Reaction Gibbs free energies for electron abstraction from phenol and its 74 derivatives were calculated using the composite ab-initio approach (G4) in combination with the implicit solvation model. Resulting values were correlated with 38 oxidation potentials obtained from cyclic voltammetry measurements. Substitution effect and the role of substituents in ortho-, meta-, and para-position were also quantified by Hammett constants. The evaluated linear dependences can be used to reliably estimate electrochemical potentials of substituted phenols solvated in water.
{"title":"Substitution effect of phenol derivatives on electrochemical oxidation potentials: Correlation of theoretical reaction Gibbs free energies","authors":"Andrea Kováčová","doi":"10.2478/acs-2024-0002","DOIUrl":"https://doi.org/10.2478/acs-2024-0002","url":null,"abstract":"\u0000 Reaction Gibbs free energies for electron abstraction from phenol and its 74 derivatives were calculated using the composite ab-initio approach (G4) in combination with the implicit solvation model. Resulting values were correlated with 38 oxidation potentials obtained from cyclic voltammetry measurements. Substitution effect and the role of substituents in ortho-, meta-, and para-position were also quantified by Hammett constants. The evaluated linear dependences can be used to reliably estimate electrochemical potentials of substituted phenols solvated in water.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140524528","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}
Atomic partial charges cannot be physically measured but they play a significant role in many chemical theories and theoretical models. Therefore, they are, evaluated from experimentally acquired properties or calculated by quantum chemistry computational methods. This study is focused on determining chemical accuracy of various theoretical methods of computing atomic partial charges based on quantum chemistry. Values of gas-phase atomic partial charges were acquired by Mulliken (MUL) population analysis, natural bond analysis (NBO), Merz-Singh-Kollman (MSK) scheme, and atomic polar tensor (APT) charges computed considering Density Functional Theory and ab initio Møller-Plesset up to the second order levels. Correlations between the calculated values were determined by principal component analysis (PCA) and further confirmed by linear regression. The best agreement between experimentally evaluated atomic partial charges and theoretical values was obtained with the MSK scheme.
原子偏电荷无法进行物理测量，但它们在许多化学理论和理论模型中发挥着重要作用。因此，原子偏电荷可以通过实验获得的性质进行评估，也可以通过量子化学计算方法进行计算。本研究的重点是确定基于量子化学计算原子偏电荷的各种理论方法的化学准确性。气相原子偏电荷值是通过 Mulliken（MUL）种群分析、自然键分析（NBO）、Merz-Singh-Kollman（MSK）方案以及根据密度泛函理论和 ab initio Møller-Plesset 二阶水平计算的原子极性张量（APT）电荷获得的。计算值之间的相关性通过主成分分析（PCA）确定，并通过线性回归进一步确认。实验评估的原子偏电荷和理论值之间的最佳一致性是通过 MSK 方案获得的。
{"title":"Atomic partial charge model in chemistry: chemical accuracy of theoretical approaches for diatomic molecules","authors":"Matej Uhliar","doi":"10.2478/acs-2024-0001","DOIUrl":"https://doi.org/10.2478/acs-2024-0001","url":null,"abstract":"\u0000 Atomic partial charges cannot be physically measured but they play a significant role in many chemical theories and theoretical models. Therefore, they are, evaluated from experimentally acquired properties or calculated by quantum chemistry computational methods. This study is focused on determining chemical accuracy of various theoretical methods of computing atomic partial charges based on quantum chemistry. Values of gas-phase atomic partial charges were acquired by Mulliken (MUL) population analysis, natural bond analysis (NBO), Merz-Singh-Kollman (MSK) scheme, and atomic polar tensor (APT) charges computed considering Density Functional Theory and ab initio Møller-Plesset up to the second order levels. Correlations between the calculated values were determined by principal component analysis (PCA) and further confirmed by linear regression. The best agreement between experimentally evaluated atomic partial charges and theoretical values was obtained with the MSK scheme.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139537720","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}
Agáta Hudecová, M. Hricová, M. Petkova, R. Plavec, Z. Tomčíková, A. Ujhelyiová
Abstract This article is focused on the preparation of colour masterbatches from renewable sources based on polylactic acid, which were modified with inorganic pigments. Titanium dioxide, carbon black, and iron oxides were used as inorganic pigments. Due to the composition of the prepared colour PLA masterbatches, the influence of the inorganic pigment on the rheological and thermal properties was monitored. Rheological properties were determined using a capillary viscosimeter and a rotary rheoviscosimeter with a geometry plate/plate. The colour PLA masterbatches prepared in this way were subsequently used to dye polylactic acid fibres in the mass. The prepared fibres were drawn to the maximum drawn ratio λmax. In case of fibres, the influence of composition and drawn ratio on thermal and mechanical properties was monitored.
{"title":"Colour masterbatches and their use in polylactic acid fibres dyeing","authors":"Agáta Hudecová, M. Hricová, M. Petkova, R. Plavec, Z. Tomčíková, A. Ujhelyiová","doi":"10.2478/acs-2023-0006","DOIUrl":"https://doi.org/10.2478/acs-2023-0006","url":null,"abstract":"Abstract This article is focused on the preparation of colour masterbatches from renewable sources based on polylactic acid, which were modified with inorganic pigments. Titanium dioxide, carbon black, and iron oxides were used as inorganic pigments. Due to the composition of the prepared colour PLA masterbatches, the influence of the inorganic pigment on the rheological and thermal properties was monitored. Rheological properties were determined using a capillary viscosimeter and a rotary rheoviscosimeter with a geometry plate/plate. The colour PLA masterbatches prepared in this way were subsequently used to dye polylactic acid fibres in the mass. The prepared fibres were drawn to the maximum drawn ratio λmax. In case of fibres, the influence of composition and drawn ratio on thermal and mechanical properties was monitored.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42406172","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}
Alexandra Šagátová, Barbora Brachňaková, Ivan Šalitroš
Abstract The review presents several families of spin crossover (SCO) active Fe(II) coordination compounds with photoactive N-donor heterocyclic ligands, in which the photoinduced structural changes can activate reversible change of spin state and thus control magnetic properties under isothermal conditions. Detailed description of structural, spectral, and magnetic behavior for selected examples of photoisomerizable coordination compounds are provided. From the application point of view, light is an excellent tool to control SCO properties. The first and best known approach called Light Induced Excited Spin State Trapping (LIESST) has a significant technological limitation due to low temperatures (< 120 K) required for the trapping and existence of photoexcited metastable states. The second and more elegant approach known as Ligand-Driven Light-Induced Spin Crossover (LD-LISC) seems to be a very suitable strategy utilizing light-induced structural changes to control the spin. Isomerization of photoswitchable groups, such as azobenzenes or stilbenes, can cause reversible transformation between two isomeric forms after exposition to selective wavelengths at ambient temperature. A very recent third approach, the Guest-Driven Light-Induced Spin Crossover (GD-LISC) effect employing the photoisomerizable guest molecules to control the spin state has also been introduced.
{"title":"Thermal- and light-induced SCO effect in Fe(II) complexes and coordination polymers","authors":"Alexandra Šagátová, Barbora Brachňaková, Ivan Šalitroš","doi":"10.2478/acs-2023-0003","DOIUrl":"https://doi.org/10.2478/acs-2023-0003","url":null,"abstract":"Abstract The review presents several families of spin crossover (SCO) active Fe(II) coordination compounds with photoactive N-donor heterocyclic ligands, in which the photoinduced structural changes can activate reversible change of spin state and thus control magnetic properties under isothermal conditions. Detailed description of structural, spectral, and magnetic behavior for selected examples of photoisomerizable coordination compounds are provided. From the application point of view, light is an excellent tool to control SCO properties. The first and best known approach called Light Induced Excited Spin State Trapping (LIESST) has a significant technological limitation due to low temperatures (< 120 K) required for the trapping and existence of photoexcited metastable states. The second and more elegant approach known as Ligand-Driven Light-Induced Spin Crossover (LD-LISC) seems to be a very suitable strategy utilizing light-induced structural changes to control the spin. Isomerization of photoswitchable groups, such as azobenzenes or stilbenes, can cause reversible transformation between two isomeric forms after exposition to selective wavelengths at ambient temperature. A very recent third approach, the Guest-Driven Light-Induced Spin Crossover (GD-LISC) effect employing the photoisomerizable guest molecules to control the spin state has also been introduced.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41293923","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}
Tatiana Holkovičová, Z. Kohajdová, Michaela Lauková, Lucia Minarovičová
Abstract Natural sources and healthy cereal-based food have recently received a lot of attention by both professionals and the common population for improving overall well-being. In this case, Opuntia cactus and Opuntia derivates show high potential in the production of health-promoting cereal-based products. This study comprehensively reviews nutritional composition, health benefits of Opuntia spp. and its utilisation in the production of bread and pasta products. Moreover, the effect of this ingredient on the rheological properties of wheat dough and physical parameters as well as sensory properties of incorporated products is also discussed.
{"title":"Utilization of Opuntia as an alternative ingredient in value added bread and pasta products","authors":"Tatiana Holkovičová, Z. Kohajdová, Michaela Lauková, Lucia Minarovičová","doi":"10.2478/acs-2023-0005","DOIUrl":"https://doi.org/10.2478/acs-2023-0005","url":null,"abstract":"Abstract Natural sources and healthy cereal-based food have recently received a lot of attention by both professionals and the common population for improving overall well-being. In this case, Opuntia cactus and Opuntia derivates show high potential in the production of health-promoting cereal-based products. This study comprehensively reviews nutritional composition, health benefits of Opuntia spp. and its utilisation in the production of bread and pasta products. Moreover, the effect of this ingredient on the rheological properties of wheat dough and physical parameters as well as sensory properties of incorporated products is also discussed.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47373439","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}
Michaela Benköová, E. Mališová, P. Peciar, Adam Guštafík, J. Híveš
Abstract Surface water and groundwater are polluted with pharmaceuticals, detergents, pesticides, and many other substances. Application of ferrates seems to be a perspective option for wastewater treatment as ferrates are not only powerful oxidizing agents but also an excellent disinfecting and coagulating agents decomposing many stable inorganic, organic, and biological compounds. Final products of their decomposition do not include carcinogenic or toxic products. In this paper, stability of electrochemically prepared potassium ferrate encapsulated in packaging materials printed on a 3D printer was monitored. In the experiment, electrochemically prepared potassium ferrate with different purity (21.4 %, 63.5 % and 67.3 %) was used. Stability of potassium ferrate was monitored for one month and that of other ferrates for three months. Different storage conditions of ferrate samples were also compared. Storage conditions had a significant influence on the ferrate stability.
{"title":"Stability of ferrate during long-term storage","authors":"Michaela Benköová, E. Mališová, P. Peciar, Adam Guštafík, J. Híveš","doi":"10.2478/acs-2023-0004","DOIUrl":"https://doi.org/10.2478/acs-2023-0004","url":null,"abstract":"Abstract Surface water and groundwater are polluted with pharmaceuticals, detergents, pesticides, and many other substances. Application of ferrates seems to be a perspective option for wastewater treatment as ferrates are not only powerful oxidizing agents but also an excellent disinfecting and coagulating agents decomposing many stable inorganic, organic, and biological compounds. Final products of their decomposition do not include carcinogenic or toxic products. In this paper, stability of electrochemically prepared potassium ferrate encapsulated in packaging materials printed on a 3D printer was monitored. In the experiment, electrochemically prepared potassium ferrate with different purity (21.4 %, 63.5 % and 67.3 %) was used. Stability of potassium ferrate was monitored for one month and that of other ferrates for three months. Different storage conditions of ferrate samples were also compared. Storage conditions had a significant influence on the ferrate stability.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41979086","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}
Lucia Krasňanská, Katarína Hroboňová, Andrea Špačková
Abstract Analysis of lime peel was applied to assess their suitability for various intended purposes, e.g., application in perfumery, cosmetics, and cleaning products, or as a source of bioactive or other value-added compounds. Targeted analysis allows wider usability of the waste part of these natural materials. In the present study, a novel, efficient, lab-simple, time-saving analytical method for coumarins determination in lime peel, including sample pretreatment by extraction and quantification by HPLC with fluorescence detection (FLD), is introduced. Optimal conditions of ultrasound assisted extraction included water as extraction solvent, temperature of 40 °C, and extraction time of 10 min. A magnetic molecularly imprinted polymer was employed as solid phase extraction adsorbent for primary extract cleaning, isolation, and enrichment of coumarins before chromatographic analysis. Recovery of herniarin and umbelliferone was more than 86 % ((RSD ≤ 4.8 %). Linear range of 50—1000 ng/mL with correlation coefficient above 0.998 was obtained for the proposed HPLC-FLD method. The limit of quantification was 8.2 and 44 ng/mL for herniarin and umbelliferone, respectively. These results show that the proposed sample pretreatment procedure is suitable for analytical purposes and is perspective also for the analysis of other citrus samples, as well as for future scale-up preparative isolation of bioactive coumarins from citrus peel.
{"title":"Extraction of bioactive coumarins from lime peel as sample pretreatment before chromatographic analysis","authors":"Lucia Krasňanská, Katarína Hroboňová, Andrea Špačková","doi":"10.2478/acs-2023-0007","DOIUrl":"https://doi.org/10.2478/acs-2023-0007","url":null,"abstract":"Abstract Analysis of lime peel was applied to assess their suitability for various intended purposes, e.g., application in perfumery, cosmetics, and cleaning products, or as a source of bioactive or other value-added compounds. Targeted analysis allows wider usability of the waste part of these natural materials. In the present study, a novel, efficient, lab-simple, time-saving analytical method for coumarins determination in lime peel, including sample pretreatment by extraction and quantification by HPLC with fluorescence detection (FLD), is introduced. Optimal conditions of ultrasound assisted extraction included water as extraction solvent, temperature of 40 °C, and extraction time of 10 min. A magnetic molecularly imprinted polymer was employed as solid phase extraction adsorbent for primary extract cleaning, isolation, and enrichment of coumarins before chromatographic analysis. Recovery of herniarin and umbelliferone was more than 86 % ((RSD ≤ 4.8 %). Linear range of 50—1000 ng/mL with correlation coefficient above 0.998 was obtained for the proposed HPLC-FLD method. The limit of quantification was 8.2 and 44 ng/mL for herniarin and umbelliferone, respectively. These results show that the proposed sample pretreatment procedure is suitable for analytical purposes and is perspective also for the analysis of other citrus samples, as well as for future scale-up preparative isolation of bioactive coumarins from citrus peel.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135844135","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}
Abstract Structures of irinotecan (CPT-11) in neutral lactone, neutral carboxyl, and anionic carboxylate forms in singlet ground states and of their complexes with Cu(II) in doublet ground states are optimized using B3LYP/6-311G* treatment. Metal ion affinities (MIA), Cu charges and Laplacians of Cu-ligand bond critical points of possible CPT active sites are evaluated. The formation of Cu(II) complexes with the anionic carboxylate ligand leads to the release of CO2 that can cause a decrease in the concentration of the active lactone form due to equilibria between all forms of the drug. MIA values and electron density transfer to Cu increase in the sequence lactone < neutral carboxyl < anionic carboxylate. Both neutral forms of irinotecan exhibit lower MIA values than those of camptothecin, unlike the anionic carboxylate form.
{"title":"DFT studies of camptothecins cytotoxicity IV — active and inactive forms of irinotecan","authors":"M. Štekláč, M. Breza","doi":"10.2478/acs-2023-0001","DOIUrl":"https://doi.org/10.2478/acs-2023-0001","url":null,"abstract":"Abstract Structures of irinotecan (CPT-11) in neutral lactone, neutral carboxyl, and anionic carboxylate forms in singlet ground states and of their complexes with Cu(II) in doublet ground states are optimized using B3LYP/6-311G* treatment. Metal ion affinities (MIA), Cu charges and Laplacians of Cu-ligand bond critical points of possible CPT active sites are evaluated. The formation of Cu(II) complexes with the anionic carboxylate ligand leads to the release of CO2 that can cause a decrease in the concentration of the active lactone form due to equilibria between all forms of the drug. MIA values and electron density transfer to Cu increase in the sequence lactone < neutral carboxyl < anionic carboxylate. Both neutral forms of irinotecan exhibit lower MIA values than those of camptothecin, unlike the anionic carboxylate form.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43456035","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}
Tomáš Pagáč, Zuzana Kubová, J. Víglaš, Zuzana Kavalová, P. Olejníková
Abstract Soil-borne pathogenic fungi responsible for serious damage in agriculture are widely distributed. Traditional approach to control these pathogens leads to the use of chemical fungicides, many of which have proven harmful side effects on the environment. Mycoparasitic fungi of the genus Trichoderma have been used for pathogens biocontrol as well as for their ability to promote plant growth. As increased mycoparasitic activity of mutant strain Trichoderma atroviride F742 has been observed, its use as a biocontrol agent might be considered. In this work, we focused on mycoparasitic activity of the strain T. atroviride F742 prepared by UV mutagenesis (from parental strain T. atroviride F534) and the physiological role of T. atroviride metabolites in antibiosis. T. atroviride F742 shows remarkable mycoparasitic activity attacking and colonizing phytopathogens (Alternaria alternata, Botrytis cinerea, Fusarium culmorum). Its isolated metabolites inhibit the growth of bacteria, yeasts, and fungi Candida albicans, A. alternata and F. culmorum. As different expression patterns in the secondary metabolites production of ABC transporters have been observed, we suggest their role in transport of secondary metabolites produced by T. atroviride F742.
{"title":"Study on secondary metabolites of Trichoderma atroviride F742 and their role in antibiosis","authors":"Tomáš Pagáč, Zuzana Kubová, J. Víglaš, Zuzana Kavalová, P. Olejníková","doi":"10.2478/acs-2023-0002","DOIUrl":"https://doi.org/10.2478/acs-2023-0002","url":null,"abstract":"Abstract Soil-borne pathogenic fungi responsible for serious damage in agriculture are widely distributed. Traditional approach to control these pathogens leads to the use of chemical fungicides, many of which have proven harmful side effects on the environment. Mycoparasitic fungi of the genus Trichoderma have been used for pathogens biocontrol as well as for their ability to promote plant growth. As increased mycoparasitic activity of mutant strain Trichoderma atroviride F742 has been observed, its use as a biocontrol agent might be considered. In this work, we focused on mycoparasitic activity of the strain T. atroviride F742 prepared by UV mutagenesis (from parental strain T. atroviride F534) and the physiological role of T. atroviride metabolites in antibiosis. T. atroviride F742 shows remarkable mycoparasitic activity attacking and colonizing phytopathogens (Alternaria alternata, Botrytis cinerea, Fusarium culmorum). Its isolated metabolites inhibit the growth of bacteria, yeasts, and fungi Candida albicans, A. alternata and F. culmorum. As different expression patterns in the secondary metabolites production of ABC transporters have been observed, we suggest their role in transport of secondary metabolites produced by T. atroviride F742.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48245802","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}
Abstract Purine metabolites are important for metabolic and cellular processes. Deregulation of purinergic signaling leads to pathological accumulation of purine degradation products in extracellular fluids and indicates various diseases. In clinical diagnosis at early stages of related diseases, accurate detection of Uric acid and Xanthine is of high importance. Electrochemical methods are fast, simple, sensitive, more convenient, and cost-effective compared to other analytical methods used in purine metabolites signaling. Electrochemical sensors are able to detect more compounds simultaneously. Modification of a glassy carbon electrode sensor with external protective membranes was used in this study to avoid unwanted signal interferences from analyte matrices. Polyvinyl alcohol, Chitosan, and Nafion membranes were selected for sensor modification to compare the electro-neutral, positive and negative charged setting of the Xanthine and Uric acid detection. All three membrane modified sensors showed adequate stability in the phosphate buffer solution after 5 min of incubation and are thus suitable for simultaneous detection of purine metabolites. The best results in anodic peak current response values were observed using the Nafion membrane modified glassy carbon electrode sensor. The approach reported here can be useful for the detection of purine metabolites from various matrices at early stages of clinical diagnosis.
{"title":"Simultaneous detection of purine metabolites by membrane modified electrochemical sensors","authors":"J. Blaskovicová, Andrea Purdesová","doi":"10.2478/acs-2022-0007","DOIUrl":"https://doi.org/10.2478/acs-2022-0007","url":null,"abstract":"Abstract Purine metabolites are important for metabolic and cellular processes. Deregulation of purinergic signaling leads to pathological accumulation of purine degradation products in extracellular fluids and indicates various diseases. In clinical diagnosis at early stages of related diseases, accurate detection of Uric acid and Xanthine is of high importance. Electrochemical methods are fast, simple, sensitive, more convenient, and cost-effective compared to other analytical methods used in purine metabolites signaling. Electrochemical sensors are able to detect more compounds simultaneously. Modification of a glassy carbon electrode sensor with external protective membranes was used in this study to avoid unwanted signal interferences from analyte matrices. Polyvinyl alcohol, Chitosan, and Nafion membranes were selected for sensor modification to compare the electro-neutral, positive and negative charged setting of the Xanthine and Uric acid detection. All three membrane modified sensors showed adequate stability in the phosphate buffer solution after 5 min of incubation and are thus suitable for simultaneous detection of purine metabolites. The best results in anodic peak current response values were observed using the Nafion membrane modified glassy carbon electrode sensor. The approach reported here can be useful for the detection of purine metabolites from various matrices at early stages of clinical diagnosis.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48734319","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}
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