Article
Chemistry, Physical
K. J. Rajimon, N. Elangovan, Ali Amir Khairbek, Renjith Thomas
Summary: Schiff bases with salicylaldehyde were successfully synthesized and characterized using various spectroscopic techniques. The compounds showed fluorescence properties and exhibited significant antimicrobial activity. Molecular docking studies revealed their binding interactions with a protein of Staphylococcus aureus, confirming their potential as biological agents.
JOURNAL OF MOLECULAR LIQUIDS
(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
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
Chemistry, Multidisciplinary
Sanjeev Kumar, Jai Devi, Amit Dubey, Deepak Kumar, Deepak Kumar Jindal, Sonika Asija, Archana Sharma
Summary: In this study, three Schiff base ligands [H2L1-H2L3] and their Co(II), Ni(II), Cu(II), and Zn(II) complexes were synthesized. The structural traits of the compounds were analyzed using various techniques, and it was found that the ligands acted as tridentate (ONO) and formed complexes with octahedral geometry. The metal complexes showed multi-step decomposition in thermogravimetric analysis, leaving metal oxide as the end product. Molecular docking studies revealed favorable hydrophobic interactions between some compounds and the active site of the DNA gyrase enzyme.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Chemistry, Physical
Yasmin M. Ahmed, Gehad G. Mohamed
Summary: A new tetradentate Schiff base ligand was synthesized and characterized, and its complexes were investigated for their antimicrobial activity. The results showed that the ligand could form complexes with metal ions, and the metal chelation enhanced the antimicrobial activity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Ahmed M. Abu-Dief, Nouf H. Alotaibi, Eida S. Al-Farraj, Hamza A. Qasem, Seraj Alzahrani, Metwally K. Mahfouz, Aly Abdou
Summary: Coordination compounds of Ag(I), Cu(II), Ni(II), Fe(III), and VO(II) ions were synthesized and their structures were investigated. The ligand formed specific structures with the ions. The structures of the compounds were optimized using density functional theory, and critical theoretical factors were calculated. Furthermore, the biological activities of the compounds were studied using molecular docking and in vitro experiments.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Mahak Dalal, Nidhi Antil, Binesh Kumar, Jai Devi, Sapana Garg
Summary: This research study focuses on the biological efficacy of a newly synthesized Schiff base ligand and its aryltellurium(IV) complexes. The synthesized compounds were characterized using various physical and spectral investigations, and theoretical chemical estimations were also conducted. The results showed that the complexes exhibited mild to strong antimicrobial activity, with higher activity than the Schiff base. Molecular docking experiments revealed the ability of the compounds to bind to receptors. ADMET results indicated favorable drug-like behavior of the synthesized compounds. Overall, these complexes may serve as promising candidates for infection ailments.
INORGANIC CHEMISTRY COMMUNICATIONS
(2024)
Article
Chemistry, Physical
Mohammed Bouhdada, Mohamed EL Amane, Hicham EL Hamdani, Zakaria Khiya
Summary: In this study, salicylidene-aniline Schiff base and its complexes with caffeine were synthesized and characterized. The antimicrobial activity of the complexes was tested, showing moderate-to-good activity.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
S. Sowrirajan, N. Elangovan, G. Ajithkumar, A. Sirajunnisa, B. R. Venkatraman, Mohamed M. Ibrahim, Gaber A. M. Mersal, Renjith Thomas
Summary: Infrared, Raman, 1HNMR, 13CNMR, and VU-Visible spectroscopy were used to characterize the newly synthesized compound PFDA. The compound exhibited good physicochemical properties and drug-like characteristics, with potential antimicrobial activity against various bacteria and fungi.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
S. Manivel, Bhavya S. Gangadharappa, N. Elangovan, Renjith Thomas, Ola A. Abu Ali, Dalia Saleh
Summary: A new Schiff base compound was synthesized and characterized using various spectroscopic techniques. The electronic structure of the compound and its interaction with solvent water were studied computationally. The compound was found to exhibit antibacterial and antifungal activity, which was confirmed by predictions and experimental studies.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Applied
Adel Z. El-Sonbati, Mostafa A. Diab, Ahmed K. El-Sayed, Mohamed Abou-Dobara, Sameh A. El-Sayad
Summary: Metal complexes of a Schiff base ligand derived from 2,4-dihydroxybenzaldehyde and p-nitroaniline were synthesized and characterized. The complexes showed antibacterial, antifungal, and cytotoxic activities, and the ligand exhibited high binding affinity to various receptors.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Spectroscopy
Guherguel Ulucam, Ufuk Bagci, Aysen Suekinci Yilmaz, Busra Yenturk
Summary: Three new phenanthroline-derived ligands were synthesized using the Schiff base condensation method and their structures and properties were characterized by spectral techniques and calculations. These ligands exhibited antimicrobial and anticancer activities, as well as good docking interactions with bovine serum albumin.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
N. Elangovan, Renjith Thomas, S. Sowrirajan
Summary: The synthesis and characterisation of a new Schiffbase compound DITH was reported in this study, with its properties analysed using various spectral techniques. The compound showed excellent drug-likeness properties and significant inhibition against bacteria and fungi growth.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Hanan B. Howsaui, Amal S. Basaleh, Magda H. Abdellattif, Walid M. Hassan, Mostafa A. Hussien
Summary: Three novel 2-aminopyrazine Schiff bases and their uranyl complexes were synthesized and characterized, with studies on DNA binding and anticancer activities showing promising results. Molecular docking analysis provided insights into interactions with cancer proteins.
Article
Chemistry, Physical
Sakshi Gupta, Sandhya Savita, Ajay Prakash, Tahmeena Khan, Kulsum Satya, Kulsum Hashmi, Seema Joshi
Summary: The synthesis and spectroscopic analysis of the bioactive molecule (E)-4-((2-carbamothioylhydrazineylidene)methyl)benzoic acid (ligand) were conducted using techniques such as ESI-MS, FT-IR, 1H and 13C-NMR, and UV-Vis. The computational results for FT-IR, NMR (1H and 13C), and UV-Vis were found to be consistent with the experimental spectra. Docking of four antimicrobial Enoyl-Acyl Carrier Protein Reductases with the ligand nicotinamide-adenine-dinucleotide (NADH) (PDBID:1D7O) showed the lowest binding energy (-7.2 kcal/mol). Drug-likeness studies confirmed the good bioavailability score of the molecule. The synthesized ligand exhibited antibacterial activity, with Salmonella sp. showing the highest zone of inhibition.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
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
Chemistry, Applied
Hany M. Abd El-Lateef, Mai M. Khalaf, Mahmoud Kandeel, Amer A. Amer, Antar A. Abdelhamid, Aly Abdou
Summary: The main purpose of this study is to design and synthesize new Co(II), Ni(II), and Cu(II) mixed-ligand complexes derived from an easily synthesized azo-ligand, [2-(phenylthio)phenyl]diazenyl}-2-naphthol (HTe), with 8-hydroxyquinoline (HQ) for antimicrobial activity evaluation. The complexes were characterized and their molecular structures were optimized using DFT calculations. The disc diffusion test showed that the prepared complexes exhibited higher antibacterial activity compared to the pristine ligands. Molecular docking studies revealed potential antibiotic properties of these complexes. The correlation between in vitro activity and DFT/molecular docking data was discussed.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hany M. Abd El-Lateef, Antar A. Abdelhamid, Mai M. Khalaf, Mohamed Gouda, Nadia. A. A. Elkanzi, Hemdan El-Shamy, Ali M. Ali
Summary: A functional and environmentally green procedure for the design of novel pyridine derivatives 5a-h and 7a-d was presented. The compounds were synthesized through two pathways: a microwave-assisted one-pot reaction with high yield, pure products, and short reaction time, and a traditional refluxing method with lower yield and longer reaction time. The novel compounds showed promising anti-inflammatory activity in vitro.
Article
Chemistry, Applied
Hany M. Abd El-Lateef, Mai M. Khalaf, Amer A. Amer, Antar A. Abdelhamid, Aly Abdou
Summary: The aim of this study was to synthesize and characterize new metal complexes incorporating bioactive 8-hydroxyquinoline moiety and investigate their antibacterial, antifungal, and anti-inflammatory potential. The metal complexes showed enhanced antimicrobial and anti-inflammatory properties compared to the original ligands, suggesting their potential as future antibiotics and anti-inflammatory candidates.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Applied
Mahmoud Abd El Aleem Ali Ali El-Remaily, Tarek El-Dabea, Rafat M. El-Khatib, Aly Abdou, Mohamed A. El Hamd, Ahmed M. Abu-Dief
Summary: Three GUBZCu, GUBZVO, and GUBZPd chelates were synthesized and characterized in terms of their molecular formula, stability constant, and catalytic performance. The results confirmed the promising catalytic activity and selectivity of these chelates in environmentally friendly synthesis reactions.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
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, Inorganic & Nuclear
Hany M. Abd El-Lateef, Mai M. Khalaf, Mahmoud Kandeel, Aly Abdou
Summary: In this study, three new complexes based on Ciprofloxacin (CPFX) and 2-(1H-benzimidazol-2-yl)phenol (2-Bip) were prepared and characterized. The structures were determined using various analytical techniques, and the ligands exhibited mono-negatively bi-dentate behavior. Quantum chemistry simulations were performed to optimize the structures and investigate the frontier orbitals. The prepared complexes showed enhanced antibacterial activity and antioxidant characteristics compared to the free ligand CPFX.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Ahmed M. Abu-Dief, Rafat M. El-Khatib, Tarek El-Dabea, Aly Abdou, Faizah S. Aljohani, Eida S. Al-Farraj, Ibrahim Omar Barnawi, Mahmoud Abd El Aleem Ali Ali El-Remaily
Summary: New medicinally active chelates were synthesized from Cu(II), VO(II), Ag(I), and Pd(II) ions using the N-(1H-Benzoimidazol-2-yl)-guanidine (BIG) ligand. The compounds were characterized using various techniques and theoretical studies were conducted to identify important features. The chelates exhibited good stability in solution and showed promising biological activities, including antimicrobial, antioxidant, and anticancer properties. These results suggest that the studied chelates have the potential to be used as bioactive agents.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Editorial Material
Environmental Sciences
Gassan Hodaifa, Antonio Zuorro, Joaquin R. Dominguez, Juan Garcia Rodriguez, Jose A. Peres, Zacharias Frontistis, Mha Albqmi
Article
Chemistry, Multidisciplinary
Ahmed M. El-Saghier, Aly Abdou, Mounir A. A. Mohamed, Hany M. Abd El-Lateef, Asmaa M. Kadry
Summary: The El-Saghier reaction is a novel, general, and green reaction that can synthesize imidazolidin-4-ones and bis-N-(alkyl/aryl) imidazolidin-4-ones by reacting various amines with ethyl cyanoacetate and ethyl glycinate hydrochloride under neat conditions. The reaction has a short duration (2 h) and high yields (90-98%), while avoiding the use of hazardous solvents. The synthesized compounds showed antibacterial activity, with N,N'-(propane-1,3-diyl) bis(2-(4-oxo-4,5-dihydro-1H-imidazole-2-yl) acetamide) exhibiting the highest antibacterial percentage value (80.0%) against Escherichia coli.
Article
Chemistry, Multidisciplinary
Hany M. Abd El-Lateef, Mai M. Khalaf, Amer A. Amer, Mahmoud Kandeel, Antar A. Abdelhamid, Aly Abdou
Summary: This study synthesized three new CrAz(2), MnAz(2), and FeAz(2) complexes and investigated their properties through various analyses. The azo-ligand, 4-(2-hydroxyphenylAzo)-1-naphthol(Az), binds with metal ions through its nitrogen and oxygen atoms. The metal complexes exhibit higher inhibitory activity against certain organisms compared to the free ligand.
Article
Chemistry, Inorganic & Nuclear
Saad Shaaban, Yasair S. Al-Faiyz, Ghayah M. Alsulaim, Mohamed Alaasar, Nasser Amri, Hussein Ba-Ghazal, Ahmed A. Al-Karmalawy, Aly Abdou
Summary: Herein, organic selenide-based maleanilic and succinanilic acids were synthesized with good yields (up to 95%). Their structures were confirmed by spectroscopic techniques, and their pharmacokinetics, drug-likeness characteristics, geometries, and chemical and electronic properties were studied using various methods. Furthermore, the ability of the organic selenides to inhibit the SARS-CoV-2 Mpro target was investigated, and molecular dynamics simulations were performed to evaluate their behavior within the binding pocket.
Article
Biochemistry & Molecular Biology
Ahmed M. El-Saghier, Souhaila S. Enaili, Aly Abdou, Asmaa M. Kadry
Summary: This study synthesized a series of novel spiro-N-(4-sulfamoylphenyl)-2-carboxamide derivatives using a green synthesis method. The synthesized compounds showed strong binding affinity with the SARS-CoV-2 Mpro enzyme, indicating their potential for COVID-19 drug development.
MOLECULAR DIVERSITY
(2023)
Article
Chemistry, Inorganic & Nuclear
Hany M. Abd El-Lateef, Mai M. Khalaf, Fakiha El-Taib Heakal, Aly Abdou
Summary: In this study, three new mixed-ligand complexes were synthesized and their antibacterial, antifungal, and antioxidant potential were investigated. The structures of the complexes were characterized using various analytical techniques and optimized using density functional theory calculations. The complexes exhibited high antimicrobial activity against various pathogenic strains and strong binding affinity towards target receptors.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Masoume Malmir, Majid M. Heravi, Zahra Yekke-Ghasemi, Masoud Mirzaei
Summary: In this study, a tri-component composite consisting of Fe3O4 nanoparticles, Keggin-type polyoxometalate, and graphene oxide was prepared and investigated as a catalyst for the oxidation of sulfides to sulfoxides. The catalyst showed excellent stability, high yields, and recyclability, making it a promising choice for organic-inorganic hybrid catalytic reactions conducted under mild conditions.
Article
Chemistry, Inorganic & Nuclear
Samuel D. Juarez-Escamilla, Sriloy Dey, Bruno Donnadieu, T. Keith Hollis
Summary: In this study, a bidentate Mo complex was synthesized using metalation and transmetalation methodology. The synthesis was optimized to achieve a high yield. The crystal structure of the bidentate complex was determined. Additionally, alternative forms of ligands were discovered in the reaction.
Article
Chemistry, Inorganic & Nuclear
Mohamed H. Abdel-Rhman, Ghada Samir, Mostafa A. Hussien, Nasser M. Hosny
Summary: This study investigated the dissolution performance of hydrazine carbonate solution on zirconium dibutyl phosphate (Zr-DBP), and found that hydrazine carbonate solution could promote the dissolution of Zr-DBP. The effects of dissolution temperature and hydrogen peroxide concentration on the dissolution efficiency were also explored, and the corrosion effect on stainless steel by hydrazine carbonate solution was studied.
Article
Chemistry, Inorganic & Nuclear
Qiaofang Fu, Fangyu Tan, Wu Ying
Summary: This study successfully prepared vermiculite/g-C3N4/TiO2 composites and found that under specific conditions, the composites exhibited excellent degradation effects, with a high degradation rate for methylene blue. Additionally, the composites were able to enhance surface area, reduce carrier loading rate, improve light energy utilization, and enhance durability.
Article
Chemistry, Inorganic & Nuclear
Annabelle G. W. Hodson, Robert T. Mason
Summary: Functionalised polystyrene resins have been found to be efficient catalysts in the synthesis of specific complexes, with the conversion rate controlled by the polymer structure. The addition of amines or amino acids can further yield substituted 13-butadienyl complexes, which have been analyzed by NMR.
Article
Chemistry, Inorganic & Nuclear
C. Kavitha, S. Anbarasan, P. Subramaniam
Summary: The sulfoxidation of PMAAs by the oxo(salen)chromium(V) complex in aqueous acetonitrile medium was studied. The rate of the reaction is influenced by the polarity of the medium and the substituents on PMAA, with electron donating substituents accelerating the reaction and electron withdrawing substituents retarding the reaction.
Article
Chemistry, Inorganic & Nuclear
Qiang-Qiang Liu, Mithun Kumar Ghosh, Shu-Lan Cai, Xiao-Hong Liu, Lu Lu, Mohd. Muddassir, Tanmay Kumar Ghorai, Jun Wang
Summary: Three newly developed coordination polymers (CPs) with semiconducting properties were synthesized using hydrothermal methods. These CPs exhibit superior photocatalytic activity and can degrade organic pollutants effectively.
Article
Chemistry, Inorganic & Nuclear
Mehrnaz Aliahmadi, Ali Nemati Kharat, Jan Janczak
Summary: This study proposes a method for synthesizing allyl alcohol using cost-effective and renewable bio-resource glycerol. By utilizing catalysts, alcohol as a solvent, and a reducing agent, allyl alcohol with an efficiency of 100% was obtained. The structures of the newly synthesized complexes were determined using X-ray single crystallography.
Article
Chemistry, Inorganic & Nuclear
Ji-Yan Gao, Nan Zhang, Dong-Sheng Huang, Xiang-Rong Liu, Zai-Wen Yang, Shun-Sheng Zhao
Summary: Two new transition metal complexes I and II were synthesized and characterized. The complexes exhibited strong thermal stabilities and showed effective binding to CT-DNA and BSA. Complex II exhibited stronger inhibition activity against P. aeruginosa than gentamicin sulfate. These complexes have potential applications in drug research.
Article
Chemistry, Inorganic & Nuclear
Rishabh Ujjval, Hilal Ahmad Khan, Chinnappan Sivasankar, Natesan Thirupathi
Summary: In this study, a rigid 2-aminobenzimidazole type guanidine and its platinum complexes were synthesized through a series of reactions and characterized by various physical and chemical methods. The reaction mechanism was also explained through DFT calculations.
Article
Chemistry, Inorganic & Nuclear
Marcelo Carpes Nunes, Thais Zaboenco, Vinicius Kemper Melara, Gabriel Barros Baptistella, Andre Luiz Barboza Formiga, Andersson Barison, Fabio Souza Nunes
Summary: A new luminescent molecular thermometer has been developed, which uses the spin-crossover equilibrium of a nickelcyclen derivative to measure temperature. The sensor shows high sensitivity and accuracy.
Article
Chemistry, Inorganic & Nuclear
Yuyu Shan, Zhenqin Zhao, Xia Zhang, Zhan Wu, Xiu-Ling Li
Summary: In this study, a new bridging ligand was synthesized through refluxing, and two mononuclear Cu(I) complexes and two trinuclear Cu(I)-Eu(III) complexes were obtained through self-assembly. The Cu(I) antenna chromophores successfully transferred energy to the Eu(III) centers, achieving sensitized Eu(III) luminescence.
Article
Chemistry, Inorganic & Nuclear
Gabriela Sanchez-Lecuona, Mayra C. Vazquez-Nunez, Bruno Donnadieu, Miguel A. Munoz-Hernandez, Virginia Montiel-Palma
Summary: The reaction of RuHCl(PPh3)3 with GaMe3 has been studied and the obtained complexes were analyzed in detail. The results indicate the formation of a Ru-Ga bond, suggesting the generation of an in situ formed ambiphilic phosphinogallyl ligand. This is of significance for understanding the interaction between metal-halogen bonds and metal-small molecule bonds.
Article
Chemistry, Inorganic & Nuclear
Sevil Sener, Nursel Acar, Fatih Dumludag
Summary: The synthesis, characterization, spectroscopic and bonding features of a new Co (II) phthalocyanine compound containing two thiocarbohydrazone groups were explained. The compound showed semiconductor properties and potential as a temperature sensor.
Article
Chemistry, Inorganic & Nuclear
Ledja B. O. Davi, Aryanna S. P. N. Costa, Mariana S. Silva, Adriana S. Ribeiro, Cintya D. A. E. S. Barbosa, Julio C. S. Da Silva, Dimas J. P. Lima, Daniela S. Anunciacao
Summary: In this study, a dansyl derivative sensor called o-PDDS was prepared and used for the detection of Al3+ ions in water. The o-PDDS sensor exhibited high sensitivity and linear response towards Al3+ ions. Experimental and computational studies confirmed a 1:1 stoichiometry ratio between o-PDDS and Al3+ ions. Real sample analysis demonstrated the selectivity and detection performance of the sensor, indicating its potential for field use.