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A QSAR Model for Predicting the Anti HIV-1 Activity of TIBO Derivatives Using the Norm Indexes
Lei Li,Fangyou Yan,Xiangying Xu,Qingzhu Jia,Qiang Wang,Peisheng Ma 대한화학회 2016 Bulletin of the Korean Chemical Society Vol.37 No.6
As non-nucleoside reverse transcriptase inhibitors, tetrahydroimidazo [4,5,1-jk][1, 4] benzodiazepinone (TIBO) derivatives play an important role in treating acquired immunodeficiency syndrome (AIDS). The activities (The 50% antiviral inhibitory concentration, pIC50) of a series of HIV reverse transcriptase inhibitor TIBO derivatives were modeled by the quantitative structure-activity relationship (QSAR) method. Based on the norm indexes proposed by our group, a multiple linear regression (MLR) model was developed to estimate the pIC 50 of anti HIV-1 activity of TIBO derivatives. The squared correlation coefficients for training set (R 2 train) and test set (R 2 test) are 0.911 and 0.913, respectively. The average absolute relative deviation (ARD) and overall average absolute error (AAE) are 5.78% and 0.330, respectively. Comparison results with other references demonstrated that this norm-based model was efficient and could provide satisfying prediction results.
Thermal Model and Numerical Simulation of Selective Laser Alloying Process of Elemental Ti and B
Wenlin Ye,Yuan Tian,Dan Zhou,Peisheng Li,Jie Lei,Ying Zhang 대한금속·재료학회 2021 METALS AND MATERIALS International Vol.27 No.8
TiB2 has excellent performances in terms of wear resistance and corrosion resistance, mechanical strength, high elasticmodulus and high compressive strength, hardness, but its application is still limited due to its poor manufacturability. It isexpected to provide a transforming technology for its application by implementing additive manufacture of TiB2. The maincontent of this paper is to propose an innovative technology, selective laser alloying (SLA), using elemental powders ofTitanium and Boron provides a transforming technology for the application of TiB2by enabling its 3D forming from a puresimulation perspective. In this paper, a model of the in-situ reaction process is proposed. By considering the concentrationdistribution of Ti, B and TiB2,the effects of chemical reaction rate and laser power on the evolution of the free solid–liquidinterface and species transport are discussed. The laser energy consumed in the SLA process and the energy released bythe chemical reaction were theoretically derived. It showed that the heat released from the exothermic reaction betweenTitanium and Boron is an important energy source which can reduce the energy input and help improve the manufacturingefficiency of the SLA process; the chemical reaction rate has a significant influence on the concentration distribution of Ti,B and TiB2;the volume and existence time of molten pool and the heat source of reaction strongly relies on the chemicalreaction rate and the laser power.
( Ying Zhou ),( Xiujun Gao ),( Cuijuan Shi ),( Mengying Li ),( Wenwen Jia ),( Zongze Shao ),( Peisheng Yan ) 한국균학회 2021 Mycobiology Vol.49 No.2
Despite recent studies, relatively few are known about the diversity of fungal communities in the deep Atlantic Ocean. In this study, we investigated the diversity of fungal communities in 15 different deep-sea sediments from the South Atlantic Ocean with a culturedependent approach followed by phylogenetic analysis of ITS sequences. A total of 29 fungal strains were isolated from the 15 deep-sea sediments. These strains belong to four fungal genera, including Aspergillus, Cladosporium, Penicillium, and Alternaria. Penicillium, accounting for 44.8% of the total fungal isolates, was a dominant genus. The antiaflatoxigenic activity of these deep-sea fungal isolates was studied. Surprisingly, most of the strains showed moderate to strong antiaflatoxigenic activity. Four isolates, belonging to species of Penicillium polonicum, Penicillium chrysogenum, Aspergillus versicolor, and Cladosporium cladosporioides, could completely inhibit not only the mycelial growth of Aspergillus parasiticus mutant strain NFRI-95, but also the aflatoxin production. To our knowledge, this is the first report to investigate the antiaflatoxigenic activity of culturable deep-sea fungi. Our results provide new insights into the community composition of fungi in the deep South Atlantic Ocean. The high proportion of strains that displayed antiaflatoxigenic activity demonstrates that deep-sea fungi from the Atlantic Ocean are valuable resources for mining bioactive compounds.
Wenlin Ye,Jin Bao,Jie Lei,Yicheng Huang,Zhihao Li,Peisheng Li,Ying Zhang 대한금속·재료학회 2022 METALS AND MATERIALS International Vol.28 No.1
A mesoscopic simulation based on random packing powder bed model was established to study the heat behavior of CP-Tiduring selective laser melting. The characteristics of the molten pool under the interaction of laser and powder, and theinfuence of laser power on the thermal behavior, hydrodynamics and surface morphology evolution of the molten pool werestudied. The results show that with the increase of laser power, the maximum temperature, temperature change rate, lifetimeof molten pool and size are greatly improved. In addition, the characteristics and heat behavior of the molten pool under thedouble track are mainly studied in this study. It is found that the maximum temperature, lifetime, and the length and width ofthe molten pool of the second track are higher than those in the frst, and with the increase of laser power, the length widthratio of the second track in molten pool becomes larger