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

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Prediction of adverse reactions to antibacterials using MODESLAB methodology 使用MODESLAB方法预测抗菌药的不良反应
Luis A. Torres-Gómez, Aghyad Hmaydoosh, M. Hernandez, J. Polo, L. Machin
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引用次数: 0
Modulating Effect of 4,6,6-trimethylbicyclo [3.1.1] hept-3-ene on Antimicrobials Used to Combat Escherichia coli 4,6,6-三甲基双环[3.1.1]庚-3-烯对大肠杆菌抗菌药物的调节作用
S. Ferreira, Felipe Lemos Esteves do Amaral, T. Farias, Siluana Benvindo Ferreira
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
Felipe Lemos Esteves do Amaral, Ticiane Costa Farias, Siluana Benvindo Ferreira, Savio Benvindo Ferreira c研究生,camina Grande联邦大学(UFCG) Cajazeiras校区教师培训中心(CFP), Paraíba,巴西兽医博士,农业国防局Piauí, Piauí,巴西。坎皮纳格兰德联邦大学(UFCG)卡哈泽拉斯校区(Paraíba,巴西. . . .)教师培训中心(CFP)生命科学学术单元博士教授图形抽象
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引用次数: 0
PTML-ANN Model for Simultaneous Prediction of Cytotoxic and Ecotoxic Effect of Nanoparticles 纳米颗粒细胞毒性和生态毒性同时预测的PTML-ANN模型
A. Speck-Planche, V. V. Kleandrova
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.
从科学文献中检索了包被和未包被纳米颗粒的细胞毒性和生态毒性作用的生物学数据。这些数据的数学处理是基于使用微扰理论(PT)算子。这使得将微扰理论概念与人工神经网络(PTML-ANN)相结合的模型得以发展。在PTML-ANN模型生成过程中未报道的新纳米颗粒被用于虚拟筛选实验。对于这些新型纳米粒子,PTML-ANN模型的预测结果与实验结果趋于一致。
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引用次数: 0
Evaluation of the in vitro production of exopolysaccharides by fluorescent Pseudomonas isolated from clay soil contaminated with hydrocarbons in the Ecuadorian Amazon. 厄瓜多尔亚马逊地区受碳氢化合物污染的粘土中分离的荧光假单胞菌体外生产外多糖的研究。
Jacqueline E. Gonzalez, S. Estrella, D. Astorga, Daniel Hidalgo, Juan A. López, P. Yañez, Jeaneth Urvina, V. Luna
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]. Four 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. Based 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
土壤是生命必不可少的自然资源,受到石油开采等经济活动的影响[1]。通过PETROAMAZONAS EP的“亚马逊现场”项目,大约100万立方米被厄瓜多尔亚马逊地区碳氢化合物污染的土壤得到了生物修复。然而,作为厄瓜多尔亚马逊河流域的特征,粘土被压实,产生水分和氧化问题,这对微生物的生长构成了不利的环境[2]。在适应机制中,胞外多糖(EPS)的产生是许多微生物在恶劣环境条件下产生的化合物。EPS可以与粘土颗粒相互作用,形成土壤的微观和宏观团聚体,从而增加保水,减少干燥[3]。准确地说,假单胞菌属的荧光细菌常见于碳氢化合物污染的土壤中,可以形成保护性生物膜,主要由EPS组成[4]。从粘土样品中分离得到4个荧光分离株,通过群体形态、紫外荧光、革兰氏染色、氧化酶和过氧化氢酶试验对其进行了表型鉴定。很快将进行API 20 NE的生化鉴定,并通过16S rRNA分析进行分子确认。利用分离物制备不同碳源的EPS。采用King B琼脂基础,加入2%碳源(甘油、葡萄糖、蔗糖和糖蜜)。在含有甘油的King B肉汁中进行非生物胁迫条件,调整为盐度(0 M、0.5 M、1.0 M和1.5 M)、pH(5、6、7和8)和温度(27°C、35°C和42°C)的胁迫条件。除温度实验外,每种分离物以0.5 McFarland浓度接种,在27°C下孵育72小时。EPS提取采用玻璃微珠,96%冷乙醇,离心。每个试验的所有处理均为3个重复。在绘制葡萄糖校准曲线后,采用改进的杜波依斯苯酚-硫酸法对EPS进行定量。根据所得结果,进行单因素方差分析(ANOVA)。分离物1和2以糖蜜为碳源产生较高的EPS,分离物3以甘油为碳源,分离物4以蔗糖为碳源。从温度上看,分离物1、3、4在27 ~ 35℃时EPS产量最大,而分离物2在42℃时EPS产量最大。从pH上看,中性和微酸性pH下EPS产量最高。最后从盐度上看,分离物1、2在0.5 M氯化钠浓度下EPS产量最高,分离物3、4在0 M氯化钠浓度下EPS产量最高。结果表明,EPS的生产受碳源和环境条件的影响。至少在非生物胁迫条件下EPS生产性能最好。这些变化代表了细菌对非生物胁迫条件的适应性变化。它们的耐受性取决于这样一个事实,即这些微生物可以用于改善粘土结构,有利于亚马逊地区的生物修复过程。
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引用次数: 0
Modeling aqueous solubility of druglike organic compounds in strongly acidic medium 模拟类药物有机化合物在强酸性介质中的水溶性
L. Machin, Yeiny Cabrera, J. Polo, L. Torres
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引用次数: 0
Gas Chromatography aided Mass Spectral Fingerprinting of Volatile Phytoconstituents from Torilis leptophylla Roots 气相色谱辅助质谱指纹图谱分析薄荷叶根挥发性成分
M. Farman, N. Nasreen, N. Semmar, Saud Ahmad
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.
Torilis leptophyla通常被称为猪鬃果篱欧芹,因其治疗肝脏和胃肠道疾病的潜力而被广泛认可。直到今天,还没有科学证据支持这一说法。因此,本研究旨在全面全面地了解薄缕草的挥发性成分。联用色谱分析显示,正己烷提取物中有11种挥发性有机化合物,氯仿提取物中有5种。鉴定出的化合物属于不同的类别,包括萜烯、酯类、酚类、碳氢化合物和醇类。在醇类中,镰镰醇被发现是一种新的抗真菌剂,以前没有在鸢尾属中报道过。这些分析/结构化学调查突出了与使用这种植物作为治疗各种传染病的民间药物有关的第一种代谢模式。此外,他们还确认了植物化学物质的代谢库在药物发现和开发中可以发挥重要作用。
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引用次数: 0
Models to Predict pH–dependent Aqueous Solubility of Chemically Diverse Druglike Compounds 预测化学上不同的类药物化合物的ph依赖性溶解度的模型
L. Machin, Greter León, J. Polo, L. Torres
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引用次数: 0
PANELFIT’s Official Newsletter, H2020, Europe Commission Project, Number 01 , May, 2019. PANELFIT的官方通讯,H2020,欧盟委员会项目,01号,2019年5月。
A. Duardo-Sánchez, Jorge Albercio
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引用次数: 0
PANELFIT’s Official Newsletter, H2020, Europe Commission Project, Number 02 , July, 2019. PANELFIT官方通讯,H2020,欧盟委员会项目,第02号,2019年7月。
A. Duardo-Sánchez, Jorge Albercio
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引用次数: 0
Comprehensive study of a Thithonia diversifolia material using mathematical modeling 利用数学模型对一种柳叶竹材料进行综合研究
V. Torres, T. Vázquez
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.
本研究的总体目的是描述植物材料的组成形态行为的Tithonia多样性。在这种情况下,使用统计标准进行建模,选择最适合的模型。通过调整不同的线性和非线性模型,了解了古巴格拉玛省雨季和旱季采苗高(cm)、百片重(g MV)、植株总重(绿物质,g)和线性米总重(g绿物质)的变化规律。数据在Statistical Infostat(2001)和IBM - SPSS (V22)软件中处理。雨季1 m苗高和重符合线性模型,在第18周达到最大值,分别为174.98 cm和4927.3 g。在第14周将100张MV的重量调整为二次模型,其值为220.59 g。另一方面,植株总重在第18周继续增加,达到109.70 g (este valor no重合前)。在旱季,各变量对指数模型有显著的调整,在前3次测量中表现出缓慢的行为,从第10周到第18周增加。其中,100片绿叶的重量在第18周增加到300 g以上。最后,本文首次报道了在古巴东部地区的叶阔叶树生长情况。
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Proceedings of MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition
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