Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition最新文献_第4页

Project Portfolio Optimization under Temporal Constraints with uncertainty 不确定时间约束下的项目组合优化

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/MOL2NET-04-06111

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":null,"pages":null},"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}

引用次数: 0

Characterization of a novel protease from Anoxybacillus kamchatkensis strain M1V with biotechnological interest 堪察肯氏无氧杆菌M1V新型蛋白酶的生物技术研究

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-03 DOI: 10.3390/MOL2NET-04-06109

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":null,"pages":null},"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}

引用次数: 1

A novel detergent-stable protease from Penicillium chrysogenium X5 and its utility in textile fibres processing 一种来自青霉菌的新型耐洗涤蛋白酶及其在纺织纤维加工中的应用

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-03 DOI: 10.3390/mol2net-04-06110

Maroua Omrane, Emna Moujehed, Mouna Ben Elhoul, Sondes Mechri, S. Bejar, Riadh Zouari, A. Baffoun, B. Jaouadi

{"title":"A novel detergent-stable protease from Penicillium chrysogenium X5 and its utility in textile fibres processing","authors":"Maroua Omrane, Emna Moujehed, Mouna Ben Elhoul, Sondes Mechri, S. Bejar, Riadh Zouari, A. Baffoun, B. Jaouadi","doi":"10.3390/mol2net-04-06110","DOIUrl":"https://doi.org/10.3390/mol2net-04-06110","url":null,"abstract":"The consumption of energy and raw-materials, as well as increased awareness of environmental concerns related to the use and disposal of chemicals into landfills, water or release into the air during chemical processing of textiles are the principal reasons for the application of enzymes in finishing of textile materials. The aim of this study is to isolate a new fungi protease, with excellent proprieties in order to be used as a bio-additive in detergent formulation with any destructive effect on textile supports. SAPTEX is a new extracellular thermostable serine alkaline protease (designed as SAPTEX) was purified to homogeneity and biochemically characterized from Penicillium chrysogenium strain X5 as a monomer with 43 kDa. The experimental purification protocol comprises three steps: heat treatment optimized by experimental design followed by an ammonium sulfate precipitation, and a FPLC/UNO Q-12 anion exchange chromatography. The optimum pH and temperature values for protease activity were pH 10 and 80°C, respectively. According to morphological, physico-chemical, and metrological evaluation, SAPTEX has no destructive impact on fibers after the enzyme treatment and a very slight effect on textile support. Data suggested that SAPTEX may be considered a potential candidate as a protein stain removal product from textile supports.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85256753","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}

引用次数: 1

Deep Learning Applications 深度学习应用

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-29 DOI: 10.3390/MOL2NET-04-06107

C. Munteanu

{"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":null,"pages":null},"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}

引用次数: 32

Screening of the Binding Trajectories of Inhibitors via Tunnels using Novel Software CaverDock 利用新型软件CaverDock筛选抑制剂通过隧道的结合轨迹

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-29 DOI: 10.3390/mol2net-04-06108

Gaspar P. Pinto, O. Vávra, Piia Kokkonen, J. Filipovič, Adam Jurcík, D. Bednář, B. Kozlíková, J. Damborský

引用次数: 0

PHYTOCHEMICAL AND PHARMACOLOGICAL EVALUATION OF ANTI- AMNESIC EFFECT OF MORUS ALBA LINN IN WISTAR RATS 桑叶提取物对wistar大鼠抗遗忘作用的植物化学和药理学评价

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-28 DOI: 10.3390/MOL2NET-04-06106

HemanthKumar B, Prathibha R, M. R, Aswini S, Sai priya R, S. R, Vasudha B

引用次数: 0

Cryptosporidium spp. prevalence in sheep from commercial sites in the State of Mexico, Mexico during Summer. 墨西哥墨西哥州夏季商业场所羊中隐孢子虫的流行情况。

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-23 DOI: 10.3390/MOL2NET-04-06105

M. U. Alonso-Fresán, Maria de Lourdes Ordoñez-Sánchez, A. Barbabosa‐Pliego, B. Valladares-Carranza, V. Velázquez-Ordoñez

引用次数: 0

Estimating pKa shifts of encapsulated drugs through a CpHMD approach. 通过CpHMD方法估计包封药物的pKa位移。

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-22 DOI: 10.3390/mol2net-04-06104

Diogo Reis, M. Machuqueiro, Diogo Vila-Viçosa

{"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":null,"pages":null},"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}

引用次数: 0

EVALUATION OF AGROINDUSTRIAL RESIDUES OF THE SIERRA AND AMAZONIA IN THE OBTAINING OF MUSHROOMS Pleurotus ostreatus var. Florida. 山、亚马逊地区农用残留物在蘑菇生产中的评价。

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-22 DOI: 10.3390/MOL2NET-04-06102

Julia Escobar, M. Álvarez

引用次数: 0

Structural insight on the Hsp90-binding modes of Naphthoquinone derivatives. Molecular Modeling study for antitumoral drug design 萘醌类衍生物hsp90结合模式的结构分析。抗肿瘤药物设计的分子模型研究

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-22 DOI: 10.3390/MOL2NET-04-06099

Claudio Godoy-Castillo, Jorge González, J. Soto-Delgado

{"title":"Structural insight on the Hsp90-binding modes of Naphthoquinone derivatives. Molecular Modeling study for antitumoral drug design","authors":"Claudio Godoy-Castillo, Jorge González, J. Soto-Delgado","doi":"10.3390/MOL2NET-04-06099","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06099","url":null,"abstract":"Heat shock proteins (HSPs) constitute a large family of proteins involved in protein folding and maturation whose expression is induced by heat shock or other stressors. HSPs play important roles in carcinogenesis via the regulation of angiogenesis, cell proliferation, migration, invasion, and metastasis. One of the most attractive targets for novel antitumor agents during recent years is the Heat shock proteins 90 (Hsp90), which is an essential molecular chaperone and it is responsible for the folding and maturation of nascent proteins.1 In this context, inhibition of Hsp90 has potential to disrupt multiple oncogenic pathways by an indirect attack on critical proteins and has become an attractive target for cancer therapy.2 This work aims to develop of new molecules based on quinone scaffold due that quinones derivatives have demonstrated potent anti-proliferative activity against estrogen-dependent cancers cell, as well as, induce the degradation of oncogenic Hsp90 client proteins. The set of 35 molecules reported by Blagg et al.3 were studied based in a hybrid strategy including Molecular Docking, Molecular Dynamics and 3D-QSAR analysis to identify the most relevant ligand-receptor interactions.4 The Correlation between the free energy of binding and binding modes for nafthoquinones derivatives are discussed. These results provide a new insight into protein–ligand interactions into the Hsp90, in addition, the analysis of the contour maps derived for 3D-QSAR provide helpful way about the rational modification of molecules in order to design more potent Hsp90 inhibitors.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85453007","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}

引用次数: 0