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2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)最新文献

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DFT investigation of the reaction of cyanidin with hydroxyl radical 花青素与羟基自由基反应的DFT研究
D. Milenkovic, J. M. Markovic, Z. Marković
Cyanidin, as one important plant pigment, was theoretically (at M05-2X/6-311+G(d, p) level of theory) investigated for its ability to scavenge potentially, highly damaging hydroxyl radical. The applied method successfully reproduces the bond dissociation enthalpy (BDE), the ionization potential (IP) and proton affinity (PA). The HAT mechanism is most favorable reaction pathway for antioxidative action of cyanidin in the gas phase. On the other hand, the SPLET mechanism is most favorable reaction pathway for antioxidative action of cyanidin in the aqueous phase. Mechanistic investigations of antioxidative action of cyanidin in reaction with the hydroxyl radical confirmed that HAT is the dominant reaction pathway in the gas phase, and that the 4' position is most reactive.
花青素作为一种重要的植物色素,在理论上(在M05-2X/6-311+G(d, p)水平上)研究了其清除潜在的、高度有害的羟基自由基的能力。所应用的方法成功地再现了键解离焓(BDE)、电离势(IP)和质子亲和力(PA)。HAT机制是花青素气相抗氧化最有利的反应途径。另一方面,SPLET机制是花青素在水相中最有利的抗氧化反应途径。花青素与羟基自由基反应的抗氧化机理研究证实,在气相中,HAT是主要的反应途径,且4′位置反应最活跃。
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引用次数: 1
Novel calcium silicate based dental material with the addition of biologically active soy compound 添加生物活性大豆化合物的新型硅酸钙基牙科材料
Djordje Antonijević, K. Zelic, M. Djuric
Calcium silicate cements (CSC) present numerous properties that favor its use in dentistry. The purpose of this study was to investigate how the addition of soy extract affects porosity and wettability of the CSC. Soy was added to commercially available CSC named Portland cement (Italcementi, Spa Bergamo, Italy) at 10 weight % Pure Portland cement was used as a control material. Particle cement size was determined using scanning electron microscopy (TESCAN Mira3 XMU, USA Inc). Porosity of the cement was measured using micro computed tomography (μCT) (Skyscan 1172, Bruker, Belgium) at 10 μm isotropic resolution. Wettability of the cements was tested using contact angle analyzer and Endomethasone (Saint Maur, Cedex, France). Scanning electron microscopy has shown that Portland cement is composed of spherical and rods like particles ranging in size from 1 μm to 10 μm. The μCT analysis revealed that the addition of soy leads to an increased cement's porosity. Both open and closed porosity values were higher in Portland cement with soy addition than in pure Portland cement. More than 70% of pores were in the range of 20-57 μm in both investigated groups. The addition of soy resulted in lower contact angles of Endomethasone on the cement surface, suggesting that this cement formulation possesses superior wettability. It can be deduced that soy is a promising candidate for Portland cement adhesive properties improvements.
硅酸钙胶合剂(CSC)具有许多特性,有利于其在牙科中的应用。本研究的目的是探讨大豆提取物的加入如何影响CSC的孔隙度和润湿性。大豆以10%的重量添加到商用CSC波特兰水泥(Italcementi, Spa Bergamo, Italy)中,纯波特兰水泥作为对照材料。采用扫描电子显微镜(TESCAN Mira3 XMU, USA Inc)测定水泥颗粒尺寸。采用微计算机断层扫描(μCT) (Skyscan 1172, Bruker, Belgium)在10 μm各向同性分辨率下测量水泥的孔隙度。使用接触角分析仪和endomemethasone (Saint Maur, Cedex, France)测试水泥的润湿性。扫描电镜结果表明,硅酸盐水泥由1 μm ~ 10 μm的球形和棒状颗粒组成。μCT分析结果表明,大豆的加入导致水泥孔隙度增大。掺入大豆的硅酸盐水泥的开孔率和闭孔率均高于纯硅酸盐水泥。两组孔隙在20 ~ 57 μm范围内的占比均超过70%。大豆的加入降低了内多米松在水泥表面的接触角,表明该水泥配方具有优越的润湿性。由此可以推断,大豆是改善硅酸盐水泥胶粘剂性能的有希望的候选材料。
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引用次数: 1
Role of computer analysis in prediction of surgical outcome after Billroth II gastric resection 计算机分析在Billroth II型胃切除术后预后预测中的作用
A. Cvetkovic, D. Milasinovic, N. Filipovic, D. Canovic
This paper presents computer analysis of how geometry of reconstructed gastrointestinal tract can influence outcome of Billroth II gastric resection. We performed three-dimensional computer simulation in order to predict duodenal stump blowout. For creation of initial three dimensional FE models of preoperative gastroduodenal region we used data from Multi Slice Computer Tomography (MSCT). Using the initial model we performed virtual gastric surgery. All post operational models were examined separately in order to find correlation between post operational geometry and pressure in duodenal stump. Data acquired by methodology presented in this study can be valuable to surgeons for prediction of suture dehiscence after gastric surgery.
本文介绍了重建胃肠道几何形状对Billroth II型胃切除术结果的影响。为了预测十二指肠残端爆裂,我们进行了三维计算机模拟。为了建立术前胃十二指肠区域的初始三维有限元模型,我们使用了多层计算机断层扫描(MSCT)的数据。使用初始模型,我们进行了虚拟胃手术。所有术后模型分别进行检查,以发现术后几何形状和十二指肠残端压力之间的相关性。本研究中提出的方法所获得的数据对外科医生预测胃手术后缝合线破裂有价值。
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引用次数: 0
Prediction of influenza outbreaks by integrating Wikipedia article access logs and Google flu trend data 通过整合维基百科文章访问日志和谷歌流感趋势数据预测流感爆发
Batuhan Bardak, Mehmet Tan
Prediction of influenza outbreaks is of utmost importance for health practitioners, officers and people. After the increasing usage of internet, it became easier and more valuable to fetch and process internet search query data. There are two significant platforms that people widely use, Google and Wikipedia. In both platforms, access logs are available which means that we can see how often any query/article was searched. Google has its own web service for monitoring and forecasting influenza-illness which is called the Google Flu Trends. It provides estimates of influenza activity for some countries. The second alternative is Wikipedia access logs which provide the number of visits for the articles on Wikipedia. There are papers which work with these platforms separately. In this paper, we propose a new technique to use these two sources together to improve the prediction of influenza outbreaks. We achieved promising results for both nowcasting and forecasting with linear regression models.
流感疫情的预测对卫生从业人员、官员和民众至关重要。随着互联网的日益普及,获取和处理互联网搜索查询数据变得越来越容易,也越来越有价值。人们广泛使用的两个重要平台是谷歌和维基百科。在这两个平台中,访问日志都是可用的,这意味着我们可以看到任何查询/文章被搜索的频率。b谷歌有自己的监测和预测流感疾病的网络服务,叫做b谷歌流感趋势。它提供了对一些国家流感活动的估计。第二种选择是维基百科访问日志,它提供了维基百科上文章的访问次数。有些论文分别与这些平台一起工作。在本文中,我们提出了一种新的技术,利用这两个来源一起提高流感爆发的预测。我们用线性回归模型对临近预报和预测都取得了很好的结果。
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引用次数: 23
Mechanisms of scavenging reactions of alizarin with hydroperoxyl and methylperoxyl radicals 茜素与羟基和甲基过氧自由基清除反应的机制
S. Jeremic, Ana D. Amic, Z. Marković
Alizarin is anthraquinone with moderate antioxidative capacity. In this work mechanisms of antioxidative activity of alizarin with hydroperoxy and methylperoxy radicals are investigated. All calculations are carried out using B3LYP-D2 method and 6-311+G(d, p) basis set. It is affirmed based on several parameters that hydroxyl group at position 2 is predominant for antiradical activity. PCET mechanism is estimated as favorable mechanism for scavenging activity of alizarin with two selected radicals.
茜素是一种具有中等抗氧化能力的蒽醌。本文研究了茜素抗羟基自由基和甲基过氧自由基的作用机制。所有计算均采用B3LYP-D2方法和6-311+G(d, p)基集进行。基于多个参数证实,2位羟基的抗自由基活性占优势。PCET机制被认为是茜素清除两种自由基的良好机制。
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引用次数: 1
Enabling pharmacogenomic services: Informatics and computational discovery aspects 使药物基因组学服务:信息学和计算发现方面
G. Potamias, Kleanthi Lakiotaki, Evgenia Kartsaki, A. Kanterakis, T. Katsila, G. Patrinos
We present ePGA (electronic Pharmacogenomics Assistant), a web-based system that offers two main services to the engaged pharmacogenomic biomedical communities namely, explore - a service to search and browse through established pharmacogenomic gene-drug associations, and translate - a service to infer metabolizing phenotypes from individual genotype profiles. Furthermore, we present our work on utilizing a machine-learning methodology (decision-tree induction) in order to induce generalized pharmacogenomic translation models from known haplotype-tables that are able to infer the metabolizer status of individuals from their genotype profiles. Preliminary results are highly predictive, and highlight the potential of the whole approach. The whole work falls into the rising field of Pharmacogenomic Informatics.
我们提出了ePGA(电子药物基因组学助理),一个基于网络的系统,为参与药物基因组学生物医学社区提供两项主要服务,即探索-一项搜索和浏览已建立的药物基因组学基因-药物关联的服务,以及翻译-一项从个体基因型谱推断代谢表型的服务。此外,我们介绍了我们利用机器学习方法(决策树归纳)的工作,以便从已知的单倍型表中归纳出广义的药物基因组学翻译模型,该模型能够从个体的基因型谱中推断出个体的代谢状态。初步结果具有很高的预测性,并突出了整个方法的潜力。整个工作属于新兴的药物基因组信息学领域。
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引用次数: 0
Acceleration of image filtering algorithms for 3D visualization of murine lungs using dataflow engines 基于数据流引擎的小鼠肺三维可视化图像滤波算法的加速
I. Milankovic, A. Peulić, A. Ysasi, W. Wagner, A. Pabst, M. Ackermann, Jan Houdek, S. Föhst, S. Mentzer, M. Konerding, N. Filipovic, A. Tsuda
Image filtering is one of the most common and important tasks in image processing applications. In this paper, image processing using a mean filtering algorithm combined with thresholding and binarization algorithms for the 3D visualization and analysis of murine lungs is explained. These algorithms are then mapped on the Maxler's MAX2336B Dataflow Engine (DFE) to significantly increase calculation speed. Several different DFE configurations were tested and each yielded different performance characteristics. Optimal algorithm calculation speed was up to 30 fold baseline calculation speed.
图像滤波是图像处理应用中最常见、最重要的任务之一。本文介绍了一种结合阈值分割和二值化算法的均值滤波算法在小鼠肺部三维可视化和分析中的应用。然后将这些算法映射到Maxler的MAX2336B数据流引擎(DFE)上,以显着提高计算速度。测试了几种不同的DFE配置,每种配置都产生了不同的性能特征。优化算法计算速度可达基准计算速度的30倍。
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引用次数: 2
Computational modeling of plaque progression in coronary arteries 冠状动脉斑块进展的计算模型
Milos D. Radovic, V. Isailović, I. Šaveljić, Z. Milosevic, D. Nikolić, T. Exarchos, D. Fotiadis, O. Parodi, N. Filipovic
Atherosclerosis is a medical condition becoming the number one cause of death worldwide. For this reason, any developement that may help physicians in early diagnostic and selection of the most appropriate treatment strategy is of great importance. In this paper we describe three-dimensional computer model of plaque formation and development for human coronary artery. In order to validate proposed model we used ten specific patients from CT study belonging to one of the following groups: (1) de-novo group - patients with new formed plaques, (2) old-lesions group - patients with plaques with progression and (3) control group - patients with plaques without progression. Plaque volume progression is fitted by using two time points for baseline and follow up. Results obtained within this study indicate high potential of this model to be used in clinical practice, thus assisting physicians by providing them valuable information about future disease progression.
动脉粥样硬化是一种医学疾病,已成为全球头号死亡原因。因此,任何可能有助于医生早期诊断和选择最合适治疗策略的进展都是非常重要的。本文描述了人类冠状动脉斑块形成和发展的三维计算机模型。为了验证所提出的模型,我们使用了CT研究中的10例特定患者,属于以下组之一:(1)新生组-新形成斑块的患者,(2)旧病变组-斑块进展的患者,(3)对照组-斑块无进展的患者。通过基线和随访两个时间点来拟合斑块体积进展。本研究获得的结果表明,该模型在临床实践中具有很高的潜力,从而为医生提供有关未来疾病进展的宝贵信息。
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引用次数: 1
Free radical scavenging potency of 3-hydroxyphenylacetic acid: A DFT study 3-羟基苯乙酸清除自由基能力的DFT研究
Ana D. Amic, J. M. Markovic, S. Jeremic, Ivana Gadanski, B. Lučić, D. Amic
3-Hydroxyphenylacetic acid (3-HPA) is one of the colon microbial metabolites of flavonoids produced in high concentrations (~300 μM). In this work potency of direct inactivating of selected set of free radicals by 3-HPA was computationally investigated. All calculations were carried out using M05-2X functional with 6-311++G(d, p) basis set coupled with the SMD solvation model. Thermodynamics of three free radical scavenging mechanisms were studied considering electronic properties of 3-HPA and scavenged free radicals. On the basis of obtained results it can be safety predicted that 3-HPA is able to at least in situ effectively scavenge free radicals of different nature, thus contributing to protection from diseases mediated by oxidative stress.
3-羟基苯基乙酸(3-HPA)是黄酮类化合物在高浓度(~300 μM)下产生的结肠微生物代谢物之一。本研究计算了3-HPA直接灭活选定自由基的效力。所有计算均使用6-311++G(d, p)基集的M05-2X泛函与SMD溶剂化模型耦合进行。从3-HPA的电子性质和清除自由基的性质出发,研究了3种自由基清除机制的热力学。根据所获得的结果,可以安全地预测3-HPA至少能够原位有效地清除不同性质的自由基,从而有助于预防氧化应激介导的疾病。
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引用次数: 0
An automated approach to conduct effective on-site presumptive drug tests 一种自动化的方法来进行有效的现场推定药物测试
Subrata Acharya, Reza Sarraf
Drug traffickers are active and always looking for new ways to mix drugs to avoid their detection and identification. One example is black cocaine, which is a mixture of cocaine base and cocaine hydrochloride and other additional substances. It is challenging for investigators to accurately identify the test for investigative purposes without conducting an on-site evaluation. Presumptive drug test is the preliminary on-site test, conducted by a crime scene investigative officer to detect the presence of a substance by changing color with a chemical reagent. The current approach is manual and relies heavily on the expertise of the officer conducting the test and is limited by their physical ability and other environmental factors. This research aims at developing a novel web-based solution to perform automated presumptive drug tests. The reporting and attestation and reporting are also fully automated. The solution includes real-time interactions between the on-site and the off-site investigative teams. The practical application of this approach is in the field of crime scene investigation both on-site and in the off-site laboratories. The application has been evaluated successfully with two nationally recognized forensic laboratories. Furthermore, a stand-alone hardware/software co-design approach (for security and privacy reasons) is being incorporated as am automated tool in the mobile vehicles of the investigative team.
贩毒者很活跃,总是在寻找新的方法来混合毒品,以避免被发现和识别。一个例子是黑色可卡因,它是可卡因碱、可卡因盐酸盐和其他附加物质的混合物。对于调查人员来说,在不进行现场评估的情况下,准确地识别出用于调查目的的测试是一项挑战。推定药物测试是由犯罪现场调查人员进行的初步现场测试,通过化学试剂改变颜色来检测物质的存在。目前的方法是手动的,严重依赖于进行测试的官员的专业知识,并受到他们的身体能力和其他环境因素的限制。本研究旨在开发一种新颖的基于网络的解决方案,以执行自动推定药物测试。报告、证明和报告也是完全自动化的。该解决方案包括现场和非现场调查小组之间的实时交互。这种方法的实际应用是在现场和非现场实验室的犯罪现场调查领域。该应用程序已成功地评估了两个国家认可的法医实验室。此外,一种独立的硬件/软件协同设计方法(出于安全和隐私原因)正在作为一种自动化工具纳入调查小组的移动车辆中。
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引用次数: 0
期刊
2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE)
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