Gerardo J. Martí-Chillón, A. Luis, Mónica Díez-Díaz, J. Gavilá, J. R. García-March, José Tena Medialdea, F. Codoñer
{"title":"Challenges for implementing Next Generation Sequencing (NGS) of benthic macrofauna challenges, in the evaluation of marine environmental quality","authors":"Gerardo J. Martí-Chillón, A. Luis, Mónica Díez-Díaz, J. Gavilá, J. R. García-March, José Tena Medialdea, F. Codoñer","doi":"10.3390/MOL2NET-04-06112","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06112","url":null,"abstract":"The Water Framework Directive 2000/60/EC regulates the environmental diagnosis of the marine ecosystem, including the evaluation of species of bioindicator macroinvertebrates present in the environment. To date, these types of determinations are carried out through the morphotaxonomic identification of the benthic macrofauna present in the samples and the calculation of associated biotic indexes, a process that is time-consuming and resource-intensive, being in some cases inaccurate due to the requirement of highly specialized human resources and the difficulty of correctly identifying certain species. In this respect, DNA barcoding techniques allow the reliable identification of organisms using DNA sequencing techniques and avoiding the disadvantages of morphotaxonomic identification. On the other hand, the recent development of New Generation DNA Sequencing techniques (NGS) has allowed the development of DNA metabarcoding, i.e. the characterization of populations of organisms present in a sample using genomic data. This paper shows the fundamental challenges to be overcome in order to establish a NGS sequencing-based assessment of the marine environmental quality.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85348426","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}
L. Daoud, A. H. Brahim, Houda Hmani, A. Akremi, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali
{"title":"Salicola sp. strain SBJ9: a novel extremely halophilic bacterium with an interesting protease activity","authors":"L. Daoud, A. H. Brahim, Houda Hmani, A. Akremi, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali","doi":"10.3390/mol2net-04-06115","DOIUrl":"https://doi.org/10.3390/mol2net-04-06115","url":null,"abstract":"A number of newly isolated halophilic microorganisms were screened for protease production. A bacterium designated as strain SBJ9 showed an important enzyme production at high salt concentrations and was then retained. The 16S DNA identification put this strain in the genus of Salicola with two reference species only. Protease production was higher at salinities ranging from 150 to 200 g/l (3.2 M) NaCl, when monitored at 35 °C and pH 7. The protease activity was optimal at 2.5 M NaCl, 40°C and pH 8, with high stability at wide ranges of salinity (1-5 M NaCl), temperatures (2070 °C) and pH values (511). It was slightly improved by 5 mM CaCl2 and totally inhibited by PMSF which indicated the dominance of serine proteases. Besides, it was perfectly stable in the presence of many detergent additives and organic solvents at high concentrations. These important features make Salicola sp. strain SBJ9 protease activity a good candidate for many industrial applications such as detergency and organic synthesis.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"14 3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90236063","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}
Nelson Rangel-Valdez, Fausto Balderas-Jaramillo, E. Fernández, Claudia Gómez-Santillán, L. Cruz-Reyes
{"title":"Project Portfolio Optimization under Temporal Constraints with uncertainty","authors":"Nelson Rangel-Valdez, Fausto Balderas-Jaramillo, E. Fernández, Claudia Gómez-Santillán, L. Cruz-Reyes","doi":"10.3390/MOL2NET-04-06111","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06111","url":null,"abstract":"The definition of more realistic scenarios of instances for the Project Portfolio Optimization (PPO) of new product developments usually should involve precedence relations that generate effects related to time-interdependence among different projects. The study of time -interdependences, or time effects, on the selection of projects captures our attention because they affect the problem objective functions. Three different moments have been identified as usually present in any project: 1) the estimated completion time; 2) the moment in which the competence become significant; and, 3) the moment in which the developed product becomes old. A PPO under such temporal constraints (denoted PPOTC) could face risk because the lack of reliable data derived from long lead times of projects, or by a complex market and technology dynamics; such imperfect knowledge could cause variability in the benefits and requirements of a PPOTC. In this sense, this research proposes the design of a methodology based on intervals for PPOTC under uncertainty, and the study of their influence in choosing optimal project portfolios of new product developments. The advantage of this approach is a unified and simple way to model the different sources of imprecision, uncertainty and arbitrariness. Also, the model is parametrized such that the attitude of the DM facing the imperfect knowledge can be adjusted by using two meaningful parameters.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81493528","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}
Sondes Mechri, B. Jaouadi, Khelifa Bouacem, Nadia Zaraî Jaouadi, Hatem Rekik, Mouna Ben Elhoul, M. Benmrad, H. Hacène, S. Bejar, A. Bouanane-Darenfed
{"title":"Characterization of a novel protease from Anoxybacillus kamchatkensis strain M1V with biotechnological interest","authors":"Sondes Mechri, B. Jaouadi, Khelifa Bouacem, Nadia Zaraî Jaouadi, Hatem Rekik, Mouna Ben Elhoul, M. Benmrad, H. Hacène, S. Bejar, A. Bouanane-Darenfed","doi":"10.3390/MOL2NET-04-06109","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06109","url":null,"abstract":": A total of 5 proteolytic thermphiles bacteria were isolated from Hammam Righa hot spring in Algeria. Strain M1V was selected as the best producer of an extracellular protease, called SAPA, and was used for further studies. Sequence analysis of the 16S rRNA gene in addition to phenotypic tests led to the placement of this organism in the genus Anoxybacillus and species of kamchatkensis . Maximal protease production was detected after 48 h of incubation at 45 °C. This SAPA protease was purified and biochemically characterized, showing optimal activity at 70 °C, pH 11, and high levels of hydrolysis, substrate specificity, and catalytic efficiency than purified and commercial proteases. The protease activity was strongly inhibited by phenylmethanesulfonyl fluoride (PMSF), and diiodopropyl fluorophosphates (DFP). SAPA has a molecular mass of 28 kDa, and the N-terminal amino acid sequence determined showed similarity to serine proteases previously described.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91377897","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":"Deep Learning Applications","authors":"C. Munteanu","doi":"10.3390/MOL2NET-04-06107","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06107","url":null,"abstract":"The manuscript presents three of my deep learning projects: mDL-ArtTranfer – Deep Learning Art Transfer using Multiple AIs (https://github.com/muntisa/mDL-ArtTransfer), CNN4Polyps - Colonoscopy polyp detection with Convolutional Neural Networks (https://github.com/muntisa/Colonoscopy-polyps-detection-with-CNNs), Deep-Politics - Prediction of Spanish Political Affinity with Deep Neural Nets: Socialist vs People's Party (PSOE vs PP, https://github.com/muntisa/Deep-Politics). \u0000mDL-ArtTranfer is a mix of adapted scripts using three AI algorithms from fchollet, anishathalye, and ShafeenTejani (GitHub users). Thus, using content images and style pictures, three versions of art transfer will be apply with only one single call. \u0000CNN4Polyps represents the first open GitHub repository for polyp detection and localization into colonoscopy images. The use of small CNNs with 2-3 convolutions, in only 2 minutes with GPU Nvidia Titan Xp, will generate a model with of 92%. The VGG16 transfer learning is no improving this accuracy. The fine tuning of the last convolutional block and the full connected layer of the pre-trained Imagenet VGG16 will generate an accuracy over 98%. \u0000Deep-Politics is using the politician’s portrait to predict the affinity for two political parties in Spain. Both small CNNs with augmented data and VGG16 transfer learning without data augmentation can generate models with accuracy over 80%. The VGG16 fine tuning of the last two convolutional blocks and the full connected layer will raise the accuracy to 85%.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83886270","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}
Gaspar P. Pinto, O. Vávra, Piia Kokkonen, J. Filipovič, Adam Jurcík, D. Bednář, B. Kozlíková, J. Damborský
{"title":"Screening of the Binding Trajectories of Inhibitors via Tunnels using Novel Software CaverDock","authors":"Gaspar P. Pinto, O. Vávra, Piia Kokkonen, J. Filipovič, Adam Jurcík, D. Bednář, B. Kozlíková, J. Damborský","doi":"10.3390/mol2net-04-06108","DOIUrl":"https://doi.org/10.3390/mol2net-04-06108","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89474574","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}
HemanthKumar B, Prathibha R, M. R, Aswini S, Sai priya R, S. R, Vasudha B
{"title":"PHYTOCHEMICAL AND PHARMACOLOGICAL EVALUATION OF ANTI- AMNESIC EFFECT OF MORUS ALBA LINN IN WISTAR RATS","authors":"HemanthKumar B, Prathibha R, M. R, Aswini S, Sai priya R, S. R, Vasudha B","doi":"10.3390/MOL2NET-04-06106","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06106","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"183 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74641843","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. U. Alonso-Fresán, Maria de Lourdes Ordoñez-Sánchez, A. Barbabosa‐Pliego, B. Valladares-Carranza, V. Velázquez-Ordoñez
{"title":"Cryptosporidium spp. prevalence in sheep from commercial sites in the State of Mexico, Mexico during Summer.","authors":"M. U. Alonso-Fresán, Maria de Lourdes Ordoñez-Sánchez, A. Barbabosa‐Pliego, B. Valladares-Carranza, V. Velázquez-Ordoñez","doi":"10.3390/MOL2NET-04-06105","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06105","url":null,"abstract":"Cryptosporidium is an intracellular protozoan described since 1907 by Tyzzer. Cryptosporidiosis is a cosmopolitan disease, whose incidence is higher in summer and rainy season. The objective of this research was to report the prevalence of Cryptosporidium spp. in sheep from 4 commercial sites in 3 Municipalities in the State of Mexico, Mexico in summer. 200 stool samples were taken from pregnant, non-pregnant and nursing ewes and lambs under one year old. All sheep were clinically healthy. A general prevalence of 61% was observed. Texcaltitlan had the highest prevalence (70%). Ewes (63 %) had higher prevalence than lambs (55%). Nursing ewes showed the highest prevalence (67%), which represents a high risk for lambs.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72742241","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":"Estimating pKa shifts of encapsulated drugs through a CpHMD approach.","authors":"Diogo Reis, M. Machuqueiro, Diogo Vila-Viçosa","doi":"10.3390/mol2net-04-06104","DOIUrl":"https://doi.org/10.3390/mol2net-04-06104","url":null,"abstract":"Molecular machines have recently been associated with the development of molecular carriers to enhance drug properties, such as solubility or bioavailability. One possible approach is through drug encapsulation by a host molecule, such as cucurbituril (CB) rings, which modifies the environment of the guest molecule. CB rings are able to encapsulate guest molecules providing a hydrophobic cavity and several carbonyl groups that stabilize cationic hosts that interact with this region. This results in significant pKa shifts for drugs with titrable (cationic) groups that can be exploited in order to improve drug bioavailability, whether by enhancing their solubility, stabilizing their active form or by protecting them against external agents. The aforementioned approach can be used for medical targeting, such as cancer therapy, by designing carriers that deliver guest molecules at specific conditions, knowing the specific target properties [1]. Computational tools are a powerful way to help the rational design of CB-guest complexes. In particular, the stochastic titration constant-pH MD (CpHMD) method allows a molecular dynamics simulation to have the pH value as an external parameter and, consequently, obtain full titration curves and pKa values. Our main goal is to develop a strategy to model benzimidazole (BZ) pKa shifts, a «proof-of-concept» molecule, and then extrapolate this process to other host-guest complexes. BZ has a well-known shift of ~3.5 pKa units when encapsulated by a CB ring and, with a CpHMD method, it is possible to elucidate the molecular details of these host-guest interactions.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83594155","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 AGROINDUSTRIAL RESIDUES OF THE SIERRA AND AMAZONIA IN THE OBTAINING OF MUSHROOMS Pleurotus ostreatus var. Florida.","authors":"Julia Escobar, M. Álvarez","doi":"10.3390/MOL2NET-04-06102","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06102","url":null,"abstract":"The production and consumption of mushrooms of the genus Pleurotus in the present day has grown due to the fact they are a source of nutrients, are developed in a short time, and because of the diversity of substrates used in cultivation. The objective of the following work is to determine the best alternative of substrate for the cultivation of the mushroom Pleurotus ostreatus in agroindustrial waste of the sierra and the Ecuadorian Amazon (barley straw, wheat straw, bean peel, sugar cane bagasse, maize waste) in an individual form. An experimental design of a factor was used and variables were evaluated statistically such as the yield, the biological efficiency, precocity and the growth speed. The results statistically obtained indicate the barley straw as the best treatment, with a performance of 21.08%, biological efficiency of 84.83%, precocity of 18.6 days, growth speed of 5 days, pileus diameter of 4.9-5.9 cm, and protein content of 3.08%.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82264817","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}