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Mapping the ACE2 binding site on the SARS-CoV-2 spike protein S1: molecular recognition pattern 绘制SARS-CoV-2刺突蛋白S1上ACE2结合位点:分子识别模式
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2020-01-01 DOI: 10.3176/proc.2020.4.09
A. Kuznetsov, J. Järv
Coronavirus SARS-CoV-2 enters the host cell via binding with the angiotensin-converting enzyme 2 (ACE2), and here we used computational modelling to study the molecular recognition pattern of this interaction The fragment of the N-terminal part of the enzyme containing amino acids 19-45 was used as the lead peptide in this study The structure of this peptide was systematically modified by successive replacement of its amino acids with alanine, serine, glycine, and phenylalanine Then docking energies were calculated for all these mutant peptides These docking energies were correlated with physical descriptors, proposed for the modelling of peptide-protein interactions, characterizing hydrophilicity and volume-related properties of amino acid side chains From these correlations the corresponding specificity factors were obtained for all amino acid positions, and thus the full description of the molecular recognition pattern of the ACE2 alpha 1 domain by the virus S1 protein binding site was obtained
冠状病毒SARS-CoV-2通过与血管紧张素转换酶2 (ACE2)结合进入宿主细胞,本文采用计算模型研究了这种相互作用的分子识别模式。该酶n端含有氨基酸19-45的片段在本研究中被用作先导肽。该肽的结构通过连续用丙氨酸、丝氨酸、甘氨酸、然后计算所有这些突变肽的对接能。这些对接能与物理描述符相关,这些描述符被用来建模肽-蛋白质相互作用,表征氨基酸侧链的亲水性和体积相关性质。从这些相关性中获得了所有氨基酸位置的相应特异性因子。从而获得了病毒S1蛋白结合位点对ACE2 α 1结构域的分子识别模式的完整描述
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引用次数: 3
Application of diffuse reflectance spectroscopy for quick laboratory assessment of Estonian oil shale quality 漫反射光谱技术在爱沙尼亚油页岩质量实验室快速评价中的应用
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2020-01-01 DOI: 10.3176/proc.2020.2.04
I. Tufail, P. Paris, I. Jõgi, M. Aints, A. Siiman, H. Riisalu, M. Laan
. Diffuse reflectance spectroscopy in near infrared region was used as a fast laboratory method for quantitative assessment of the calorific value and the moisture content of Estonian oil shale. Samples of different caloricity were collected from Narva open­ cast mine and from beneficiation plant of Estonia underground mine, Estonia. The set of crushed oil shale samples, which moisture content was varied were tested by the help of a commercial multipurpose analyser, where Fourier­transform spectrometer recorded spectra in near infrared region and the software used partial least squares regression method. Results were related to the values of caloricity and moisture content, obtained by the bomb calorimeter and weighing methods, respectively. Bands characterizing organic and inorganic parts of the samples as well as the presence of the free water were ascertained by the infrared spectroscopy. Using the software provided by the analyser, the calorific value and the moisture content of samples were predicted. The prediction error of the lower caloricity was 1 MJkg –1 and prediction error of the weight percent of the moisture content was 1.35%. The comparison between achieved results and the values obtained from earlier laser­induced breakdown spectroscopy (LIBS) measurements shows that in la­ boratory conditions more precise prediction can be made by diffuse reflectance measurements. Further improvement of the prediction accuracy could be achieved by modified software which considers observed nonlinear effects in spectra.
. 采用近红外漫反射光谱作为快速定量评价爱沙尼亚油页岩热值和含水率的实验室方法。从爱沙尼亚Narva露天矿和爱沙尼亚地下矿选矿厂采集了不同热量的样品。采用商用多用途分析仪,利用傅里叶变换光谱仪记录近红外光谱,软件采用偏最小二乘回归方法,对一组不同含水率的油页岩破碎样品进行了测试。结果与热值和含水率有关,分别由炸弹量热计和称重法获得。用红外光谱确定了样品中有机和无机部分的谱带以及游离水的存在。利用该分析仪提供的软件,预测了样品的热值和水分含量。低热量预测误差为1 MJkg -1,水分含量重量百分比预测误差为1.35%。通过与先前激光诱导击穿光谱(LIBS)测量结果的比较表明,在实验室条件下,漫反射测量可以做出更精确的预测。考虑光谱中观测到的非线性效应,改进软件可进一步提高预测精度。
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引用次数: 0
Life cycle analysis of electrical motor-drive system based on electrical machine type 基于电机类型的电机驱动系统寿命周期分析
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2020-01-01 DOI: 10.3176/proc.2020.2.07
A. Rassõlkin, A. Belahcen, A. Kallaste, T. Vaimann, Vyacheslavovich Lukichev, S. Orlova, H. Heidari, B. Asad, Jaime Pando
. Nowadays a lot of attention is paid on the issues of global warming and climate change. Human impact on the environment is noticeable from the aspect of resource life cycles. Energy efficiency requirements have led to the research and development of alternative technologies for the rotating electrical machines. The life cycle assessment brings out important procedures which can help to reduce machines’ impact on the environment, being therefore an instrument for the assessment of the influence of particular products on the environment from cradle to grave – beginning with working out the materials, followed by manufacturing, transporting, marketing, use, and recycling. Three types of electrical machines have been chosen for comparison: synchronous reluctance motor, permanent magnet assisted synchronous reluctance motor and induction motor. The article presents a life cycle assessment case study based on experimental results of motors designed by the research group.
. 现在很多人都在关注全球变暖和气候变化的问题。从资源生命周期来看,人类对环境的影响是显而易见的。能源效率的要求导致了对旋转电机替代技术的研究和开发。生命周期评估提出了重要的程序,可以帮助减少机器对环境的影响,因此是评估特定产品从摇篮到坟墓对环境影响的工具-从计算材料开始,然后是制造,运输,营销,使用和回收。选择了三种类型的电机进行比较:同步磁阻电动机、永磁辅助同步磁阻电动机和感应电动机。本文以课题组设计的电机的实验结果为基础,提出了一个生命周期评估案例研究。
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引用次数: 17
Tribological synergy between classical ZDDP and innovative MoS2 and MoO3 nanotube additives at elevated temperatures 经典ZDDP与创新MoS2和MoO3纳米管添加剂在高温下的摩擦学协同作用
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.2.09
A. Tomala, M. R. Ripoll, R. Michalczewski
One of the most important drawbacks limiting the application of MoS2 nanotubes (NTs) as an oil additive is their temperature sensitivity. Recent studies showed that MoS2 NTs can be substituted by MoO3 NTs in conjunction with S-containing lubricants by exploiting a novel approach of in-situ tribochemical sulphurization. The objective of this work was to investigate the temperature influence on tribological properties of innovative lubricant additives in the form of MoS2 and MoO3 NTs. The NTs were mixed in base oil with and without the presence of S-containing additives. The tribological performance was investigated using a SRV reciprocating sliding testing machine in a steel ball on a steel disc configuration under temperature ramping conditions. The results showed very positive synergy between the traditional anti-wear additive and the innovative MoO3 and MoS2 NTs, causing superb tribological performance up to temperatures of 200 °C. The presented findings show that the in-situ sulphurization of MoO3 NTs was promoted by using the traditional zinc dialkyl dithiophosphates (ZDDP) anti-wear additive, which ensured the stability of this additive combination at severe oil temperature and tribotest conditions. The tribochemically formed tribofilm derived from ZDDP and in-situ sulphurized MoO3 was much thicker compared to other lubricating blends investigated in our research so far.
限制二硫化钼纳米管(NTs)作为石油添加剂应用的最重要的缺点之一是它们的温度敏感性。最近的研究表明,利用原位摩擦化学硫化的新方法,MoO3纳米管可以代替MoS2纳米管与含s润滑油结合使用。本研究的目的是研究温度对MoS2和MoO3纳米管形式的新型润滑油添加剂摩擦学性能的影响。将NTs混合在有或没有含s添加剂的基础油中。采用SRV往复滑动试验机对钢球-钢盘结构在变温条件下的摩擦学性能进行了研究。结果表明,传统的抗磨添加剂与创新的MoO3和MoS2纳米管之间存在非常积极的协同作用,可在高达200°C的温度下产生出色的摩擦学性能。研究结果表明,传统的二烷基二硫代磷酸锌(ZDDP)抗磨添加剂促进了MoO3 NTs的原位硫化,保证了该添加剂组合在恶劣油温和摩擦试验条件下的稳定性。由ZDDP和原位硫化MoO3形成的摩擦膜比我们目前研究的其他润滑共混物要厚得多。
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引用次数: 6
Criteria for modelling wave phenomena in complex systems:the case of signals in nerves 复杂系统中波动现象的建模准则:神经信号的例子
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.3.05
J. Engelbrecht, K. Tamm, T. Peets
The propagation of signals in nerves is characterized by complexity where the interactions between the electrical signal and accompanying mechanical and thermal effects must be taken into account. That is why in the modelling of wave phenomena the knowledge from physiology, physics, and mathematics must be cast into a whole. In this paper the wave phenomena in nerves are characterized from the viewpoint of complexity and interdisciplinarity, followed by the analysis of principles and criteria in the modelling of biological systems. The central part is the description of the step-by-step approach in building up a coupled mathematical model of signal propagation in axons. Attention is paid to the coupling forces which link the single waves into an ensemble. The mathematical description of the model is presented in the Appendix.
信号在神经中的传播具有复杂性的特点,其中电信号与伴随的机械和热效应之间的相互作用必须考虑在内。这就是为什么在对波动现象进行建模时,必须把生理学、物理学和数学的知识整合成一个整体。本文从复杂性和多学科性的角度对神经中的波现象进行了描述,分析了生物系统建模的原理和准则。中心部分是描述逐步建立信号在轴突中传播的耦合数学模型的方法。注意将单个波连接成一个系综的耦合力。该模型的数学描述见附录。
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引用次数: 5
Experimental study of eddy viscosity for breaking waves on sloping bottom and comparisons with empirical and numerical predictions 斜底破碎波涡动黏度的实验研究及与经验和数值预测的比较
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.3.07
N. Oldekop, T. Liiv, J. Laanearu
Focus is on the turbulence for a plunging breaker. Laser Doppler anemometer point measurements were used to determine the velocity matrix of a breaking wave on a sloping bottom. Using the Reynolds stress anisotropy for incompressible fluid, it was found that the ensemble averaged measured velocity predicted eddy viscosity is associated with peaks, which are absent in the broadly accepted empirical predictions. The instantaneous eddy viscosity coefficient was determined according to the Reynolds stresses, modified mean velocity and its gradient components and turbulent kinetic energy. The modified mean velocity and its derivatives improve eddy viscosity predictions during the wave period, which gives evidence that the velocity used corresponds well to a rotational part. In addition to the measurement predictions, empirical formulae were used to estimate the eddy viscosity values during the wave period. Furthermore, a meshless numerical model is proposed to determine artificial viscosity and demonstrate its dependence on eddy viscosity in the case of weakly compressible fluid.
重点是颠簸的破碎机。采用激光多普勒测速仪的测点测量,确定了波浪在倾斜底部的速度矩阵。利用不可压缩流体的雷诺应力各向异性,发现集合平均测量速度预测的涡流粘度与峰值相关,这在广泛接受的经验预测中是不存在的。根据雷诺应力、修正平均速度及其梯度分量和湍流动能确定瞬时涡流粘度系数。修正后的平均速度及其导数改善了波浪周期内涡动粘度的预测,这证明所使用的速度与旋转部分很好地对应。除了测量预测外,还使用经验公式来估计波浪周期内的涡流粘度值。在此基础上,提出了一种确定弱可压缩流体中人工黏度的无网格数值模型,并论证了其与涡流黏度的关系。
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引用次数: 0
Suitability analysis of using industrial robots in manufacturing 工业机器人在制造业中的适用性分析
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/proc.2019.4.06
T. Kangru, J. Riives, Kashif Mahmood, T. Otto
Manufacturing industry robotization is spreading into wider range of processes. Determination if robotization is suitable for the company is one of the most critical issues before selecting industrial robot and designing the robot cell. A survey was carried out among Estonian small and medium sized manufacturing enterprises (SMEs) for this study to determine the utilization of industrial robot (IR) in the industry. More specific study of production unit was conducted, using gathered information, to estimate how the objectives of the production cell design were achieved. The aim of the present scientific work is to map the knowledge whether robotization is suitable or not for the company or working processes and to appoint parameters obtained after using the robot cell for practical manufacturing processes. The study results comprise the suitability assessment method with the set of criteria and key performance indicators (KPIs), that best describe implemented production unit profitability and help SMEs to gain additional economic-technical information for future robot-based unit development.
制造业的机器人化正在向更广泛的工艺领域蔓延。在选择工业机器人和设计机器人单元之前,确定机器人化是否适合公司是最关键的问题之一。在爱沙尼亚中小型制造企业(SMEs)中进行了一项调查,以确定工业机器人(IR)在工业中的利用。利用收集到的信息,对生产单元进行了更具体的研究,以估计如何实现生产单元设计的目标。当前科学工作的目的是绘制机器人化是否适合公司或工作过程的知识,并指定在实际制造过程中使用机器人单元后获得的参数。研究结果包括适用性评估方法与一套标准和关键绩效指标(kpi),最好地描述实施生产单位的盈利能力,并帮助中小企业获得额外的经济技术信息,为未来的机器人为基础的单位发展。
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引用次数: 10
On generalized fuzzy sets in ordered LA-semihypergroups 关于有序la -半超群中的广义模糊集
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.1.06
M. Gulistan, N. Yaqoob, Seifedine Kadry, Muhammad Azhar
Using the notion of generalized fuzzy sets, we introduce the notions of generalized fuzzy hyperideals, generalized fuzzy bi-hyperideals, and generalized fuzzy normal bi-hyperideals in an ordered nonassociative and non-commutative algebraic structure, namely an ordered LA-semihypergroup, and we characterize these hyperideals. We provide some results related to the images and preimages of generalized fuzzy hyperideals in ordered LA-semihypergroups.
利用广义模糊集的概念,在有序非结合非交换代数结构即有序la -半超群中引入了广义模糊超群、广义模糊双超群和广义模糊正规双超群的概念,并对这些超群进行了刻画。给出了关于有序la -半超群中广义模糊超群的象和原象的一些结果。
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引用次数: 13
Photocatalytic properties of TiO2 nanostructures of different morphology modified with various modifiers 不同改性剂对不同形貌TiO2纳米结构光催化性能的影响
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.2.08
R. Drunka, J. Grabis, D. Jankoviča, D. Rašmane, A. Krumina
Synthesis of TiO2 nanotube coatings, nanoporous coatings, and nanofibres by using titanium anodizing, microplasma electrolytic oxidation, and microwave-assisted hydrothermal synthesis in different regimes was studied. Optimal conditions for each of the methods for obtaining nanostructures were determined. The obtained TiO2 nanofibres and nanotube and nanoporous coatings were modified with Au, Ag, Pt, Pd, S, WO3, and Eu2O3, nanoparticles to improve photocatalytic activity under ultraviolet and visible light irradiation. Photocatalytic properties of photocatalysts were tested by the degradation of methylene blue solution under the influence of ultraviolet and visible light irradiation. The obtained modified photocatalysts exhibited higher photocatalytic activity than pure TiO2 nanostructured photocatalysts. Properties of modified photocatalysts obtained with different methods are compared.
研究了钛阳极氧化、微等离子体电解氧化和微波辅助水热法在不同工艺条件下制备TiO2纳米管涂层、纳米多孔涂层和纳米纤维。确定了每种方法获得纳米结构的最佳条件。采用Au、Ag、Pt、Pd、S、WO3和Eu2O3等纳米粒子对制备的TiO2纳米纤维、纳米管和纳米孔涂层进行改性,提高了紫外和可见光下的光催化活性。通过紫外光和可见光对亚甲基蓝溶液的降解,测试了光催化剂的光催化性能。得到的改性光催化剂比纯TiO2纳米结构光催化剂具有更高的光催化活性。比较了不同方法制备的改性光催化剂的性能。
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引用次数: 0
Multi-source in DF cooperative networks with the PSR protocol based full-duplex energy harvesting over a Rayleigh fading channel: performance analysis 瑞利衰落信道中基于PSR协议的全双工能量采集的多源DF合作网络:性能分析
IF 0.9 4区 综合性期刊 Q2 Engineering Pub Date : 2019-01-01 DOI: 10.3176/PROC.2019.3.03
T. Nguyen, M. Tran, Duy-Hung Ha, T. Trang, M. Voznák
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引用次数: 13
期刊
Proceedings of the Estonian Academy of Sciences
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