Men with diabetes have a higher risk of prostate cancer and people with prostate cancer are prone to stomach metastases. Therefore, researchers are continuing in order to find new approaches in the treatment of individuals with both diseases at the same time. The protective effect of metformin (which is used in the treatment of diabetes) on cancer continues to be supported by studies. The present study aimed that the protective effect of metformin in the stomach tissue of diabetic and/or prostate cancer rats was investigated through biochemical parameters. In the study, it was determined that the biochemical parameters studied showed a protective effect on stomach tissues with the administration of metformin to cancer and diabetic+cancer groups, and as a result of the principal component analysis, it was determined that the biochemical parameters studied in the stomach tissue showed a correlation.
{"title":"Glycoprotein Levels and Oxidative Stomach Damage in Diabetes and Prostate Cancer Model: Protective Effect of Metformin.","authors":"Onur Ertik, Pinar Koroglu Aydin, Omur Karabulut Bulan, Refiye Yanardag","doi":"10.17344/acsi.2023.8198","DOIUrl":"https://doi.org/10.17344/acsi.2023.8198","url":null,"abstract":"<p><p>Men with diabetes have a higher risk of prostate cancer and people with prostate cancer are prone to stomach metastases. Therefore, researchers are continuing in order to find new approaches in the treatment of individuals with both diseases at the same time. The protective effect of metformin (which is used in the treatment of diabetes) on cancer continues to be supported by studies. The present study aimed that the protective effect of metformin in the stomach tissue of diabetic and/or prostate cancer rats was investigated through biochemical parameters. In the study, it was determined that the biochemical parameters studied showed a protective effect on stomach tissues with the administration of metformin to cancer and diabetic+cancer groups, and as a result of the principal component analysis, it was determined that the biochemical parameters studied in the stomach tissue showed a correlation.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"574-587"},"PeriodicalIF":1.2,"publicationDate":"2023-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827651","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}
A dinuclear oxidovanadium(V) complex [V2O2L2(OMe)2] (1) was synthesized from N'-(2-hydroxy-5-methylbenzylidene)-4-methylbenzohydrazide (H2L) and VO(acac)2 in MeOH. Reaction of complex 1 with 3-hydroxy-2-methyl-4-pyrone (HL') afforded a mononuclear oxidovanadium(V) complex [VOLL'] (2). The hydrazone and both complexes were characterized by IR, UV and 1H NMR spectroscopy, as well as X-ray single crystal determination. X-ray powder diffraction of the complexes was performed. The V atoms in the two complexes are in octahedral coordination. The molecules of complex 2 are linked through non-classical hydrogen bonds of type C-H∙∙∙O to form one-dimensional chains running along the a axis. The biological assay indicates that the complexes have good antimicrobial activities on the bacteria strains P. aeroginosa, S. aureus, B. subtilis and E. coli.
一种双核氧化钒(V)络合物[V2O2L2(OMe)2](1)是由 N'-(2-羟基-5-甲基亚苄基)-4-甲基苯甲酰肼(H2L)和 VO(acac)2 在 MeOH 中合成的。络合物 1 与 3-羟基-2-甲基-4-吡喃酮(HL')反应,得到单核氧化钒(V)络合物 [VOLL'](2)。通过红外光谱、紫外光谱和 1H NMR 光谱以及 X 射线单晶测定,对腙和两种络合物进行了表征。对复合物进行了 X 射线粉末衍射。这两种络合物中的 V 原子呈八面体配位。络合物 2 的分子通过 C-H∙∙∙O 类型的非经典氢键连接,形成沿 a 轴运行的一维链。生物检测表明,复合物对铜绿假单胞菌、金黄色葡萄球菌、枯草杆菌和大肠杆菌具有良好的抗菌活性。
{"title":"Synthesis, Characterization and X-Ray Crystal Structures of Oxidovanadium(V) Complexes Derived from N'-(2-Hydroxy-5-methylbenzylidene)-4-methylbenzohydrazide with Antibacterial Activity.","authors":"Xue-Rong Tan, Wei Li, Meng-Meng Duan, Zhonglu You","doi":"10.17344/acsi.2023.8347","DOIUrl":"https://doi.org/10.17344/acsi.2023.8347","url":null,"abstract":"<p><p>A dinuclear oxidovanadium(V) complex [V2O2L2(OMe)2] (1) was synthesized from N'-(2-hydroxy-5-methylbenzylidene)-4-methylbenzohydrazide (H2L) and VO(acac)2 in MeOH. Reaction of complex 1 with 3-hydroxy-2-methyl-4-pyrone (HL') afforded a mononuclear oxidovanadium(V) complex [VOLL'] (2). The hydrazone and both complexes were characterized by IR, UV and 1H NMR spectroscopy, as well as X-ray single crystal determination. X-ray powder diffraction of the complexes was performed. The V atoms in the two complexes are in octahedral coordination. The molecules of complex 2 are linked through non-classical hydrogen bonds of type C-H∙∙∙O to form one-dimensional chains running along the a axis. The biological assay indicates that the complexes have good antimicrobial activities on the bacteria strains P. aeroginosa, S. aureus, B. subtilis and E. coli.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"509-515"},"PeriodicalIF":1.2,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827570","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}
Synthesizing hybrid molecules is one the best manner to achieve novel promising agents. Consequently, series of new thiazoles having coumarin nucleus were synthesized from 3-acetylcoumarin thiosemicarbazones. Cyclization of thiosemicarbazone derivatives with ethyl 2-chloroacetate, 1-chloropropan-2-one and 2-bromo-1-phenylethanone afforded the corresponding 4-thiazolidinones, 4-methylthiazoles and 4-phenylthiazoles, respectively. The expected antimicrobial propriety for the synthesized thiosemicarbazone and thiazole derivatives were investigated. The thiosemicarbazones and thiazolidin-4-ones showed moderate activities against G +ve and G -ve bacteria.
合成杂化分子是获得新型药物的最佳途径之一。因此,我们从 3-乙酰香豆素硫代氨基脲中合成了一系列具有香豆素核的新噻唑。硫代氨基羰基衍生物与 2-氯乙酸乙酯、1-氯丙-2-酮和 2-溴-1-苯乙酮环化后,分别得到了相应的 4-噻唑烷酮、4-甲基噻唑和 4-苯基噻唑。研究人员对合成的硫代氨基羰基和噻唑衍生物的预期抗菌性进行了调查。硫代氨基羰基和噻唑烷-4-酮对 G +ve 和 G -ve 细菌表现出中等程度的活性。
{"title":"Synthesis of New of 4-Thiazolidinone and Thiazole Derivatives Containing Coumarin Moiety with Antimicrobial Activity.","authors":"Reem Al-Harbi, Marwa El-Sharief, Samir Abbas","doi":"10.17344/acsi.2023.8281","DOIUrl":"https://doi.org/10.17344/acsi.2023.8281","url":null,"abstract":"<p><p>Synthesizing hybrid molecules is one the best manner to achieve novel promising agents. Consequently, series of new thiazoles having coumarin nucleus were synthesized from 3-acetylcoumarin thiosemicarbazones. Cyclization of thiosemicarbazone derivatives with ethyl 2-chloroacetate, 1-chloropropan-2-one and 2-bromo-1-phenylethanone afforded the corresponding 4-thiazolidinones, 4-methylthiazoles and 4-phenylthiazoles, respectively. The expected antimicrobial propriety for the synthesized thiosemicarbazone and thiazole derivatives were investigated. The thiosemicarbazones and thiazolidin-4-ones showed moderate activities against G +ve and G -ve bacteria.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"500-508"},"PeriodicalIF":1.2,"publicationDate":"2023-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827568","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}
A mononuclear copper(II) complex [CuLa] (1), and three mononuclear nickel(II) complexes [NiLa] (2), [NiLa]·CH3OH (2·CH3OH) and [NiLb] (3), where La and Lb are the dianionic form of N,N'-bis(4-bromosalicylidene)-1,2-cyclohexanediamine (H2La) and N,N'-bis(4-fluorosalicylidene)-1,2-cyclohexanediamine (H2Lb), respectively, were prepared and structurally characterized by spectroscopy method and elemental analyses. The detailed structures were determined by X-ray single crystal diffraction. All the copper and nickel complexes are mononuclear compounds. The metal ions in the complexes are in square planar coordination, with the two phenolate oxygens and two imine nitrogens of the Schiff base ligands. The biological effect of the four complexes were assayed on the bacteria strains Staphylococcus aureus, Escherichia coli and Candida albicans.
一种单核铜(II)络合物[CuLa](1)和三种单核镍(II)络合物[NiLa](2)、[NiLa]-CH3OH (2-CH3OH)和[NiLb](3),其中 La 和 Lb 是 N,N'-双(4-溴代水杨醛基)-1、制备了 N,N'-双(4-溴代水杨醛基)-1,2-环己二胺(H2La)和 N,N'-双(4-氟代水杨醛基)-1,2-环己二胺(H2Lb)。详细结构由 X 射线单晶衍射确定。所有铜和镍络合物都是单核化合物。配合物中的金属离子与希夫碱配体的两个苯酚氧原子和两个亚胺硝基呈正方形配位。四种络合物对金黄色葡萄球菌、大肠杆菌和白色念珠菌菌株的生物效应进行了检测。
{"title":"Copper(II) and Nickel(II) Complexes Derived from Isostructural Bromo- and Fluoro-Containing Bis-Schiff Bases: Syntheses, Crystal Structures and Antimicrobial Activity.","authors":"Ke-Sheng Cao, Ling-Wei Xue, Qiao-Ru Liu","doi":"10.17344/acsi.2023.8359","DOIUrl":"https://doi.org/10.17344/acsi.2023.8359","url":null,"abstract":"<p><p>A mononuclear copper(II) complex [CuLa] (1), and three mononuclear nickel(II) complexes [NiLa] (2), [NiLa]·CH3OH (2·CH3OH) and [NiLb] (3), where La and Lb are the dianionic form of N,N'-bis(4-bromosalicylidene)-1,2-cyclohexanediamine (H2La) and N,N'-bis(4-fluorosalicylidene)-1,2-cyclohexanediamine (H2Lb), respectively, were prepared and structurally characterized by spectroscopy method and elemental analyses. The detailed structures were determined by X-ray single crystal diffraction. All the copper and nickel complexes are mononuclear compounds. The metal ions in the complexes are in square planar coordination, with the two phenolate oxygens and two imine nitrogens of the Schiff base ligands. The biological effect of the four complexes were assayed on the bacteria strains Staphylococcus aureus, Escherichia coli and Candida albicans.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"70 4","pages":"516-523"},"PeriodicalIF":1.2,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138827648","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}
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.
{"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
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.
{"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}
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.
采用醋酸钠-甘油深共晶溶剂(DES)以及响应面方法(RSM)下的超声辅助萃取(UAE)和热辅助萃取(HAE)两种技术,研究了从薇甘菊根中萃取生物活性化合物的方法。在超声辅助萃取和热辅助萃取中,总酚含量(TPC,毫克没食子酸当量/克干重(mg GAE g-1 DW))、总黄酮含量(TFC,毫克芦丁当量/克干重(mg RE g-1 DW))、自由基清除活性(RSA,毫克抗坏血酸当量/克干重(mg AAE g-1 DW))和铁螯合活性(ICA,毫克乙二胺四乙酸当量/克干重(mg EDTAE g-1 DW%))分别为 6.51、6.08、12.56 和 3.57,以及 3.33、3.98、6.57 和 2.48。6.57 和 2.48。对于 UAE,最佳条件是 DES 浓度为 50%、温度为 60 ℃、时间为 20 分钟;对于 HAE,最佳条件是 DES 浓度为 60%、温度为 60 ℃、时间为 75 分钟。所发现的模型得到了验证实验的有力支持。与 HAE 相比,UAE 提取植物成分的效率更高,耗时更短。
{"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}
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.
{"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
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.
{"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}
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.
{"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}