gehad G. Mohamed
MICROCHEMICAL JOURNAL
(2020)
Article
Chemistry, Applied
Mahmoud F. Mubarak, Mohamed A. Zayed, Ayman Nafady, Abeer E. L. Shahawy
Summary: The study focused on the design and fabrication of membranes based on waste polyethylene/porous activated-metakaolinite thin film nanocomposites, achieving efficient removal of toxic heavy metal ions from synthetic wastewater solutions. The nanocomposite membranes showed significant improvements in porosity, hydrophilicity, and hydraulic resistance, with high clay dosage leading to increased flux and rejection capability. Ultimately, the constructed membranes exhibited maximum removal capability for Cd(II), Pb(II), and Cu(II) ions in synthetic wastewater solutions.
ADSORPTION SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Mohamed A. Zayed, Zahraa A. Abo-Ayad, Shymaa S. Medany
Summary: The research demonstrates the importance of using graphite as an electrode material for the electrochemical oxidation of DO26 textile dye, showing satisfactory results. Attention was given to both decolorization and degradation of the dye from synthetic and natural wastewater, with a successful rate of 97.95% under selected proper conditions.
Article
Chemistry, Applied
Ehab M. Zayed, Mohamed A. Zayed, Mohamed A. A. Radwan, Fahad M. Alminderej
Summary: A novel ligand and its chelates of transition metal ions were synthesized, characterized, and evaluated for antibacterial activities. Structural properties were explored through various analytical techniques, showing potential interaction with bacterial proteins.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Zahraa A. Abo-Ayad, Mohamed A. Zayed, Mahmoud A. Noamaan
Summary: This study focuses on studying the structure stability of direct orange dye 26 (DO26) using both practical and theoretical approaches. The research found a correlation between experimental and calculated data, with a discussion on the intramolecular hydrogen bonding interaction in the dye skeleton. The results provide insight into the degradation and removal of the dye from its environmental media.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Analytical
Mohamed M. Taha, Mahmoud S. Rizk, Mohamed A. Zayed, Fatehy M. Abdel-Haleem, Ahmed Barhoum
Summary: Monitoring glucose levels using optochemical sensors is important for both diabetics and tracking embryonic development in human embryo culture media. This study fabricated an optimized optode membrane for glucose determination in serum from diabetic patients and culture media of human embryos, showing good accuracy and precision.
Article
Chemistry, Multidisciplinary
M. M. Taha, M. A. Zayed
Summary: This study used novel mixed reagents to determine the phosphate content in human embryos' culture medium using spectrophotometry. The results showed that the method had high sensitivity and accuracy, and could be successfully applied for measuring phosphate content in actual human embryos' culture medium.
EGYPTIAN JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
M. A. Zayed, Mahmoud F. Zawarah, Mustafa R. K. Ali
Summary: The aim of this research is to prepare dense sintered nano-SiC using different starting materials and sintering techniques, examining the effect of oxide additives on the properties of the sintered body.
EGYPTIAN JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Mohamed A. Zayed, Mohamed M. Rashad, Diaa Rayan, M. Shimaa
Summary: The study focused on the removal of Cr (VI) using synthesized zinc aluminate nanomaterials doped with copper (II), demonstrating their optical properties and catalytic performances. Batch experiments showed effective adsorption of chromium, and the impact of doped copper ions and co-dopants on the removal process was analyzed using inductively coupled plasma (ICP) analysis.
EGYPTIAN JOURNAL OF 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)