Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition最新文献

{"title":"Prediction of adverse reactions to antibacterials using MODESLAB methodology","authors":"Luis A. Torres-Gómez, Aghyad Hmaydoosh, M. Hernandez, J. Polo, L. Machin","doi":"10.3390/mol2net-05-06272","DOIUrl":"https://doi.org/10.3390/mol2net-05-06272","url":null,"abstract":"","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"60 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123579269","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}

{"title":"Modulating Effect of 4,6,6-trimethylbicyclo [3.1.1] hept-3-ene on Antimicrobials Used to Combat Escherichia coli","authors":"S. Ferreira, Felipe Lemos Esteves do Amaral, T. Farias, Siluana Benvindo Ferreira","doi":"10.3390/mol2net-05-06271","DOIUrl":"https://doi.org/10.3390/mol2net-05-06271","url":null,"abstract":"Felipe Lemos Esteves do Amaral , Ticiane Costa Farias , Siluana Benvindo Ferreira , Savio Benvindo Ferreira c Graduate Student, Center for Teacher Training (CFP), Federal University of Campina Grande (UFCG), Cajazeiras campus, Paraíba, Brazil PhD in Veterinary Medicine, Agricultural Defense Agency of Piauí, Piauí, Brazil. PhD Professor of the Academic Unit of Life Sciences, Center for Teacher Training (CFP), Federal University of Campina Grande (UFCG), Cajazeiras campus, Paraíba, Brazil. . . . Graphical Abstract","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"37 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132761057","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}

{"title":"PTML-ANN Model for Simultaneous Prediction of Cytotoxic and Ecotoxic Effect of Nanoparticles","authors":"A. Speck-Planche, V. V. Kleandrova","doi":"10.3390/mol2net-05-06270","DOIUrl":"https://doi.org/10.3390/mol2net-05-06270","url":null,"abstract":"Biological data on the cytotoxic and the ecotoxic effects of coated and uncoated nanoparticles were retrieved from the scientific literature. The mathematical treatment of these data was based on the use of perturbation theory (PT) operators. This enabled the development of a model that combined perturbation theory concepts with artificial neural networks (PTML-ANN). New nanoparticles not reported during the generation of the PTML-ANN model were used in a virtual screening experiment. For these new nanoparticles, the predictions performed by the PTML-ANN model converged with the experimental results.","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"232 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116157327","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}

{"title":"Evaluation of the in vitro production of exopolysaccharides by fluorescent Pseudomonas isolated from clay soil contaminated with hydrocarbons in the Ecuadorian Amazon.","authors":"Jacqueline E. Gonzalez, S. Estrella, D. Astorga, Daniel Hidalgo, Juan A. López, P. Yañez, Jeaneth Urvina, V. Luna","doi":"10.3390/mol2net-05-06269","DOIUrl":"https://doi.org/10.3390/mol2net-05-06269","url":null,"abstract":"Soil is an essential natural resource for life, which has been affected by economic activities such as oil exploitation [1]. Around one million cubic meters of soil contaminated with hydrocarbons from the Ecuadorian Amazon has been bioremediated through the “Amazon Live” Project of PETROAMAZONAS EP. However, the clay soil, characteristic of the Ecuadorian Amazon, is compacted and generates moisture and oxygenation problems, which constitutes an adverse environment for the development of microorganisms [2]. Among the adaptive mechanisms are the production of exopolysaccharides (EPS), compounds generated by many microorganisms in response to hostile environmental conditions. The EPS can interact with clay particles to form micro and macro-aggregates of soil and, therefore, increases water retention and reduces desiccation [3]. Precisely, fluorescent bacteria of the genus Pseudomonas are commonly found in soils contaminated with hydrocarbons and can form protective biofilms, mostly composed of EPS [4]. \u0000Four fluorescent isolates were recovered from clay soil samples, which were phenotypically characterized by colonial morphology, fluorescence under UV light, Gram staining and oxidase and catalase tests. Soon, biochemical identification with API 20 NE will be carried out, and molecular confirmation through the analysis of 16S rRNA. The isolates were used to produce EPS with different carbon sources. A King B Agar base was used and the 2% carbon source (glycerol, glucose, sucrose and molasses) was added. The abiotic stress conditions were carried out in King B broth with glycerol and adjusted to the respective stress conditions: salinity (0 M, 0.5 M, 1.0 M and 1.5 M), pH (5, 6, 7 and 8) and temperature (27 ° C, 35 ° C and 42 ° C). A 0.5 McFarland concentration of each isolate was inoculated and incubated for 72 hours at 27 ° C, except in the temperature experiment. EPS extraction was performed with glass beads, 96% cold ethanol and centrifugation. All treatments of each experiment were performed in triplicate. The quantification of EPS was carried out by the modified phenol-sulfuric acid method of Dubois, after performing a glucose calibration curve. \u0000Based on the results obtained, a one-way analysis of variance (ANOVA) was performed. Isolates 1 and 2 produced a higher amount of EPS with molasses, isolate 3 with glycerol and isolate 4 with sucrose as a carbon source. In terms of temperature, isolates 1, 3 and 4 produced a greater amount of EPS between 27-35 ° C, while isolate 2 at 42 ° C. According to the pH, the best production was observed at a neutral and slightly acidic pH. Finally, regarding salinity, it was observed that isolate 1 and 2 produced a higher amount of EPS at a concentration of 0.5 M sodium chloride, and isolate 3 and 4 with 0 M sodium chloride. The results show that EPS production is influenced by the source of carbon and environmental conditions. The best performance in EPS production is obtained at least under an abiotic stress co","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124935475","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}

{"title":"Modeling aqueous solubility of druglike organic compounds in strongly acidic medium","authors":"L. Machin, Yeiny Cabrera, J. Polo, L. Torres","doi":"10.3390/mol2net-05-06268","DOIUrl":"https://doi.org/10.3390/mol2net-05-06268","url":null,"abstract":"","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131077922","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}

{"title":"Gas Chromatography aided Mass Spectral Fingerprinting of Volatile Phytoconstituents from Torilis leptophylla Roots","authors":"M. Farman, N. Nasreen, N. Semmar, Saud Ahmad","doi":"10.3390/mol2net-05-06267","DOIUrl":"https://doi.org/10.3390/mol2net-05-06267","url":null,"abstract":"Torilis leptophylla commonly known as bristle fruit hedge parsley is widely acknowledged for its potential to treat liver and gastrointestinal disorders. Till today no scientific evidence has been reported to support this claim. So the present investigation was carried out to get an inclusive picture of volatile phytoconstituents of Torilis leptophylla. Hyphenated chromatographic technique revealed the presence of 11 VOC’s from n-Hexane extract and 5 from chloroform extract. Identified compounds belonged to different classes including terpenes, esters, phenols, hydrocarbons and alcohols. Among alcohols, falcarinol was revealed to be a de-novo antifungal agent not previously reported in the genus Torilis. These analytical/structural chemical investigations highlighted a first metabolic pattern associated with the use of this plant as a folk medicine for the cure of various infectious diseases. Moreover, they ratified that the metabolic pool of phytochemicals can play a noteworthy role in drug discovery and development.","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132052866","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}

{"title":"Models to Predict pH–dependent Aqueous Solubility of Chemically Diverse Druglike Compounds","authors":"L. Machin, Greter León, J. Polo, L. Torres","doi":"10.3390/mol2net-05-06266","DOIUrl":"https://doi.org/10.3390/mol2net-05-06266","url":null,"abstract":"","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130901658","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}

{"title":"PANELFIT’s Official Newsletter, H2020, Europe Commission Project, Number 01 , May, 2019.","authors":"A. Duardo-Sánchez, Jorge Albercio","doi":"10.3390/mol2net-05-06264","DOIUrl":"https://doi.org/10.3390/mol2net-05-06264","url":null,"abstract":"","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"50 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132324742","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}

{"title":"PANELFIT’s Official Newsletter, H2020, Europe Commission Project, Number 02 , July, 2019.","authors":"A. Duardo-Sánchez, Jorge Albercio","doi":"10.3390/mol2net-05-06265","DOIUrl":"https://doi.org/10.3390/mol2net-05-06265","url":null,"abstract":"","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128306269","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}

{"title":"Comprehensive study of a Thithonia diversifolia material using mathematical modeling","authors":"V. Torres, T. Vázquez","doi":"10.3390/mol2net-05-06262","DOIUrl":"https://doi.org/10.3390/mol2net-05-06262","url":null,"abstract":"The overall purpose of the study was describing of the component morphological behaviour of the vegetal material as Tithonia diversifolia. In this case, it was used statistical criteria for modelling, where best-fit models were selected. Different linear and non-linear models were adjusted to know the variable behavior of seedling height (cm), 100 sheet weight (g MV), total weight of plant (green matter, g) and total weight of a linear meter (g green matter), which were taken during the rainy and dry seasons in the Granma province from Cuba. The data were processed in the softwares Statistical Infostat (2001) and IBM - SPSS (V22). In the rainy season, height and weight of 1 m seedlings fitted the linear model, where higher values were reached at the 18th weeks with 174.98 cm and 4927.3 g, respectively. Moreover, weight of 100 sheets MV was adjusted to the quadratic model with a value of 220.59 g at 14th weeks. On the other hand, total weight of plant continued to increase at 18th weeks, reaching 109.70 g. (este valor no coincide con lo anterior) In the dry season, the variables presented significant adjustments for the exponential model and expressed slow behavior during the first three measurements, increasing from 10th to 18th week. Where, the weight of 100 green leaves increased to values above 300 g at 18th week. Last of all, this article reports for the first time about the growth of T. diversifolia in the eastern part of Cuba.","PeriodicalId":337320,"journal":{"name":"Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition","volume":"89 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128276546","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}