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Corey Andrews Yiting Xu Michael Kirberger Jenny J. Yang 《International journal of molecular sciences》2021,22(1)
Calmodulin (CaM) is an important intracellular protein that binds Ca2+ and functions as a critical second messenger involved in numerous biological activities through extensive interactions with proteins and peptides. CaM’s ability to adapt to binding targets with different structures is related to the flexible central helix separating the N- and C-terminal lobes, which allows for conformational changes between extended and collapsed forms of the protein. CaM-binding targets are most often identified using prediction algorithms that utilize sequence and structural data to predict regions of peptides and proteins that can interact with CaM. In this review, we provide an overview of different CaM-binding proteins, the motifs through which they interact with CaM, and shared properties that make them good binding partners for CaM. Additionally, we discuss the historical and current methods for predicting CaM binding, and the similarities and differences between these methods and their relative success at prediction. As new CaM-binding proteins are identified and classified, we will gain a broader understanding of the biological processes regulated through changes in Ca2+ concentration through interactions with CaM. 相似文献
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针对煤矿进口锚杆机除尘马达频繁出现故障的情况,通过排查除尘装置的安装方式和监测马达工作时的压力状态,查找故障原因,并制定解决方案。通过马达外接单向阀,可满足马达进油口最低安全压力限制的要求,解决了马达频繁损坏的问题,保障了设备工作的稳定性,提高了工作效率。 相似文献
4.
醌类化合物是PM2.5中的一类有害物质。本研究建立了纸喷雾离子化衍生质谱法快速测定PM2.5中的醌类污染物。通过衍生化反应在醌化合物中引入氨基,提高醌在纸喷雾中的离子化效率。随后对衍生化试剂种类、电压、喷雾溶剂种类等反应条件进行优化。在最优实验条件下,采用内标法定量分析1,4-苯醌、甲基对苯醌、1,4-萘醌和1,4-蒽醌,4种化合物均呈现较好的线性关系,其检出限分别为4.49、20.89、0.13、0.17 ng。利用该方法分析PM2.5实际样品中的萘醌和蒽醌,均获得了较好的定性和定量结果。 相似文献
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Zhiwei Qiao Lifeng Li Shuhua Li Hong Liang Jian Zhou Randall Q. Snurr 《American Institute of Chemical Engineers》2021,67(10):e17352
Computational screening was employed to calculate the enantioseparation capabilities of 45 functionalized homochiral metal–organic frameworks (FHMOFs), and machine learning (ML) and molecular fingerprint (MF) techniques were used to find new FHMOFs with high performance. With increasing temperature, the enantioselectivities for (R,S)-1,3-dimethyl-1,2-propadiene are improved. The “glove effect” in the chiral pockets was proposed to explain the correlations between the steric effect of functional groups and performance of FHMOFs. Moreover, the neighborhood component analysis and RDKit/MACCS MFs show the highest predictive effect on enantioselectivities among the four ML classification algorithms with nine MFs that were tested. Based on the importance of MF, 85 new FHMOFs were designed, and a newly designed FHMOF, NO2-NHOH-FHMOF, with high similarity to the optimal MFs achieved improved chiral separation performance, with enantioselectivities of 85%. The design principles and new chiral pockets obtained by ML and MFs could facilitate the development of new materials for chiral separation. 相似文献
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《International Journal of Hydrogen Energy》2022,47(61):25769-25779
Gas diffusion layer (GDL) is one of the most important components of fuel cells. In order to improve the fuel cell performance, GDL has developed from single layer to dual layers, and then to multiple layers. However, dual or multi layers in GDL are usually prepared by layer-by-layer methods, which cost too much time, energy, and resources. In this work, we successfully developed a facile one-step method to prepare a GDL with three functional layers by utilizing the different sedimentation rates and filtration rates of short carbon fiber (CF) and carbon nanotube (CNT). The treatment temperature for this GDL is much lower than that of traditional method. The thickness of the GDL can be effectively controlled from as thin as 50 μm to more than 200 μm by simply adjusting the content of CF. The GDL with high flexibility is suitable to develop high performance flexible electronics. The fuel cell with the GDL has the maximum power density 1021 mW cm?2, which shows 19% improvement comparing to the conventional one. Therefore, this work breaks the traditional concept that GDL for fuel cells only can be prepared by very complex and high-cost procedure. 相似文献
10.
Wafaa Mohamed SHABAN Khalid ELBAZ Mohamed AMIN Ayat gamal ASHOUR 《Frontiers of Structural and Civil Engineering》2022,16(3):329
This study presents a new systematic algorithm to optimize the durability of reinforced recycled aggregate concrete. The proposed algorithm integrates machine learning with a new version of the firefly algorithm called chaotic based firefly algorithm (CFA) to evolve a rational and efficient predictive model. The CFA optimizer is augmented with chaotic maps and Lévy flight to improve the firefly performance in forecasting the chloride penetrability of strengthened recycled aggregate concrete (RAC). A comprehensive and credible database of distinctive chloride migration coefficient results is used to establish the developed algorithm. A dataset composite of nine effective parameters, including concrete components and fundamental characteristics of recycled aggregate (RA), is used as input to predict the migration coefficient of strengthened RAC as output. k-fold cross validation algorithm is utilized to validate the hybrid algorithm. Three numerical benchmark analyses are applied to prove the superiority and applicability of the CFA algorithm in predicting chloride penetrability. Results show that the developed CFA approach significantly outperforms the firefly algorithm on almost tested functions and demonstrates powerful prediction. In addition, the proposed strategy can be an active tool to recognize the contradictions in the experimental results and can be especially beneficial for assessing the chloride resistance of RAC. 相似文献