Zuzana Kubová, Tomáš Pagáč, J. Víglaš, P. Olejníková
Abstract Filamentous fungi are crucial for recycling of organic material in nature. In natural habitats, they cope with many stress factors and therefore their adaptation ability to various conditions is very high. Trichoderma sp., fungi used in agriculture as biocontrol agent, are exposed to a variety of toxic molecules including pesticides and fungicides. They have to fight with toxic molecules using stress adaptation mechanisms known as the stress response. Adaptation of fungi to stress, especially to chemical stress, is not well studied in environmental fungal strains. Moreover, the adaptation process presents a risk of resistance mechanism induction to antifungal agents. Such resistant strains could be spread in the environment. This work aims to contribute to the knowledge of the adaptation process spread throughout the fungal kingdom. Transcriptional response of ABC transporters, the main detoxification efflux pumps of subfamily B and G in presence of antifungal agents, is shown. On the other hand, as azoles are the most commonly used antifungal structures in clinical practice and agriculture, changes in important fungal ergosterol biosynthesis genes as a result of their exposure to various azoles structure are highlighted.
{"title":"Detoxification and adaptation mechanisms of Trichoderma atroviride to antifungal agents","authors":"Zuzana Kubová, Tomáš Pagáč, J. Víglaš, P. Olejníková","doi":"10.2478/acs-2022-0010","DOIUrl":"https://doi.org/10.2478/acs-2022-0010","url":null,"abstract":"Abstract Filamentous fungi are crucial for recycling of organic material in nature. In natural habitats, they cope with many stress factors and therefore their adaptation ability to various conditions is very high. Trichoderma sp., fungi used in agriculture as biocontrol agent, are exposed to a variety of toxic molecules including pesticides and fungicides. They have to fight with toxic molecules using stress adaptation mechanisms known as the stress response. Adaptation of fungi to stress, especially to chemical stress, is not well studied in environmental fungal strains. Moreover, the adaptation process presents a risk of resistance mechanism induction to antifungal agents. Such resistant strains could be spread in the environment. This work aims to contribute to the knowledge of the adaptation process spread throughout the fungal kingdom. Transcriptional response of ABC transporters, the main detoxification efflux pumps of subfamily B and G in presence of antifungal agents, is shown. On the other hand, as azoles are the most commonly used antifungal structures in clinical practice and agriculture, changes in important fungal ergosterol biosynthesis genes as a result of their exposure to various azoles structure are highlighted.","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":"42707386","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 A systematic quantum chemical study of model linear oligomers and their ring-fused (condensed) analogues based on six-membered and five-membered aromatic units is presented. Static electric polarizabilities were calculated for optimal geometries. The dependence of electronic and vibrational polarizability contributions on the molecular size was discussed and polymer limits were estimated. The presence of a diradical electronic structure in fused six-membered compounds significantly increases the polarizability values.
{"title":"Impact of molecular chain length on polarizabilities of model acenes and oligomers","authors":"Matej Uhliar, J. Matúska, D. Cagardová","doi":"10.2478/acs-2022-0013","DOIUrl":"https://doi.org/10.2478/acs-2022-0013","url":null,"abstract":"Abstract A systematic quantum chemical study of model linear oligomers and their ring-fused (condensed) analogues based on six-membered and five-membered aromatic units is presented. Static electric polarizabilities were calculated for optimal geometries. The dependence of electronic and vibrational polarizability contributions on the molecular size was discussed and polymer limits were estimated. The presence of a diradical electronic structure in fused six-membered compounds significantly increases the polarizability values.","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":"48966142","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}
Silvia Martiniaková, A. Ácsová, J. Hojerová, Zuzana Krepsová, František Kreps
Abstract Due to adverse effects of free radicals on human skin and increasing consumer demand for natural ingredients, essential oils from basil, Ceylon cinnamon bark, clove, juniper, lavender, oregano, rosemary, tea tree, thyme, and ylang-ylang were assessed for their antiradical activity. The oils were evaluated in the concentration range of 5—0.1 mg·mL−1, in which the three reference synthetic antioxidants are most often added to mass-produced cosmetics. Among all examined samples, C. cinnamon oil at a concentration of 5 mg·mL−1 showed the strongest DPPH radical scavenging activity (0.41 mg·mL−1 IC50), followed by clove oil, BHA, α-tocopherol, and BHT (0.82, 0.84, 0.88 and 0.93 mg·mL−1 IC50), respectively. At the same concentration, the reduction power of C. cinnamon oil was higher (1.64 mg·mL−1 Trolox Eq.) than that of α-tocopherol and BHT (1.42 and 0.80 mmol·L−1 Trolox Eq., respectively) but lower than that of BHA (1.81 mmol·L–1 Trolox Eq.). Antiradical activity of the other eight essential oils was low or negligible. C. cinnamon oil and clove oil are promising antiradical agents for skin care but according to our GC-MS analysis, these oils contain 0.29 % of cinnamaldehyde, 0.03 % of linalool, 0.02 % of D-limonene, and 0.02 % of eugenol or 0.41 % of eugenol and 0.002 % of linalool, respectively, which are monitored contact allergens in cosmetics. Such a product is not be suitable for consumers allergic to these substances but for the vast majority of consumers it does not pose a risk in terms of allergic manifestations.
{"title":"Ceylon cinnamon and clove essential oils as promising free radical scavengers for skin care products","authors":"Silvia Martiniaková, A. Ácsová, J. Hojerová, Zuzana Krepsová, František Kreps","doi":"10.2478/acs-2022-0001","DOIUrl":"https://doi.org/10.2478/acs-2022-0001","url":null,"abstract":"Abstract Due to adverse effects of free radicals on human skin and increasing consumer demand for natural ingredients, essential oils from basil, Ceylon cinnamon bark, clove, juniper, lavender, oregano, rosemary, tea tree, thyme, and ylang-ylang were assessed for their antiradical activity. The oils were evaluated in the concentration range of 5—0.1 mg·mL−1, in which the three reference synthetic antioxidants are most often added to mass-produced cosmetics. Among all examined samples, C. cinnamon oil at a concentration of 5 mg·mL−1 showed the strongest DPPH radical scavenging activity (0.41 mg·mL−1 IC50), followed by clove oil, BHA, α-tocopherol, and BHT (0.82, 0.84, 0.88 and 0.93 mg·mL−1 IC50), respectively. At the same concentration, the reduction power of C. cinnamon oil was higher (1.64 mg·mL−1 Trolox Eq.) than that of α-tocopherol and BHT (1.42 and 0.80 mmol·L−1 Trolox Eq., respectively) but lower than that of BHA (1.81 mmol·L–1 Trolox Eq.). Antiradical activity of the other eight essential oils was low or negligible. C. cinnamon oil and clove oil are promising antiradical agents for skin care but according to our GC-MS analysis, these oils contain 0.29 % of cinnamaldehyde, 0.03 % of linalool, 0.02 % of D-limonene, and 0.02 % of eugenol or 0.41 % of eugenol and 0.002 % of linalool, respectively, which are monitored contact allergens in cosmetics. Such a product is not be suitable for consumers allergic to these substances but for the vast majority of consumers it does not pose a risk in terms of allergic manifestations.","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":"44334038","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 This work focuses on the assessment of alachlor toxicity, its impact on aquatic and terrestrial ecosystems, non-target organisms, and humans, as well as with pesticide legislation in the European Union and Slovakia. In the experimental part, the pesticide alachlor was degraded by various ozone-based processes. Toxicity of the original substance and its degradation products was evaluated by ecotoxicity tests on white mustard and bulb onion. Respirometric measurements were performed to assess their effect on the microorganisms of activated sludge process. From the results it is possible to evaluate that the degradation of alachlor by ozonation at alkaline pH resulted in less toxic substances compared to the original pesticide.
{"title":"Alachlor — ecotoxicity of ozonation by-products","authors":"Oľga Čižmárová, Ronald Zakhar, J. Derco","doi":"10.2478/acs-2021-0010","DOIUrl":"https://doi.org/10.2478/acs-2021-0010","url":null,"abstract":"Abstract This work focuses on the assessment of alachlor toxicity, its impact on aquatic and terrestrial ecosystems, non-target organisms, and humans, as well as with pesticide legislation in the European Union and Slovakia. In the experimental part, the pesticide alachlor was degraded by various ozone-based processes. Toxicity of the original substance and its degradation products was evaluated by ecotoxicity tests on white mustard and bulb onion. Respirometric measurements were performed to assess their effect on the microorganisms of activated sludge process. From the results it is possible to evaluate that the degradation of alachlor by ozonation at alkaline pH resulted in less toxic substances compared to the original pesticide.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43628228","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 Gas-phase geometry and electronic structure of lumichrome, 1-methyl-lumichrome and lumiflavin in the electronic ground state and their excited states were investigated using the Density Functional Theory. Their binding ability with thymine was estimated for model van der Waals dimers with two intermolecular hydrogen bonds. The influence of hydrogen bonds on their photophysical properties was analyzed. Obtained theoretical data were compared with available experimental absorption and fluorescence spectra.
{"title":"Theoretical study of lumichrome, 1-methyl-lumichrome and lumiflavin binding ability with thymine","authors":"D. Cagardová, M. Michalík, Vladimír Lukes","doi":"10.2478/acs-2021-0002","DOIUrl":"https://doi.org/10.2478/acs-2021-0002","url":null,"abstract":"Abstract Gas-phase geometry and electronic structure of lumichrome, 1-methyl-lumichrome and lumiflavin in the electronic ground state and their excited states were investigated using the Density Functional Theory. Their binding ability with thymine was estimated for model van der Waals dimers with two intermolecular hydrogen bonds. The influence of hydrogen bonds on their photophysical properties was analyzed. Obtained theoretical data were compared with available experimental absorption and fluorescence spectra.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45805146","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}
B. Horváth, M. Petrík, Dana Gašparovičová, T. Soták
Abstract Utilization of a low-cost biomaterial, such as bioethanol, to produce value–added compounds for current industry has been investigated. This work is focused on the catalytic transformation of bioethanol into industrially significant alkenes. Catalytic transformation of ethanol was studied using catalysts based mainly on nanostructured materials as Mg-Al hydrotalcites, sepiolites and zeolites doped with Cu, K, Sr, Zn and Mn. The catalytic tests were carried out in a plug-flow reactor in the temperature range of 350—550 °C. Undoped zeolites promote acid-catalyzed dehydration of ethanol, while in case of basic catalysts, such as hydrotalcites, the product distribution is shifted toward butadiene. The impact of the hydrotalcites preparation method on their structure and catalytic activity is reported. It was found that hydrotalcite with well-developed layered structure, prepared by slow hydrolysis, promotes the formation of butadiene (with butadiene yield of 28.2 % at 400 °C vs. ethylene yield of 17.2 % at 550 °C).
{"title":"Nanostructured catalysts for BIOEthanol transformation to industrially important chemicals","authors":"B. Horváth, M. Petrík, Dana Gašparovičová, T. Soták","doi":"10.2478/acs-2021-0009","DOIUrl":"https://doi.org/10.2478/acs-2021-0009","url":null,"abstract":"Abstract Utilization of a low-cost biomaterial, such as bioethanol, to produce value–added compounds for current industry has been investigated. This work is focused on the catalytic transformation of bioethanol into industrially significant alkenes. Catalytic transformation of ethanol was studied using catalysts based mainly on nanostructured materials as Mg-Al hydrotalcites, sepiolites and zeolites doped with Cu, K, Sr, Zn and Mn. The catalytic tests were carried out in a plug-flow reactor in the temperature range of 350—550 °C. Undoped zeolites promote acid-catalyzed dehydration of ethanol, while in case of basic catalysts, such as hydrotalcites, the product distribution is shifted toward butadiene. The impact of the hydrotalcites preparation method on their structure and catalytic activity is reported. It was found that hydrotalcite with well-developed layered structure, prepared by slow hydrolysis, promotes the formation of butadiene (with butadiene yield of 28.2 % at 400 °C vs. ethylene yield of 17.2 % at 550 °C).","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48053899","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 The relation between copper atomic charges and metal-ligand interaction energies obtained by PM6 and DFT-B3LYP methods for cytotoxicity prediction of model rutile nanoparticles [Ti40O124H81]7–, [Ti7O28H26]2–, [Ti2O10H10]2–, [Ti7O30H30]2– and their Cu(II) complexes is investigated. Except for Mulliken charges, very good statistical parameters were obtained for the linear relation between the results obtained by both methods if standard accuracy of quantum-chemical calculations is achieved.
{"title":"Quantum-chemical studies of rutile nanoparticles toxicity II. Comparison of B3LYP and PM6 data","authors":"M. Breza","doi":"10.2478/acs-2021-0006","DOIUrl":"https://doi.org/10.2478/acs-2021-0006","url":null,"abstract":"Abstract The relation between copper atomic charges and metal-ligand interaction energies obtained by PM6 and DFT-B3LYP methods for cytotoxicity prediction of model rutile nanoparticles [Ti40O124H81]7–, [Ti7O28H26]2–, [Ti2O10H10]2–, [Ti7O30H30]2– and their Cu(II) complexes is investigated. Except for Mulliken charges, very good statistical parameters were obtained for the linear relation between the results obtained by both methods if standard accuracy of quantum-chemical calculations is achieved.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45134290","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}
M. Mojto, M. Horváthová, Karol Kiš, M. Furka, M. Bakosová
Abstract Rapid growth of the human population has led to various problems, such as massive overload of wastewater treatment plants. Therefore, optimal control of these plants is a relevant subject. This contribution analyses control of a cascade of ten biochemical reactors using simulation results with the aim to design optimal and predictive control strategies and to compare the achieved control performance. The plant represents a complicated process with many variables involved in the model structure, reduced to the single-input and single-output system. The first implemented approach is linear offset-free model predictive control which provides the optimal input trajectory minimising a quadratic cost function. The second control strategy is robust model predictive control with similar features as model predictive control but including the uncertainty of the process. The final approach is generalised predictive control, mostly used in the industry because of its simple structure and sufficiently good control performance. All considered predictive controllers provide satisfactory control performance and remove the steady-state control error despite the constrained control inputs.
{"title":"Predictive control of a cascade of biochemical reactors","authors":"M. Mojto, M. Horváthová, Karol Kiš, M. Furka, M. Bakosová","doi":"10.2478/acs-2021-0007","DOIUrl":"https://doi.org/10.2478/acs-2021-0007","url":null,"abstract":"Abstract Rapid growth of the human population has led to various problems, such as massive overload of wastewater treatment plants. Therefore, optimal control of these plants is a relevant subject. This contribution analyses control of a cascade of ten biochemical reactors using simulation results with the aim to design optimal and predictive control strategies and to compare the achieved control performance. The plant represents a complicated process with many variables involved in the model structure, reduced to the single-input and single-output system. The first implemented approach is linear offset-free model predictive control which provides the optimal input trajectory minimising a quadratic cost function. The second control strategy is robust model predictive control with similar features as model predictive control but including the uncertainty of the process. The final approach is generalised predictive control, mostly used in the industry because of its simple structure and sufficiently good control performance. All considered predictive controllers provide satisfactory control performance and remove the steady-state control error despite the constrained control inputs.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48808896","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 Many metal carbonyl complexes have been synthesized and analyzed as CO-releasing agents. As in many bioactivity assays, differences between in-vitro and in-vivo studies in Myoglobin Assay have been observed. Adjustment of in-vitro conditions to in-vivo conditions is one way to overcoming this problem. Changing the conditions of each in-vivo assay is not possible considering the available grant, material, and labor facilities. In-silico methods are suitable as they provide better in-vitro conditions before experimental procedures. A method which is easy to employ on a basic computer could be more suitable to observe the assay convergence. In this study, global reactivity descriptors were used as an approach to investigate pH differences in myoglobin assay. Global reactivity descriptors of the molecules were compared with myoglobin assay results at different pH values and molecular docking results performed with optimized molecules in different solvents. The following complexes were studied: [Mn(CO)3(bpy)(L)]PF6 (bpy: 2,2-bipyridyl, L: benzylbenzimidazole, 4-chlorobenzylbenzimidazole).
{"title":"A simple theoretical approach to converging of Myoglobin-Assay with different pH values","authors":"Özgehan Cansu Gülcü, E. Üstün","doi":"10.2478/acs-2021-0012","DOIUrl":"https://doi.org/10.2478/acs-2021-0012","url":null,"abstract":"Abstract Many metal carbonyl complexes have been synthesized and analyzed as CO-releasing agents. As in many bioactivity assays, differences between in-vitro and in-vivo studies in Myoglobin Assay have been observed. Adjustment of in-vitro conditions to in-vivo conditions is one way to overcoming this problem. Changing the conditions of each in-vivo assay is not possible considering the available grant, material, and labor facilities. In-silico methods are suitable as they provide better in-vitro conditions before experimental procedures. A method which is easy to employ on a basic computer could be more suitable to observe the assay convergence. In this study, global reactivity descriptors were used as an approach to investigate pH differences in myoglobin assay. Global reactivity descriptors of the molecules were compared with myoglobin assay results at different pH values and molecular docking results performed with optimized molecules in different solvents. The following complexes were studied: [Mn(CO)3(bpy)(L)]PF6 (bpy: 2,2-bipyridyl, L: benzylbenzimidazole, 4-chlorobenzylbenzimidazole).","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43041909","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 Conformation analysis of dehydroascorbic acid and its bicyclic form was performed using the density functional theory. For the energetically preferred conformations, ionization potentials (IP) and bond dissociation enthalpies (BDE) were calculated using the B3LYP functional and 6-311++G** basis set. The effects of aqueous solution were estimated using the solvation model based on density (SMD) and the polarizable continuum model (IEF-PCM). The obtained results were compared with available experimental data for reference L-ascorbic acid (vitamin C). Our calculations indicate that the investigated bicyclic metabolic product of vitamin C can also exhibit limited radical scavenging ability due to the thermodynamically preferred dissociation of tertiary —CH bonds.
{"title":"Thermodynamic prediction of proton and hydrogen atom abstraction in dehydroascorbic acid and its bicyclic form","authors":"Dagmar Štellerová, Vladimír Lukes","doi":"10.2478/acs-2021-0005","DOIUrl":"https://doi.org/10.2478/acs-2021-0005","url":null,"abstract":"Abstract Conformation analysis of dehydroascorbic acid and its bicyclic form was performed using the density functional theory. For the energetically preferred conformations, ionization potentials (IP) and bond dissociation enthalpies (BDE) were calculated using the B3LYP functional and 6-311++G** basis set. The effects of aqueous solution were estimated using the solvation model based on density (SMD) and the polarizable continuum model (IEF-PCM). The obtained results were compared with available experimental data for reference L-ascorbic acid (vitamin C). Our calculations indicate that the investigated bicyclic metabolic product of vitamin C can also exhibit limited radical scavenging ability due to the thermodynamically preferred dissociation of tertiary —CH bonds.","PeriodicalId":7088,"journal":{"name":"Acta Chimica Slovaca","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42376038","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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