{"title":"A novel nickel(II) complex with N,S donor Schiff base: Structural characterisation, DFT, TD-DFT study and catalytic investigation.","authors":"Manas Chowdhury, Niladri Biswas, Sandeepta Saha, Ennio Zangrando, Nayim Sepay, Chirantan Roy Choudhury","doi":"10.17344/acsi.2023.8136","DOIUrl":"https://doi.org/10.17344/acsi.2023.8136","url":null,"abstract":"<p><p>One new mononuclear nickel(II) thiosemicarbazone complex (1), has been synthesised from the Schiff base ligand derived from p-anisaldehyde and thiosemicarbazide. Complex 1 is characterized by using different spectroscopic techniques and single crystal X-ray structure analysis. Time dependent density functional theory (TD-DFT) was performed to simulate the electronic spectra of the complex 1 with the help of Polarizable Continuum Model (PCM) model. Complex 1 acts as functional models. The catalytic property has been evaluated from Lineweaver-Burk plot using the Michaelis-Menten approach of enzyme catalysis with a kcat value of the order of 708 h-1.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"479-488"},"PeriodicalIF":1.2,"publicationDate":"2023-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Uroš Grošelj, Marija Gršič, Anže Meden, Damijan Knez, Marko Jukič, Jurij Svete, Stanislav Gobec
{"title":"Synthesis and Cholinesterase Inhibitory Activity of Selected Indole-Based Compounds.","authors":"Uroš Grošelj, Marija Gršič, Anže Meden, Damijan Knez, Marko Jukič, Jurij Svete, Stanislav Gobec","doi":"10.17344/acsi.2023.8460","DOIUrl":"https://doi.org/10.17344/acsi.2023.8460","url":null,"abstract":"<p><p>Synthesis and anticholinesterase activity of 18 previously unpublished indole- and tryptophan-derived compounds are disclosed. These sp3-rich compounds containing an indole structural unit exhibit selective submicromolar inhibition of human butyrylcholinesterase (hBChE). The structures of the newly synthesized compounds were confirmed by 1H and 13C NMR, IR spectroscopy, and high-resolution mass spectrometry.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"545-559"},"PeriodicalIF":1.2,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Comparison of deep eutectic solvent-based ultrasound- and heat-assisted extraction of bioactive compounds from Withania somnifera and process optimization using response surface methodology.","authors":"Faizan Sohail, Dildar Ahmed","doi":"10.17344/acsi.2023.8419","DOIUrl":"https://doi.org/10.17344/acsi.2023.8419","url":null,"abstract":"<p><p>Extraction of bioactive compounds from Withania somnifera roots was studied using sodium acetate-glycerol deep eutectic solvent (DES) and two techniques ultrasound-assisted extraction (UAE) and heat-assisted extraction (HAE) under response surface methodology (RSM). For UAE and HAE, total phenolic content (TPC, mg gallic acid equivalents per g dry weight (mg GAE g-1 DW)), total flavonoid content (TFC, mg rutin equivalents g-1 DW (mg RE g-1 DW)), radical scavenging activity (RSA, mg AAE (ascorbic acid equivalents) g-1 DW), and iron chelating activity (ICA, mg EDTAE (ethylenediaminetetraacetate equivalents) g-1 DW%) were 6.51, 6.08, 12.56, and 3.57, respectively, and 3.33, 3.98. 6.57 and 2.48, respectively. For UAE, the optimal conditions were a DES concentration of 50 %, temperature of 60 °C, and time of 20 min, and for HAE, a DES concentration of 60 %, temperature of 60 °C, and time of 75 min. The discovered models were strongly supported by the validation experiments. UAE was more efficient and less time-consuming for extracting phytoconstituents of the W. somnifera than HAE.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"533-544"},"PeriodicalIF":1.2,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Rise of gold nanoparticles as carriers of therapeutic agents.","authors":"Satyanarayan Pattnaik, Chandrashekar Thalluri, Kalpana Swain","doi":"10.17344/acsi.2023.8216","DOIUrl":"https://doi.org/10.17344/acsi.2023.8216","url":null,"abstract":"<p><p>A nanoparticle is the simplest structural component due to its nanometer-sized diameter. Nanoparticles are typically atoms or molecules that generate a radius (or diameter) of less than 100 nm when bonded collectively. The latest developments in nanotechnology provide a wide range of methods for studying and monitoring various medical and biological processes at the nanoscale. Nanoparticles can help diagnose and treat diseases, such as cancer, by carrying drugs directly to cancer cells. They can also be used to detect disease biomarkers in the body, helping to provide early diagnosis. It is likely that the data will have a positive effect on biology and medicine. It is plausible that nanoparticles could be used in theranostic applications and targeted drug delivery. This could significantly improve patient outcomes and reduce the amount of time, effort, and money needed to diagnose and treat diseases. It could also reduce the side effects of treatments, providing more precise and effective treatments. Nanoparticles for biomedical applications include polymeric and metal nanoparticles; liposomes and micelles; dendrimers and quantum dots; etc. Among the nanoparticles, gold nanoparticles have emerged as a promising platform for drug delivery applications. Gold nanoparticles are highly advantageous for drug delivery applications due to their excellent biocompatibility, stability, and tunable physical and chemical properties. The present review provides an in-depth discussion of the various approaches to gold nanoparticle synthesis and drug delivery applications.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"467-478"},"PeriodicalIF":1.2,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hirijete Idrizi, Mile Markoski, Metodija Najdoski, Igor Kuzmanovski
{"title":"X-ray Powder Diffraction and Supervised Self-Ogranizing Maps as Tools for Forensic Classification of Soils.","authors":"Hirijete Idrizi, Mile Markoski, Metodija Najdoski, Igor Kuzmanovski","doi":"10.17344/acsi.2023.8221","DOIUrl":"https://doi.org/10.17344/acsi.2023.8221","url":null,"abstract":"<p><p>Due to its transferability, the soil has been commonly used as evidence in criminal investigations. In this work, 172 soil samples taken from five urban parks from the town of Tetovo (North Macedonia) and from additional four rural locations in its vicinity. The soil samples were examined using X-ray powder diffraction. The collected diffractograms were used for development of classification models based on supervised self-organizing maps. The examination generalization performances of the developed models showed that they were able to correctly classify between 95.6 and 97.8% of the samples from the independent test set. The influence of the weather and the seasonal changes on the composition of the soil was also examined. For this purpose, three years after the initial soil samples were collected, additional 28 samples were analyzed from different location. The best models presented in this work were able to successfully classify 27 of these additional samples.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"488-499"},"PeriodicalIF":1.2,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Syntheses, Characterization, Crystal Structures and Xanthine Oxidase Inhibitory Activity of Hydrazones.","authors":"Xiao-Jun Zhao, Ling-Wei Xue, Qiao-Ru Liu","doi":"10.17344/acsi.2023.8370","DOIUrl":"https://doi.org/10.17344/acsi.2023.8370","url":null,"abstract":"<p><p>Four new fluoro-containing hydrazones were synthesized from 4-fluorobenzaldehyde with chloro- and nitro-substituted benzohydrazides. They are 3-chloro-N'-(4-fluorobenzylidene)benzohydrazide (1), 2-chloro-N'-(4-fluorobenzylidene)benzohydrazide (2), N'-(4-fluorobenzylidene)-4-nitrobenzohydrazide (3), and N'-(4-fluorobenzylidene)-3-nitrobenzohydrazide (4). The compounds have been characterized by IR and 1H NMR spectra, as well as X-ray single crystal determination. Xanthine oxidase (XO) inhibitory activity indicated that the nitro substituted compounds 3 and 4 have effective activity. Docking simulation was performed to insert the compounds into the crystal structure of xanthine oxidase at the active site to investigate the probable binding modes.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"524-532"},"PeriodicalIF":1.2,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Study on the Equilibria of the Complex Formation of Anionic Chelate of Zn(II) with Tridentate Ligand and the Cation of 3-(2-naphtyl)-2,5-diphenyl-2H-tetrazolium chloride","authors":"Kirila Stojnova, Pavel Yanev, Vanya Lekova","doi":"10.17344/acsi.2023.8197","DOIUrl":"https://doi.org/10.17344/acsi.2023.8197","url":null,"abstract":"The equilibria of the complex formation between the anionic chelate of zinc(II) with the tridentate ligand of 4-(2-pyridylazo)-resorcinol (PAR) and the bulky organic tetrazolium cation of 3-(2-naphtyl)-2,5-diphenyl-2Htetrazolium chloride (TV) in the liquid-liquid extraction system Zn(II)‒PAR‒TV‒H2O‒2-methyl-1-propanol was studied by spectrophotometric method. The molar ratio of the reagents was determined by independent methods under the optimum condition for ion-association and for extraction. The validity of Beer’s law was checked and some analytical characteristics were calculated. The constants, describing the association process in aqueous phase and the extraction equilibria, were calculated. Based on this, a reaction scheme, a general formula and a structural formula of the complex were suggested. The zinc(II) cation is six coordinated with the tridentate ligand through the following atoms: the azo nitrogen, the pyridine nitrogen and the oxygen atom from the phenolic group, which is in ortho position relative to the azo group, each of them forming two five-membered chelate rings.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136309109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Karam Ahmed El-Sharkawy, Rafat Milad Mohareb, Sayeed Mukhtar, Humaira Parveen, Mahmoud Ali Abdelaziz
{"title":"Cytotoxic Activities and Morphological Sudies of Thiophene, Thiazole and Pyridazine Derivatives Synthesized from Benzo[d]thiazole Derivatives","authors":"Karam Ahmed El-Sharkawy, Rafat Milad Mohareb, Sayeed Mukhtar, Humaira Parveen, Mahmoud Ali Abdelaziz","doi":"10.17344/acsi.2023.8057","DOIUrl":"https://doi.org/10.17344/acsi.2023.8057","url":null,"abstract":"The benzo[d]thiazole derivatives 4a–c were synthesized and used for the synthesis of thiophene derivatives 6a–f. They form the arylhydrazone derivatives 8a–i which were capable to form pyridazine derivatives 9a–i and 10a–i. The latter compounds reacted with thioglycolic acid to produce the thiazole derivatives 12a–i and 13a–i, respectively. The thiazole derivatives 15a–c were also produced from 4a–c through their reactions with elemental sulfur and phenylisothiocyanate. Further heterocyclization reactions of 15a were carried out to produce thiophene derivatives. Evaluations of the synthesized products were carried out against some selected cancer cell lines and the most active compounds were further evaluated against the seventeen cancer cell lines classified according to the disease. Morphological changes of A549 cell line by the effect of compounds 13c and 13h were studied using microenvironment of the lung tissue where an excellent result was obtained.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"67 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136308112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Spectrophotometric Measurement of Lithium in Human Saliva Using the Chromogenic Reagent Thorin","authors":"Stephen R. Levitt","doi":"10.17344/acsi.2023.8121","DOIUrl":"https://doi.org/10.17344/acsi.2023.8121","url":null,"abstract":"The feasibility of using the chromogenic dye Thorin to spectrophotometrically measure lithium concentration in human saliva was explored. Absorbance wavelength maximum of the Li-Thorin complex was found to be 480 nm. Absorbance at 480 nm was obtained for saliva calibration standards containing 0.00–5.29 mEq/L of lithium. A least-squares fit produced a regression equation y = 0.128x + 1.449, R = 0.997. This was used to predict lithium concentrations in both artificially prepared lithium/saliva test solutions and in hospitalized patients treated with lithium. Results agree well with atomic absorption spectroscopy. Using a reagent blank with an equivalent amount of saliva as the test samples eliminated protein and electrolyte absorbance interference. This study supports the continued exploration of this method as a non-invasive point-of-care testing approach for monitoring saliva lithium in bipolar disorder.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"69 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136308284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and Determination of Cerium(IV)-Reducing Antioxidant Capacity (CERAC) Assay of Some New Anthraquinones","authors":"Necla Bektas, Nihal Onul","doi":"10.17344/acsi.2023.8155","DOIUrl":"https://doi.org/10.17344/acsi.2023.8155","url":null,"abstract":"Novel anthraquinone-based cyclic antioxidants containing amino, thio and oxo groups were synthesized and their antioxidant capacity was determined by using the cerium(IV)-reducing antioxidant capacity (CERAC) assay. 1H, 13C NMR, FTIR-spectroscopy and ESI (Electrospray Ionization) mass spectrometry were used for the characterization of anthraquinone derivatives exhibiting CERAC antioxidant capacity. This study is of great importance, because the antioxidant capacity of anthraquinone compounds was analyzed for the first time by the CERAC method and CERAC-Trolox equivalent antioxidant capacity (TEAC) values were higher than that for Trolox. It should also be noted that, since all synthesized anthraquinone derivatives have the potential to find applications in terms of their biological properties due to their sulfur and nitrogen content, they will make an important contribution to the literature.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136308279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}