Mediterranean Journal of Chemistry最新文献

{"title":"Solid-Phase Separation and Green Removal of Amprolium Hydrochloride Veterinary Drug from Aqueous Media Using Dolomiaea Costus Roots as New Biosorbent","authors":"Amr Mohamed","doi":"10.13171/mjc02310131759amr","DOIUrl":"https://doi.org/10.13171/mjc02310131759amr","url":null,"abstract":"<p>The roots of the <em>Dolomiaea costus</em> (SCO) plant were used as a new, low-cost, eco-friendly, and efficient biosorbent for the removal of Amprolium hydrochloride (AMP) antibacterial veterinary drug residues from aqueous media. The effect of different parameters, such as the initial concentration of AMP, pH, contact time, adsorbent dosage, and temperature, was investigated. The results showed that the best removal of the AMP drug by SCO was reached at a pH of 3.6 at a contact time of 80 min by a sorbent dosage of 0.04 g at a temperature of 45°C. Adsorption isotherm studies indicated that the AMP removal correlates more with the Freundlich isotherm with <em>R²</em>= 0.991. The maximum adsorption capacity has reached 83% based on the adsorption isotherm studies. The kinetics studies showed that adsorption follows a pseudo-second-order model with <em>R²</em>= 0.999. The thermodynamic studies showed that the adsorption process of AMP on SCO is spontaneous in nature and exothermic, with an increase in randomness during the adsorption.</p>","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135857331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Crystal Structure of Novel [(u-OCH6) (u-Cl) bis-[(bipy) (Cl)Cu(II)]]Complex","authors":"Fatima A. Ghalbuoun, Ramadan G. Abuhmaiera, Fathia A. Treish, Wedad A. Alakrash, Ramadan Mohamed Elmehdawi","doi":"10.13171/hmjc02309251754elmehdawi","DOIUrl":"https://doi.org/10.13171/hmjc02309251754elmehdawi","url":null,"abstract":"<p>A novel title complex [(µ-chlorido)(µ-methoxido- <em>O</em>)bis-[(2,2´-bipy-k²N,N´)(chlorido) Copper(II)]] crystallizes in the monoclinic space group C2/c with unit cell parameters, a = 14.4775(2)Å, b =11.118(2)Å, c = 13.1617(2)Å, α= 90º, β=92º and γ= 90º,have two very similar distorted square-pyramidal [Cu₂(2,2´-bpy)₂Cl₃(OCH₆)] (1) chromophores adopting 4+1 geometrical arrangement. The u-OCH₆ and u-Cl bridges occupy a crystallographic inversion center. The novelty of this complex stems from the occupancy site (s.o.f = 0.5) of the unusual six H-atoms of the methoxy bridging group. The bridging Cl-atom occupied the axial site of the distorted square-pyramidal, which is significantly longer than the rest of the other four-basal sites. Due to axial site occupation by Cl-bridging, the two bpy-ligands lie almost perpendicular to each other. The packing structure of the title complex reveals that this structure contains inter-and intra-molecular H-bonds and ꙥ-ꙥ- intermolecular interactions.</p><br /><strong></strong>","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"16 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135924578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In search of cytotoxic abietyl amides","authors":"J. Heisig, Niels V. Heise, Sophie Hoenke, A. Al-Harrasi, R. Csuk","doi":"10.13171/mjc02307191709csuk","DOIUrl":"https://doi.org/10.13171/mjc02307191709csuk","url":null,"abstract":"<p><span lang=\"EN-US\">Based on prior research findings with pentacyclic triterpenoids, it was hypothesized that (un)-substituted benzylamides would exhibit enhanced cytotoxic activity compared to parent abietic acid. Conversely, none of these compounds was cytotoxic, but (homo)-piperazinyl amides demonstrated significant cytotoxic activity across multiple cell lines, even at concentrations as low single-digit micromolar levels. Additional staining experiments revealed that the most potent compound (with an EC₅₀ value of 2.8 </span><span lang=\"EN-US\">m</span><span lang=\"EN-US\">M for HT29 colon carcinoma cells) primarily induced apoptosis rather than necrosis. </span> </p>","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"80 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90677595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure and DFT Computations of a Solid-State Solution of Mixed Mononuclear Cu(II)/Co(II) Complex","authors":"Ramadan Gamodi Abuhmaiera, Fathia Ali Treish, Mohamed Nasir EL-Kaheli, Yazeed Musa Benshaban, Ramadan Mohamed Elmehdawi, Salem El-tuhami Ashoor","doi":"10.13171/mjc02305291700elmehdawi-ashoor","DOIUrl":"https://doi.org/10.13171/mjc02305291700elmehdawi-ashoor","url":null,"abstract":"<p>A<strong> </strong>novel mixed molecular Cu (II) and Co (II) complexes [Cu L₂]_0.82 and [CoL₂]_0.18 (1) where HL = (4-salicylaldaimine antipyrine) derived from 4-aminoantipyrine and 2-hydroxybenzaldehyde, was isolated as a green solid and characterized by Fourier Transform Infrared Spectroscopy (FTIR), Ultra-Violet Visible spectroscopy (UV-Vis) and Single-crystal x-ray diffraction. Compound 1 is a solid-state solution that contains a statistical mixture of two different molecular complexes: 82% of a 17-electron Cu (II) complex and 18% of a 15-electron Co (II) complex. By looking at the structure, it seems that the two metal ions occupy the same metal site, which is not true; at least a small distance between them exists, verified using the Density functional theory (DFT).<strong> </strong>A divalent metal cation binds four coordination sites in each molecular complex from two corresponding bidentate Schiff base ligands. Each metal atom is coordinated with two nitrogen and two oxygen atoms of the Schiff base ligand in a geometry much closer to pseudo-tetrahedral than planar. DFT calculations were used to validate the trends observed in bond lengths and angles in this structure. By using the DFT methods, it is seen that there are no significant differences in the experimental values obtained by single-crystal X-ray diffraction. It should be noted that the experimental results belong to the solid phase, while the theoretical calculations belong to the gas phase.</p>","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135832599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of the activation method on the activity of the nickel catalyst","authors":"Elshan T. Zeynalov","doi":"10.13171/mjc02305021696zeynalov","DOIUrl":"https://doi.org/10.13171/mjc02305021696zeynalov","url":null,"abstract":"The results of a comparative analysis of the influence of the activation method on the catalytic properties of a nickel diatomaceous earth catalyst during the conversion of isopropyl alcohol to acetone are presented. Studies of the activity of the catalyst in the reaction of gas-phase dehydrogenation of isopropyl alcohol were carried out on a flow-type laboratory installation at a temperature of 150-350ºC. The mechanical activation of the nickel diatomaceous earth catalyst was carried out in a planetary mill. Traditional activation included pre-heat treatment of nickel diatomaceous earth catalyst in an atmosphere of O2 and H2 at 250°C; IR radiation was carried out using an incandescent lamp. It is shown that the nature of the activator determines the features of the formed surface nickel complexes. The activity of samples of the nickel diatomaceous earth catalyst subjected to activation by thermal reduction and thermal oxidation, as well as IR irradiation, testified to the low efficiency of these methods. A comparison of the activity of industrial nickel diatomaceous earth catalyst samples subjected to different activation methods showed that processing of samples by thermal reduction and thermal oxidation slightly increases the yield of acetone. In contrast, the original catalyst's IR irradiation and mechanical activation decreased its activity. Thus, thermal reduction and oxidation methods are promising for further research to increase the industrial nickel diatomaceous earth catalyst activity in dehydrogenating isopropyl alcohol into acetone. ","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86424473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A study of mononuclear 3d transition metal bis-Schiff base complexes: Synthesis, characterization, and evaluation of their antibacterial activity","authors":"Mithun Kori, K. Kumar, Karuna Chourasia, A. Roy, R. Yadav, K. K. Raj","doi":"10.13171/mjc02304231686kori","DOIUrl":"https://doi.org/10.13171/mjc02304231686kori","url":null,"abstract":"In this study, we have outlined a conventional and user-friendly procedure for the production of (E)-1-(((5-ethyl-1,3,4-thiadiazol-2-yl)imino)methyl)naphthalen-2-ol (HL-1) and (E)-1-((thiazol-2-ylimino)methyl)-naphthalen-2-ol (HL-2) by the reaction of heterocyclic amine, aldehyde in the presence of ethanol as a solvent and acid as the catalyst. The synthesis of new HL-1 and HL-2 may be accomplished with ease using this approach, which is also very efficient. In the presence of dipositive Co, Ni, and Cu metal complexation, HL-1 and HL-2 were carried out in the presence of metal: ligand (1:2). HL-1, HL-2, and metal complexes are characterized with the assistance of UV/visible, FT-IR, Mass, and 1H NMR spectroscopy respectively. Furthermore, the ligands mentioned above (HL-1 and HL-2) and their metal complexes were tested for the antimicrobial study and showed an excellent inhibitory zone. These investigations indicated that HL1-Co (II), HL-1Cu (II), complexes and ligands HL-2Co (II), and HL-1Ni(II) had positive effects on Escherichia coli causing severe stomach cramps (Gram-negative- MTCC 1610) and positive impact on Staphylococcus aureus (Gram-positive MTCC-96) due to skin infections.","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83373080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural insights into styrylquinolines analogs as tubulin polymerization inhibitors: In silico Approach","authors":"Prerna Chourasia, Vivek Asati, Shivangi Agarwal, Mitali Mishra, Varsha Kashaw, R. Das, S. Kashaw","doi":"10.13171/mjc02304201689kashaw","DOIUrl":"https://doi.org/10.13171/mjc02304201689kashaw","url":null,"abstract":": Cancer is one of the fastest-growing epidemics that affect millions yearly. A handful of anticancer drugs are available on the market, but they produce undesirable side effects. Currently, tubulin inhibitors targeting the colchicine binding site are considered an important target due to their structural simplicity and favorable pharmacokinetics with fewer side effects. Different researchers conducted many studies to discover a novel tubulin inhibitor targeting the colchicine binding site with high safety and potency. In the present study, we performed computational analysis of 48 styrylquinolines analogs obtained from literature using different drug designing tools. The pharmacophore mapping study was conducted to identify the important pharmacophoric features essential for biological activity. Atom-based 3D-QSAR (3-dimensional quantitative structure-activity relationship) analysis was carried out to know the contribution of different atoms to model development. The generated model showed a statistically significant coefficient of determinations for the training and test sets. The best QSAR model was selected based on R2 (0.8624) and Q2 (0.6707) values. Contour plot analysis of the developed model unveiled the chemical features necessary for tubulin inhibition. A docking study was performed on potent styrylquinoline analog 9VII-f(46), which shows the highest SP docking scores (-5.494). ADME (Absorption, distribution, metabolism, and excretion) analysis provides valuable information about the drugability of newly designed compounds.","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82499757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-analytical Approach (FTIR, XRF, XRD, GC-MS) Characterization of Source Rocks from the Anza Basin, Kenya","authors":"Lorna Chemutai Chesir","doi":"10.13171/mjc023040171687chesir","DOIUrl":"https://doi.org/10.13171/mjc023040171687chesir","url":null,"abstract":"Potential source rocks from three wells (Chalbi-3, Sirius-1, and Ndovu-1) in the Anza Basin of northeastern Kenya were analyzed using elemental carbon-hydrogen-nitrogen analysis, and mineralogical characterization by X-ray diffraction (XRD), X-ray fluorescence (XRF), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM-EDX).). A Gas Chromatography-Mass Spectrometry (GC-MS) analysis of the saturated aliphatic biomarkers was carried out to illuminate the organic matter source. The analytical results revealed that the source rocks have moderate to high total organic carbon (%TOC) content, suggesting conditions in the Basin favor organic production and preservation. The Hydrogen Indices (HI: 0.19–0.60 atomic ratios) typify a predominance of mixed type II/III (oil/gas-prone) with more type III (gas-prone) and less II (oil-prone) kerogens. The FTIR, XRF, and XRD results reveal that the studied source rock samples comprised mainly of quartz, followed by silicate-clay minerals and calcite minerals. The solvent-extractable organic matter investigation revealed biomarker distributions of n-alkanes and isoprenoids (pristane/ phytane ratios), suggesting that source rocks were derived from algae and bacteria deposited weakly anoxic and low toxic environmental conditions, with minimal contribution from terrestrial organic matter sources. Consequently, all three wells have hydrocarbon generation potential, particularly Ndovu-1, which displays good organic matter content to produce oil and gas. The hydrocarbon potential is excellent and capable of making expulsions of oil and/or gas from the wells at sufficient depths.","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"33 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91441310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural identification of novel pyrimidine derivatives as epidermal growth factor receptor inhibitors using 3D QSAR, molecular docking, and MMGBSA analysis: a rational approach in anticancer drug design","authors":"Pradipta Jana, Shivangi Agarwal, Varsha Kashaw, R. Das, A. Dixit, S. Kashaw","doi":"10.13171/mjc02304141691kashaw","DOIUrl":"https://doi.org/10.13171/mjc02304141691kashaw","url":null,"abstract":"Non-small cell lung cancer (NSCLC) has evolved into the deadliest in the present scenario. The progression of NSCLC is mainly due to the dysregulation of the tyrosine kinase family's epidermal growth factor receptor (EGFR). Thus, EGFR has been widely studied as a major target in the treatment of NSCLC, but the lack of selectivity and drug resistance limit the use of existing therapeutic agents. Considering the urgent necessity for the advanced development of EGFR inhibitors, we have implemented a three-dimensional structure-activity relationship (3D QSAR), molecular docking, and MMGBSA studies on a series of pyrimidine derivatives. In the 3D QSAR, the comparative molecular field analysis model (CoMFA) was obtained with a correlation coefficient (r2) = 0.698, cross-validated correlation coefficient (q2) = 0.541, and predictive r2 (r2pred) = 0.509. The comparative molecular similarity indices analysis (CoMSIA) model also displayed similar results with r2 = 0.72, q2 = 0.586, and r2pred= 0.495. The statistical parameters fulfill the acceptability criteria of the models. Docking studies revealed the binding interactions of the pyrimidine derivatives with double mutant EGFRL858R/T790M. Docking scores of the top two selected compounds 29 and 34 were 92.99 and 92.13, respectively. Analyzing 3D QSAR contour plots and docking results reviewed some important structural attributes of EGFR L858R/T790M selective inhibitors, which directed the designing of some new molecules. The designed compounds showed good predictive activity and exhibited higher binding interactions with EGFRL858R/T790M than the reference ligand gefitinib. Moreover, to evaluate the binding of selected top hits from docking and designed compounds, MMGBSA (Molecular Mechanics-Generalized Born Surface Area) analysis was performed, which revealed that the designed compound (N7) showed a good binding affinity with EGFRL858R/T790M (dG = -68.59 kcal/mol) as compared to other compounds. Further, in silico ADME predictions revealed the drug-likeness of the designed compounds. Thus, this work will guide researchers in future developments of pyrimidine derivatives as EGFR inhibitors.","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"237 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86977666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical behavior of Metronidazole (MNZ) at glassy carbon electrode at different concentrations","authors":"R. Das, Aayushi Chanderiya, A. Roy, S. Kashaw","doi":"10.13171/mjc02304071692das","DOIUrl":"https://doi.org/10.13171/mjc02304071692das","url":null,"abstract":"A robust and straightforward electrochemical methodology based on electrochemical detection of Metronidazole (MNZ) at glassy carbon electrodes was suggested to determine. MNZ formed well-defined reversible cyclic voltammograms on the glassy carbon electrode in the Britton Robinson buffer solution. Various parameters' effects on voltammetric results were also evaluated. For MNZ determination, a differential pulse voltammetric model was introduced and developed. Excellent recovery results for spiked MNZ in pharmaceutical tablet samples were obtained, with recovery rates ranging from 97.44 to 97.51 percent.","PeriodicalId":18513,"journal":{"name":"Mediterranean Journal of Chemistry","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86625314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}