Journal of the Mexican Chemical Society最新文献

{"title":"Potential Compounds Interacting in a Specific Potential Site in SARS-CoV-2 Variants, Selected by Molecular Docking","authors":"C. Benítez-Cardoza, Jesús Néstor Ramirez-Torres, J. L. Vique‐Sánchez","doi":"10.29356/jmcs.v66i4.1805","DOIUrl":"https://doi.org/10.29356/jmcs.v66i4.1805","url":null,"abstract":"Abstract. The SARS-CoV-2 virus continues developing variants, and different ways of treatments have been proposed during this COVID-19 pandemic. This study proposes compounds to develop a drug against SARS-CoV-2 variants, by molecular docking using a library of compounds (502530 compounds) directed to interact in the region between the amino acids (Ser477, Lys478, Pro479, Cys480, Asn481, Gly482, Val483, Lys484, Gly485, Phe486, Asn487, Cys488, and Tyr489) in the RBD in S-Protein of SARS-CoV-2, this is a specific potential site in SARS-CoV-2 variants.\u0000We propose ten compounds selected by molecular docking, with a high probability to interact in the specific region in the RBD of SARS-CoV-2 variants (amino acids between 478 and 484), to reduce the interaction between S-protein and ACE2. Also, these compounds have a high probability to be safe in humans, validated by web servers of prediction of ADME and toxicity (PreADMET) to develop a new specific adjuvant antiviral against SARS-CoV-2 variants.\u0000 \u0000Resumen. El virus SARS-CoV-2 continúa desarrollando variantes y se han propuesto diferentes formas de tratamiento durante esta pandemia de COVID-19. Este estudio propone compuestos para desarrollar un fármaco contra las variantes del SARS-CoV-2, mediante simulaciones de acoplamiento molecular (docking) utilizando una quimioteca de compuestos (502530 compuestos) dirigidos a interactuar en la región entre los aminoácidos (Ser477, Lys478, Pro479, Cys480, Asn481, Gly482, Val483, Lys484, Gly485, Phe486, Asn487, Cys488 y Tyr489) en la RBD en la proteína S del SARS-CoV-2, este es un sitio potencial específico en las variantes del SARS-CoV-2.\u0000Proponemos diez compuestos seleccionados por docking, con una alta probabilidad de interactuar en la región específica en la RBD de las variantes del SARS-CoV-2 (aminoácidos entre 478 y 484), para reducir la interacción entre la proteína S y ACE2. Además, estos compuestos tienen una alta probabilidad de ser seguros en humanos, validados por servidores web de predicción de ADME y toxicidad (PreADMET) para desarrollar un nuevo antiviral adyuvante específico contra variantes del SARS-CoV-2.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"4 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89634594","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":"Docking Based Identification of Bioactive Diosmin as Potential Multi-Targeted Anti SARS-Cov-2 Agent","authors":"D. Panigrahi, B. Behera, S. Sahu","doi":"10.29356/jmcs.v66i3.1683","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1683","url":null,"abstract":"Abstract. The pandemic COVID-19, caused by the organism severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) belongs to the family Coronoviridae has become a serious global healthcare crisis.   The biggest demand of the present time is to develop efficacious medication for the treatment of SARS-CoV-2. In the present study, we performed the interaction of 50 flavonoids selected from the Pubchem database, with five efficacious protein targets for SARS-CoV-2: main protease (Mpro), spike glycoprotein-receptor binding domain (SGp-RBD), RNA-dependent RNA polymerase (RdRp), angiotensin converting enzyme-2 (ACE-2) and non-structural protein15 (NSP15, an endonuclease). All the work involve in the present study was accomplished by using Maestro 12.4 (Schrodinger Suite) to obtain the docking scores and ADME-T study result of selected ligands with the five effective target proteins of SARS-CoV-2. Molecular docking-based results indicated that diosmin has the most favorable docking scores -10.16, -11.52, -9.75, -11.25 and -10.25 kcal/mol for the Mpro, SGp-RBD, ACE-2, RdRp and NSP-15 protein targets and had acceptable drug suitability as a therapeutic agent against COVID-19. The structure of this compound can be further useful to medicinal chemists, pharmacologists, and clinicians for efficiently discovering or developing effective drugs to cure COVID-19.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"35 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79560994","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":"A Kinetic and Mechanistic Study of Oxidative Degradation of 2-Aminophenol in Aqueous Alkaline Medium and Antimicrobial Study of Degradation Product 2-Aminophenoxazin-3-One","authors":"A. Goel, M. Rani","doi":"10.29356/jmcs.v66i3.1756","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1756","url":null,"abstract":"Abstract. The oxidation reaction of a model environmental pollutant, 2-AP to 2-aminophenoxazin-3-one initiated by hexacyanoferrate (III) ion, abbreviated (HCF (III), has been investigated at 25 °C. The 2-aminophenoxazin-3-one (2-AHP) acts as a good antibacterial agent. The experimental data, within the pH range 7.5 to 10 were analyzed. The oxidation of 2-aminophenol was followed kinetic- spectrophotometrically and the initial rates were determined using plane mirror method. The effect of temperature variation on the overall rates was studied at pH = 9 within the range 298-313 K and the corresponding activation energy were evaluated. The rate constant, activation energy, enthalpy, entropy, pre-exponential factor and free energy are: kobs = 11.7 x 10-5 min-1, Ea# = 8.24 kcal/mol, ΔH# = 7.63 kcal/mol, ΔS# = -31.5 e.u, A = 23.7 L mol-1 s-1 and ΔF# = 17.2 kcal /mol. The oxidized product 2-aminophenoxazin-3-one was identified by the FTIR and GC-MS methods of analysis. Antimicrobial activity study of product (2-AHP) with gram positive (S. aureus) and gram-negative bacteria (E. coli) by Agar well diffusion method has been made. The study reveals that antibacterial activity of 2-AHP is more for Staphylococcus aureus (gram positive bacteria) as compared to E. coli (gram negative) bacteria. Thus, the present method is simple, efficient and environmentally friendly for the degradation of 2-aminophenol.\u0000 \u0000Resumen. Se investigó a reacción de oxidación de un contaminante ambiental modelo, el 2-aminofenol a 2-aminofenoxazin-3-ona (2-AHP) iniciada por el ion hexacianoferrato (III), (HCF (III), a 25 °C, compuesto que actúa como un buen agente antibacteriano. Se analizaron los datos experimentales, dentro del rango de pH de 7,5 a 10. La cinética de la oxidación del 2-aminofenol se siguió espectrofotométricamente y la rapidez inicial se determinó utilizando el método de espejo plano. Se estudió el efecto de la variación de la temperatura sobre rapidez de reacción global a pH = 9, dentro del rango de temperatura de 298 a 313 K y se evaluó la energía de activación correspondiente. La constante de rapidez, la energía de activación, la entalpía, la entropía, el factor preexponencial y la energía libre para esta reacción son: kobs = 11,7 x 10-5 min-1, Ea#= 8,24 kcal/mol, ΔH# = 7,63 kcal/mol, ΔS# = -31,5 e.u, A = 23,7 l/mol/s y ΔF# = 17,2 kcal/mol. El producto oxidado, el 2-AHP, fue identificado por los métodos de análisis FTIR y GC-MS. Su actividad antimicrobiana fue evaluada frente a S. aureus (gram positivo) y bacterias gram negativas (E. coli) mediante el método de difusión en pozos de agar. El estudio revela que la actividad antibacteriana de 2-AHP es mayor para S. aureus en comparación con la bacteria E. coli. Por tanto, el presente método es simple, eficiente y respetuoso con el medio ambiente para la degradación de 2-aminofenol.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"68 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75632833","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":"On the Pro-oxidant Activity of Curcumin in Lipid Media: A Theoretical Study","authors":"M. E. Medina, Á. Trigos","doi":"10.29356/jmcs.v66i3.1727","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1727","url":null,"abstract":"Abstract. In the scientific literature can be found experimental evidence on the pro-oxidant capacity of curcumin through its photosensitizer property; it has been related to biological activities such as the antibacterial and antitumor observed in this molecule; however, the pro-oxidant evidence, little is known about the reaction mechanism involved in the photosensitizing property of curcumin. Thus, it was carried out a study on the photosensitizer capacity of curcumin in lipid media employs the density functional theory. The thermodynamic results showed the remarkable capacity of curcumin to reduce itself through the single electron transfer mechanisms. The kinetic results showed that mechanism type II is the main mechanism, and it showed a total reaction rate constant calculated of 1.69 x 1010 M-1 s-1 on the photosensitizer capacity of curcumin in lipid media. The reactions related to the mechanism type I was not feasible; hence, these reactions were not contributed to the photosensitizer capacity of curcumin in lipid media. Finally, these results support the idea that the curcumin in lipid media is a pro-oxidant molecule capable of generating the 1O2 molecule and, consequently, could cause oxidative damage through the photooxidative reactions.\u0000 \u0000Resumen. En la literatura se puede encontrar evidencia experimental sobre la capacidad pro-oxidante de la curcumina a traves de su propiedad fotosensibilizadora, esta propiedad se ha relacionado con la actividad antibacteriana y antitumoral observada en esta molécula; a pesar de la evidencia experimental, poco se conoce sobre el mecanismo de reacción involucrado en la propiedad fotosensibilizadora de la curcumina. De acuerdo con lo anterior, se llevó a cabo el estudio de la capacidad fotosensibilizadora de curcumina en medio lipídico, empleando la teoría de funcionales de la densidad. Los resultados termodinámicos mostraron la extraordinaria capacidad de la curcumina para reducirse a través de reacciones de transferencia electrónica. Los resultados cinéticos mostraron que el mecanismo tipo II es el más importante en la capacidad fotosensibilizadora de la curcumina en medio lipídico, mostrando una constante de velocidad de 1.69 x 1010 M-1 s-1. La reacción relacionada con el mecanismo tipo I no se lleva a cabo; por lo tanto, estas reacciones no contribuyen en la capacidad fotosensibilizadora de la curcumina en medio lipídico. Finalmente, estos resultados apoyan la idea de que la curcumina en medio lipídico es una molécula prooxidante capaz de inducir el estrés oxidativo por la generación de la molécula de 1O2 y de esta forma, generar daño oxidativo a estructuras celulares importantes a través de reacciones de fotooxidación.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"46 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80618746","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":"Comparative Effect of Adsorption and Photodegradation on Benzene and Naphthalene Using Bismuth Oxide Modify Graphene Oxide","authors":"José M. Osorio Jiménez, R. López González, Cinthia García Mendoza, I. Cuauhtémoc-López, M. A. Alvarez Lemus, Getsemani Morales Mendoza","doi":"10.29356/jmcs.v66i3.1611","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1611","url":null,"abstract":"Abstract. The removal of pollutants derived from oil industry takes relevance in industrial zones moreover if some of them has been reported as carcinogenic and detrimental to public health at low concentrations. In this research was explored the synergic effect between adsorption of the hydrocarbon’s benzene and naphthalene and its photodegradation under visible irradiation. The capabilities of system graphene oxide (GO) - bismuth oxide (Bi2O3) were evaluated both as adsorbent and active semiconductor for the removal of benzene and naphthalene in aqueous media. The content ratio between materials was changed to evaluate the effect on its properties. The X-ray diffraction indicates the stability of α-bismuth oxide which is known as an efficient photocatalyst meanwhile Raman spectroscopy indicates the successfully obtaining of detached layer of graphene oxide. The energy band gap of the most photoactive composites materials indicates an increase comparing with bare GO, this increase is favorable to decrease the high electron transfer in its surface. The removal efficiency of benzene and naphthalene indicate the predominance of the adsorption process; the highest elimination was for naphthalene removing 73 percent of the pollutant in aqueous media. The results indicate the system as a promising alternative for the elimination of contaminants derived from the hydrocarbons industry when present in aqueous media.  \u0000 \u0000Resumen. La remoción de contaminantes derivados de industria del petróleo toma relevancia in zonas industriales sobre todo porque varios de ellos han sido reportados como cancerígenos y en general perjudiciales para la salud pública aún en bajas concentraciones. En esta investigación se explora el efecto sinérgico entre la adsorción de los hidrocarburos benceno y naftaleno y su fotodegradación bajo irradiación visible. Se evaluó la capacidad del sistema óxido de grafeno (GO)-óxido de bismuto (Bi2O3) como adsorbente y semiconductor activo para la eliminación de benceno y naftaleno en medio acuoso. Se cambió la relación de contenido entre materiales propuestos para evaluar el efecto sobre sus propiedades fisicoquímicas. De los resultados, la difracción de rayos X indica la estabilidad del α- óxido de bismuto, conocido como un fotocatalizador eficiente, mientras que por espectroscopia Raman se indica la obtención de capa separadas de óxido de grafeno. La energía de banda prohibida de los materiales fotoactivos indica un aumento en comparación con el GO puro, este aumento se considera favorable para disminuir la alta transferencia de electrones en su superficie. La eficiencia en la remoción de benceno y naftaleno indica el predominio del proceso de adsorción; la mayor eliminación fue para el naftaleno eliminándose el 73 por ciento del contaminante en medio acuoso. Los resultados señalan al sistema como una alternativa prometedora para la eliminación de contaminantes derivados de la industria de los hidrocarburos en medio acuoso.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84865796","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 of Ferrocene Based Schiff Bases Possessing Different Metal Ion Sensing Aptitude and Partaking Antimicrobial Activity","authors":"S. Dhasarathan, Selvaraj Shunmugaperumal, Kamatchi Selvaraj P","doi":"10.29356/jmcs.v66i3.1677","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1677","url":null,"abstract":"Abstract. Schiff bases comprised of highly reactive ferrocene derivatives and normal aromatic moiety have been prepared successfully. Spectral variations noticed in the spectra of newly synthesized receptors for the addition of different metal ions discloses the multi metal ion sensing ability of the prepared sensors. Harmonization of Cu2+ ions with receptor originate as MLCT band in the visible region. Shrewdness made from the data obtained from cyclic voltammetry studies give an idea about the concentration of metal ions needed for effective sensing. In vitro antimicrobial studies and H- bond energy calculation for the interaction between the above sensory materials and proteins of selected microorganisms using molecular docking studies disclosures the antifungal activity of newly prepared materials.\u0000 \u0000Resumen. Bases de Schiff derivadas de grupos ferrocenilos altamente reactivos y grupos aromáticas fueron preparadas exitosamente. La habilidad de los sistemas como sensores para detectar diversos iones metálicos se vió en la variación de las características observadas en sus espectors. La interacción de iones Cu2+ con el receptor produce una banda MLCT en la región visible. Los estudios de voltametría cíclica indican la concentración de los iones metálicos necesaria para una detección eficiente. Estudios antimicrobianos in vitro y cálculos de la energía de puentes de hidrógeno para las interacciones entre los sensores (bases de Schiff) y las proteínas de microorganismos selectos, basados en estudios de acoplamiento molecular, confirman la actividad antifúngica de los nuevos compuestos reportados.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"35 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74660789","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":"Microwave Assisted, Silica Gel Mediated, Solvent Free, Michael-Addition of Aryl Methyl Ketones with Chalcones for the Synthesis of 1,3,5-triarylpentane-1,5-diones","authors":"Chithiravel Rengasamy, Rajaguru Kandasamy, Muthusubramanian Shanmugam","doi":"10.29356/jmcs.v66i3.1706","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1706","url":null,"abstract":"Abstract. A series of symmetrical/unsymmetrical 1,3,5-Triarylpentane-1,5-diketone derivatives have been prudently synthesized via direct Michael addition of Chalocones with Aryl Methyl Ketones using microwave irradiation using Silica gel without any solvents. This method affords several advantages such as operational simplicity, short reaction time and easy work up by recrystallization and excellent yields.\u0000 \u0000Resumen. Se prepararó una serie de derivados simétricos y asimétricos de 1,3,5-triaril-1,5-pentanodiona, a través de la adición de Michael entre arilmetilcetonas y chalconas empelando microondas y gel de sílice con y sin disolvente. El método ofrece ventajas como simplicidad operativa, reducción de los tiempos de reacción y fácil procesamiento por recristaización, así como excelentes rendimientos.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"480 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76372611","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":"Enzyme Inhibitory and Mutagenicity Guided Investigation of Selected Medicinal Plants in Different Solvents","authors":"J. Hafeez, F. Hussain, Muhammad Shahid, A. Sameen","doi":"10.29356/jmcs.v66i3.1721","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1721","url":null,"abstract":"Abstract. Plants have developed the foundation of traditional systems of medicine that have been in existence for thousands of years due to the presence of vital bioactive constitutes. Aside from antioxidant, antimicrobial, hypoglycemic, anticarcinogenic and numerous activities of natural products, limited recognition regarding diverse therapeutic attributes of medicinal plants such as Momordica charantia, Syzygium cumini, Zingiber officinale and Parthenium hysterophorus exist. The current study was designed to explore the enzyme inhibitory (alpha glucosidase and acetylcholinesterase) and cytotoxicity capacities of solvent fractions of these indigenous plants. All the samples had inhibitory effects on alpha glucosidase, but methanolic fractionations of each plant exhibited greater inhibitory efficacy against enzyme action compared to other fractionations. Except for the methanolic extract of Parthenium hysterophorus (33.25 ± 0.43), all other studied plants, viz. Zingiber officinale (50.33 ± 0.99), S. cumini (73.91 ± 1.05) and Momordica charantia (72.30 ± 1.17) indicated more than 50% alpha glucosidase inhibitory potentials. Acetylcholinesterase inhibitions (percentage inhibition) by different fractions of P. hysterophorus, Z. officinale, S. cumini and M. charantia were in the range of 0.23 ± 0.14 to 11.40 ± 0.26, 13.04 ± 0.11 to 44.05 ± 0.76, 4.21 ± 0.15 to 71.55 ± 0.80 and 1.03 ± 0.09 to 50.12 ± 0.82 respectively. Among all studied plants, Momordica charantia, Syzygium cumini, and Zingiber officinale were non-mutagenic. Although slight variation in bioactivities was observed, all the botanical extracts are excellent sources of bioactive constituents with the potential to inhibit alpha glucosidase and acetylcholinesterase. Further research in this regard is warranted involving bioassay-guided assessment.\u0000 \u0000Resumen. Las plantas han desarrollado la base de los sistemas tradicionales de medicina que existen desde hace miles de años debido a la presencia de constituyentes bioactivos vitales. Además de las numerosas actividades antioxidantes, antimicrobianas, hipoglucemiantes, anticancerígenas y de los productos naturales, existe un reconocimiento limitado con respecto a los diversos atributos terapéuticos de las plantas medicinales como Momordica charantia, Syzygium cumini, Zingiber officinale y Parthenium hysterophorus. El estudio actual fue diseñado para explorar las capacidades inhibidoras de enzimas (alfa glucosidasa y acetilcolinesterasa) y citotóxicas de las fracciones solventes de estas plantas autóctonas. Todas las muestras tuvieron efectos inhibidores sobre la alfa glucosidasa, pero los fraccionamientos metanólicos de cada planta exhibieron una mayor eficacia inhibidora contra la acción enzimática en comparación con otros fraccionamientos. A excepción del extracto metanólico de Parthenium hysterophorus (33,25 ± 0,43), todas las demás plantas estudiadas, a saber. Zingiber officinale (50,33 ± 0,99), S. cumini (73,91 ± 1,05) y Momordica charant","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"20 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83496359","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":"Phytochemical Profile, Antioxidant and Antibacterial Activities of Artemisia absinthium L. Collected from Tunisian Regions","authors":"Nour Ksibi, M. Saada, Walid Yeddes, H. Limam, S. Tammar, W. Aidi Wannes, N. Labidi, K. Hessini, Sarra Dakhlaoui, Olfa Frouja, K. Msaada","doi":"10.29356/jmcs.v66i3.1709","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1709","url":null,"abstract":"Abstract. The aim of this comparative research was to determine the chemical composition, antioxidant and antibacterial activities of the methanolic extracts and essential oils (EOs) of Artemisia absinthium aerial parts from five different regions (Bizerte, Zaghouan, Kasserine, Gabes and Tozeur). The polyphenol and flavonoid contents significantly varied (P < 0.05) among the studied regions with maximal contents observed in Zaghouan. Based on the High Performance Liquid Chromatography results, quercetin and isorhamnetin were the main compounds and their percentages were region dependent. The methanolic extract of Zaghouan showed the highest scavenging ability of DPPH (IC50 = 31.46 ± 1.42 µg/mL). A. absinthium EOs from of the different regions were found to interestingly inhibit the growth of both Gram-negative and Gram-positive bacteria strains. The antibacterial effect was strongly related to the organoleptic EO quality. The EO of Zaghouan exhibited an important inhibitory effect with an inhibition zone estimated at 31 mm against Escherichia coli strain. The EO composition was obtained by GC-MS analysis showing the presence of thirty-five compounds. Camphor (49.70 ± 2.34 %) and chamazulene (25.41 ± 0.61 %) were the main constituents. These results suggested that the north regions have a high potential for selecting varieties rich on bioactive volatile and phenolic compounds.\u0000 \u0000Resumen. El objetivo de esta investigación fue determinar y comparar la composición química, las actividades antioxidantes y antibacterianas de los extractos metanólicos y de los aceites esenciales (AE) de las partes aéreas de Artemisia absinthium de cinco regiones (Bizerta, Zaghouan, Kasserine, Gabes y Tozeur). Los contenidos de polifenoles y flavonoides variaron significativamente (P < 0,05) entre las regiones estudiadas con contenidos máximos observados en Zaghouan. De acuerdo con los resultados de la cromatografía líquida de alta resolución, la quercetina y la isorhamnetina fueron los compuestos principales y sus porcentajes dependieron de la región. El extracto metanólico de Zaghouan mostró la mayor capacidad secuestrante de DPPH (IC50 = 31.46 ± 1.42 µg mL-1). Se descubrió que los aceites esenciales de A. absinthium de las diferentes regiones inhibían de manera interesante el crecimiento de cepas de bacterias Gram-negativas y Gram-positivas. El efecto antibacteriano estuvo fuertemente relacionado con la calidad organoléptica del AE. El AE de Zaghouan exhibió un importante efecto inhibidor con un halo de inhibición estimado en 31 mm frente a una cepa de Escherichia coli. La composición de AE se obtuvo mediante análisis GC-MS y mostró la presencia de treinta y cinco compuestos. El alcanfor (49.70 ± 2.34 %) y el camazuleno (25.41 ± 0.61 %) fueron los principales constituyentes. Estos resultados sugirieron que las regiones del norte tienen un alto potencial para seleccionar variedades ricas en compuestos bioactivos volátiles y fenólicos.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"31 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74949838","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":"Influence of Seawater Corrosion on Structure and Magnetic Properties of the SR355JR and S355J2 Carbon Steels","authors":"A. Popescu, O. Demidenko, K. Yanushkevich, C. Donath, E. Neacşu, V. Constantin","doi":"10.29356/jmcs.v66i3.1761","DOIUrl":"https://doi.org/10.29356/jmcs.v66i3.1761","url":null,"abstract":"Abstract. The corrosion behaviour of SR355JR and S355J2 carbon steels exposed to different seawaters (Black, Aegean and Mediterranean Sea) has been investigated by polarization measurements. The corresponding corrosion parameters were calculated. Micrographic images before and after immersion in the used seawaters corrosive medium were obtained. X-ray diffraction and ponderomotive methods respectively were used to determine the influence of the corrosion process on the crystal structure and specific magnetization of the studied steels.\u0000 \u0000Resumen. En este estudio se investigó el comportamiento a la corrosión de los aceros al carbono SR355JR y S355J2 expuestos a diferentes aguas marinas (Mar Negro, Mar Egeo y Mar Mediterráneo) mediante mediciones de polarización. Se calcularon los parámetros de corrosión correspondientes. Se obtuvieron imágenes micrográficas antes y después de la inmersión en el medio corrosivo de las aguas marinas utilizadas. Para determinar la influencia del proceso de corrosión en la estructura cristalina y la magnetización específica de los aceros estudiados se utilizaron los métodos de difracción de rayos X y ponderomotivos respectivamente.","PeriodicalId":17377,"journal":{"name":"Journal of the Mexican Chemical Society","volume":"194 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2022-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75584361","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}