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1.
Orientations of proteins in the membranes are crucial to their function and stability. Unfortunately the exact positions of these proteins in the lipid bilayer are mostly undetermined. Here, the spatial orientation of membrane proteins within the lipid membrane was evaluated using a Poisson–Boltzmann solvent continuum approach to calculate the electrostatic free energy of the protein solvation at various orientations in an implicit bilayer. The solvation energy was obtained by computing the difference in electrostatic energies of the protein in water and in lipid/water environments, treating each as an implicit solvent model. The optimal position of transmembrane proteins (TMP) in a lipid bilayer is identified by the minimum in the “downhill” pathway of the solvation energy landscape. The energy landscape pattern was considerably conserved in various TMP classes. Evaluation of the position of 1060 membrane proteins from the orientations of proteins in membranes (OPM) database revealed that most of the polytopic and β-barrel proteins were in good agreement with those of the OPM database. The study provides a useful scheme for estimating the membrane solvation energy made by lipid-exposed amino acids in membrane proteins. In addition, our results tested with the bacterial potassium channel model demonstrated the potential usefulness of the approach in assessing the quality of membrane protein models. The present approach should be applicable for constructing transmembrane proteins–lipid configuration suitable for membrane protein simulations and will have utility for the structural modeling of membrane proteins. 相似文献
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《Journal of Great Lakes research》2022,48(3):659-668
Previous studies reported coastal trapped waves (CTWs) in the Caspian Sea (CS). This study deals with the generation mechanisms, the temporal and spatial variability of CTWs in this area, and their transformations during propagation from the origin to the destination using recent measurements and high-resolution numerical simulations. CTWs are observed at all stations with periods of 2–6 days after northerly storms. The Absheron Peninsula, old Sefidrud delta, and Nur coasts were identified as the CTWs prone regions. The generation of CTWs in these locations was confirmed using numerical experiments. The propagation away from the generating location of CTWs was analyzed using a representative real wind storm. In the west part of the CS, the generation mechanism of CTWs is mainly similar to the barotropic Kelvin waves; in contrast, it is similar to the continental shelf waves in the southern shelves. The results can be used to study the contribution of generated CTWs to the transport of sediment and biological materials in all large lakes. 相似文献
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E. Clayton Teague 《Journal of research of the National Institute of Standards and Technology》1989,94(6):367-371
An analysis of the uncertainty in measuring the root-mean-square, rms or Rq, value of a periodic waveform which results from the use of a finite record length is presented. Even though the results of the analysis are somewhat as expected, i.e., that the uncertainty is inversely proportional to the number of periods in the record, the explicit relationship between the magnitude of the uncertainty and properties of the waveform does not appear to be available in the literature. The paper first presents an introductory example in terms of the reasonably well known case of bandwidth limited Gaussian waveform to introduce definitions. Following this is an analysis of the periodic waveform using the same approach. It is shown that for a large number of periods, n, in the record length, the normalized three standard deviation of the rms value is given by 3/(8πn). 相似文献
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针对分段线性表示(即一阶线性函数表示)或分段常数表示(即零阶函数表示)在时间序列近似表示中拟合误差较大的问题,提出时间序列高阶函数分段表示方法。通过建立高阶函数候选集模型,利用拟合误差指标选取最优函数,为保证在分段点处连续,引入断点处约束条件;在分段点选取方式上,设定观测值变化阈值及分段区间阈值,保证压缩率的同时,保留重要点信息。实验结果表明,该算法相对于分段线性表示和分段常数表示,能更好地拟合原始序列。 相似文献
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采用石墨电极作为阴极,通过向腐蚀溶液中添加适量65%(质量分数wt%,下同)浓硝酸,以电化学腐蚀法在单晶硅片表面制备出多孔硅微结构.实验表明,随着腐蚀时间的增加,衡量多孔硅表面形貌的粗糙度和颗粒度指标值呈周期性增减变化;在电流密度为10 mA/cm2的阳极腐蚀参数下,将单晶硅片腐蚀1875秒制备的多孔硅样品的粗糙度和颗粒度值相对较大,原子力显微镜(AFM)和扫描电子显微镜(SEM)检测结果表明其硅柱最大高度、颗粒最大直径和平均直径分别达到470 nm、1693.590nm、489.954nm. 相似文献