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| 1 | Screen efficiency comparisons of decision tree and neural network algorithms in machine learning assisted drug design显示文摘In view of huge search space in drug design, machine learning has become a powerful method to predict the affinity between small molecular drug and targeting protein with the development of artificial intelligence technology. However, various machine learning algorithms including massive different parameters make the prediction framework choice to be quite difficult. In this work, we took a recent drug design competition(from XtalPi company on the DataCastle platform) as the typical case to find the optimized parameters for different machines learning algorithms and the most effective algorithm. After the parameter optimizations, we compared the typical machine learning methods as decision tree(XGBoost, LightGBM) and artificial neural network(MLP, CNN) with root-mean-square error(RMSE) and coefficient of determination(R^2) evaluation. As a result, decision tree is more effective than the neural network as LightGBM>XGBoost>CNN>MLP in the affinity prediction of the specific drug design problem with ~160000 samples. For a much larger screening task in a more complicated drug design study, the sophisticated neural network model may go beyond the decision tree algorithm after generalization enhancing and overfitting reducing. The advanced machine learning methods could extract more information of protein-ligand bindings than traditional ones and improve the screen efficiency of drug design up to 200–1000 times. | Qiumei Pu Yinghao Li Hong Zhang Haodong Yao Bo Zhang Bingji Hou Lin Li Yuliang Zhao Lina Zhao | 2019 | Science China Chemistry2019,62,4: | 5 |
| 2 | Efficacy of Zhonglun'a-decoction-containing serum on fibroblastlike synoviocyte apoptosis in rats with collagen-induced arthritis via inhibiting Janus kinase/signal transducer and activator of transcription signaling pathway显示文摘OBJECTIVE: To investigate the efficacy of Zhonglun'a-decoction-containing serum(ZHONGL-CS)on the in vitro apoptosis of fibroblast-like synoviocytes(FLS) from rats with collagen-induced arthritis(CIA) by investigating the Janus kinase/signal transducer and activator of transcription(JAK/STAT) signaling pathway.METHODS: A CIA rat model was established using bovine type Ⅱ collagen. FLS were isolated, cultured and identified. A cell counting kit-8 was used to detect cell activity. The half maximal inhibitory concentration(IC50) was calculated. Experimental subjects were divided into control, CIA,ZHONGL-CS, JAK2 inhibitor AG490, and ZHONGLCS with AG490 groups. The in vitro cell cycle and apoptosis rate were detected in FLS by flow cytometry. Bcl-2-associated X protein(Bax), B-cell lymphoma 2(Bcl-2), caspase-3, cyclin D1, phosphorylated JAK2, STAT1, and STAT3 protein expressions in FLS were examined by Western blotting. JAK2, STAT1 and STAT3 mRNA levels were examined by quantitative real-time polymerase chain reaction.RESULTS: Compared with the CIA group, FLS proliferation was inhibited, the FLS G0/G1 cell cycle was arrested, and the rate of FLS apoptosis was increased in the ZHONGL-CS group. In the ZHONGLCS group, the protein levels of Bcl-2 and cyclin D1 were reduced compared with the CIA group and the levels of Bax and caspase-3 in FLS were increased. In the ZHONGL-CS group, the expressions of JAK2, STAT1, and STAT3 mRNA and the levels of phosphorylated JAK2, STAT1, and STAT3 proteins were reduced.CONCLUSION: ZHONGL-CS may induce FLS apoptosis in CIA rats. Activation of the JAK/STAT signaling pathway was inhibited in FLS in vitro. | Yang Yongsheng Dong Qiumei Ma Chunjie Zhang Yudi Li Yongle Chen Kun Zhang Suo | 2019 | Journal of Traditional Chinese Medicine2019,39,2: | 4 |
| 3 | Effects of temperature and light on seed germination of ephemeral plants in the Gurbantunggut Desert, China: implications for vegetation restoration显示文摘Seed germination is a key transitional stage in plant life cycle and is strongly regulated by temperature and light.Therefore, research on the effects of temperature and light on seed germination is extremely meaningful for vegetation restoration, especially in desert ecosystems.Seeds of 28 ephemeral plants collected from the Gurbantunggut Desert of China were incubated at different temperatures(5℃/1℃, 15℃/5℃, 20℃/5℃, 25℃/10℃ and 30℃/15℃) in 12-h light/12-h darkness or continuous darkness regimes, and the responses of seed germination to temperature and light and the germination speed were studied in 2016.Results showed that seed germination percentage of the 28 ephemeral plants significantly differed to temperature and light.We classified the studied plants as the following groups based on their responses to temperature: 1 low temperature responsed plants, 12 moderate temperature responsed plants, 7 high temperature responsed plants, 4 non-responsed plants and 5 plants of no germination.It should be noted that Corispermum lehmannianum Bunge is sensitive to both moderate and high temperatures.There were 4 groups of plant in response to light, i.e., 7 light responsed plants, 10 dark responsed plants, 6 light non-responsed plants and 5 plants of no germination.Based on seed germination speed of the 28 ephemeral plants, we divided them into 4 patterns of germination, i.e., very rapid, moderately rapid, moderate and slow.Combining variations of temperature, precipitation and sand dune types in the study area, we suggested that very rapid and moderately rapid germinated plants could be used to moving sand dunes in early spring during vegetation restoration, moderate germinated plants could be used to semi-fixed sand dunes in late autumn, and slow germinated plants could be used to sand plain in summer.Thus, seedling establishment and vegetation restoration would be improved by considering seed germination characteristics of these ephemeral plants in the Gurbantunggut Desert, China. | CHEN Yanfeng CAO Qiumei LI Dexin LIU Huiliang ZHANG Daoyuan | 2019 | Journal of Arid Land2019,11,6: | 4 |
| 4 | Preparation of Fe_2P/Al_2O_3 and FeP/Al_2O_3 catalysts for the hydrotreating reactions显示文摘A 60%Fe/Al_2O_3 catalyst was prepared by the co-precipitation method.It was reduced by H_2 to produce metallic Fe,which was then sulfided by CS_2 to Fe_(0.96) S and Fe_3S_4 or phosphided by triphenylphosphine(PPh3) in liquid phases to Fe2 P and Fe P.It was found that the iron sulfides(Fe0.96 S and Fe_3S_4) exhibited the low activity for the hydrodesulfurization(HDS) reactions.The HDS activity was also low on the Fe(metal)/Al_2O_3 and Fe_2 P/Al_2O_3 catalysts since they were converted into Fe0.96 S and Fe_3S_4 during the HDS reactions.In contrast,the FeP/Al_2O_3 was found to be stable and active for the HDS reactions.In particular,Fe P/Al_2O_3 possessed significantly smaller Fe P particles than Fe P/C,leading to the significant higher HDS activity of FeP/Al_2O_3 than Fe P/C. | Yamei Yuan Jiayou Zhang Hui Chen Qiumei Hou Jianyi Shen | 2019 | Journal of Energy Chemistry2019,28,2: | 2 |
| 5 | Antibacterial Effects of Chinese Herbal Medicines against Streptococcus iniae in Oreochromis niloticus显示文摘In this study,the antibacterial effects of Chinese herbal medicines against Streptococcus iniae in Oreochromis niloticus were investigated by drug sensitivity test. The results indicated that Streptococcus iniae was extremely sensitive to Galla Chinensis,Fructus Hippophae and Fructus Mume,highly sensitive to Sappan Lignum,Pericarpium Granati,Folium Eucalypti and Radix Scutellariae,moderately sensitive to Rhizoma Coptidis,Radix et Rhizoma Rhei,Flos Caryophyllata,Cortex phellodendri and Rabdosia serra( Maxim.) Hara,and insensitive to Herba Portulacae,Herba Houttuyniae,Polygonum hydropiper L.,Herba Menthae,Radix Glycyrrhizae,Pericarpium Citri Reticulatae,Herba Andrographitis and Rhizoma Acori Tatarinowii. Chinese medicinal herbs which Streptococcus iniae was extremely sensitive or moderately sensitive to were selected and prepared into three Chinese herbal medicine formulae for medicated bath of Oreochromis niloticus infected artificially with Streptococcus iniae. The results showed that medicated bath elicited therapeutic effects on infected Oreochromis niloticus. Formula II exhibited the best therapeutic effect with an effective percentage of 90%. | Guisheng GAO Yanying ZHANG Yongmei SU Qiumei SHI Guangping GAO Yating BAI Hongsheng HAN Jianxin ZHU Qingchun SONG Guanglian REN | 2016 | Agricultural Biotechnology2016,5,1: | 2 |
| 6 | Isolation and Identification of Photobacterium damselae subsp.damselae(PDD) from Tongue Sole显示文摘In May 2016,an epizootic occured among cultured tongue soles caused mass deaths in a fish farm in Qinhuangdao,China.In order to find out the etiological agent,a bacterial strain was isolated from ascites and other tissues of sick tongue sole aseptically collected.The isolate was identified as Photobacterium damselae subsp.damsela(PDD) by isolation culture,Gram staining,physiological identification,morohological observation,biochemical identification and 16S rDNA sequence analysis.The results showed that the isolate shared 99.6% homology with the reference strain in GenBank.The animal regression test displayed that the isolate had very strong pathogenicity to tongue sole.The LD_(50) was 3.1 × 10~4 CFU/mL,and it showed pathogenicity to mammals.The antimicrobial susceptibility test showed the isolate was highly sensitive to nrofloxacin,Norfloxacin,Ciprofloxacin,Mequindox;moderately sensitive to Cefradine,Doxycycline;and insensitive to Gentamicin,Ceftriaxone,Tilmicosin,etc.. | Yang Nan Zhang Zhiqiang Wu Tonglei Zhu Jianxin Fu Yanfang Han Hongsheng Wang Hongbin Shi Qiumei Gao Guisheng | 2018 | Animal Husbandry and Feed Science2018,10,2: | 2 |
| 7 | Effects of different Chinese herbal prescriptions on cytokines in autoimmune prostatitis rats显示文摘OBJECTIVE:To observe and compare the effects of Chinese herbal prescriptions for promoting blood circulation,clearing heat,removing toxicity,and dispersing stagnated liver-Qi on cytokines in model rats with experimental autoimmune prostatitis(EAP) to provide an experimental basis for the use of Chinese herbal prescriptions in the treatment of chronic prostatitis.METHODS:One-hundred and ten male Wistar rats were randomly divided into 11 groups:blank group;model group;Huoxuehuayu(promoting blood circulation to remove blood stasis) high,middle,and low dose groups;Qingrejiedu(clearing heat and removing toxicity) high,middle,and low dose groups;and Shuganliqi(dispersing stagnated liver-Qi) high,middle,and low dose groups.Except the blank group,rats in all groups were injected subcutaneously in multiple points on days 0 and 30 with prostatic protein extractive solution(60 mg/ml_),and intraperitoneally injected with diphtheria-pertussis and tetanus vaccine(DPT vaccine) to establish the EAP model.Model rats were administrated high,middle,and low doses of Chinese herbal prescriptions and were sacrificed after 4 weeks.Pathological changes in the prostate gland were observed with HE staining and changes in serum interleukin-6(IL-6),interleukin-8(IL-8),and prostaglandin E_2(PGE_2) levels were detected with enzyme-linked immunosorbent assay.RESULTS:Compared with the blank group,serum PGE_2,IL-6,and IL-8 levels in the model group were significantly higher(P < 0.05).Compared with the model group,serum PGE_2,IL-6,and IL-8 levels in the Qingrejiedu low dose and middle dose groups were significantly lower(P < 0.05),with the lower dose having a more obvious effect.Serum PGE_2,IL-6,and IL-8 levels in the Huoxuehuayu high dose group(P < 0.05),IL-6 and IL-8 levels in the Huoxuehuayu middle dose group(P < 0.05),and the IL-8level in the Huoxuehuayu low dose group were significantly lower than those in the model group(P < 0.05).There were significant differences in PGE_2 and IL-6 levels among the different dose groups of Shuganliqi drugs(P < 0.05).Compared with the model group,serum PGE_(2/) IL-6,and IL-8levels in the Shuganliqi high dose group(P <0.05) and IL-8 level in the Shuganliqi low dose group were significantly lower(P < 0.05),while the Shuganliqi middle dose group did not change significantly(P > 0.05).CONCLUSION:Therefore,in TCM treatment of autoimmune prostatitis,different treatment methods should select different doses.For prescriptions that clear heat and remove toxicity,low doses should be used.For prescriptions that promote blood circulation to remove blood stasis and for prescriptions that disperse stagnated liver-Qi,high doses should be used. | Song Guohong Zhang Qiumei Pang Baozhen He Lijuan Saimaiti Julaiti Tulahong Aisikeer Gao Xuan You Lina Wuxiuer Reyihan Zhou Wentao Pang Qingyang | 2015 | Journal of Traditional Chinese Medicine2015,35,2: | 2 |
| 8 | Assembly-promoted photocatalysis:Three-dimensional assembly of CdS_(x)Se_(1-x)(x=0-1) quantum dots into nanospheres with enhanced photocatalytic performance显示文摘In this paper,through an emulsion-based bottom-up self-assembly method,monodisperse CdS_(x)Se_(1-x)(x=0-1)quantum dots(QDs)with tailoring compositions have been three-dimensionally assembled into spherical architectures in sub-micrometer sizes.UVeVis absorption measurements revealed the enhanced light harvesting abilities of the assembled CdS_(x)Se_(1-x) spheres relative to their constituting QDs.HRTEM characterizations over the CdS_(x)Se_(1-x) assemblies suggested the existence of localized oriented adjoining of the CdS_(x)Se_(1-x) QDs and the resulting nano-twin structures that are favorable for photogenerated electron-hole separation.The quenching of photoluminescence and the improvement in IPCE after the assembly of CdS_(x)Se_(1-x) QDs provided a clue to the likely suppressed electron-hole recombination brought about by the unique architectures and interfaces derived from self-assembly.The above findings were coincided with the remarkably improved H2 evolution activities observed for the wellassembled CdS_(x)Se_(1-x) nanospheres in photocatalytic water splitting,underpinning the importance of the alternative strategy to design advanced semiconductor photocatalysts based on architectural engineering. | Lina Wang Qiumei Di Mingming Sun Jia Liu Chuanbao Cao Jiajia Liu Meng Xu Jiatao Zhang | 2017 | Journal of Materiomics2017,3,1: | 2 |
| 9 | Telbivudine or lamivudine use in late pregnancy safely reduces perinatal transmission of hepatitis B virus in real‐life practice显示文摘 | Hua Zhang Calvin Q. Pan Qiumei Pang Ruihua Tian Miaoe Yan Xin Liu | 2014 | Hepatology2014,,: | 1 |
| 10 | Influences of bentonite on conductivity of composite solid alkaline polymer electrolyte PVA-bentonite-KOH-H2O显示文摘 | Sang Shangbin Zhang Jifu Wu Qiumei | 2007 | Electrochimica Acta2007,52,: | 1 |
| 11 | Complete 3D Measurement in Reverse Engineering Using a Multi-probe System显示文摘 | Xie Zexiao Wang Jianguo Zhang Qiumei | 2005 | International Journal of Machine Tools and Manufacture2005,45,12: | 1 |
| 12 | Modeling and calibration of a structured-light-sensor-based five-axis scanning system 显示文摘 | XIE Zexiao Zhang Qiumei Zhang Guoxiong | 2004 | Measurement2004,,36: | 1 |
| 13 | Influences of Bentonite on conductivity of composite solid alkaline polymer electrolyte PVA-Bentonite-KOH-H2O显示文摘 | Shangbin Sang Jifu Zhang Qiumei Wu | | 0,,: | 1 |
| 14 | Upper and lower solution method and a second order three-point singular boundary value problem显示文摘 | Zhang Qiumei Jiang Daqing | 2008 | Comput Math Appl2008,56,4: | 1 |
| 15 | Numerical Investigations of a Class of Biological Models on Unbounded Domain显示文摘This paper is concerned with numerical computations of a class of biologi-cal models on unbounded spatial domains.To overcome the unboundedness of spatial domain,we first construct efficient local absorbing boundary conditions(LABCs)to re-formulate the Cauchy problem into an initial-boundary value(IBV)problem.After that,we construct a linearized finite difference scheme for the reduced IVB problem,and provide the corresponding error estimates and stability analysis.The delay-dependent dynamical properties on the Nicholson’s blowflies equation and the Mackey-Glass equa-tion are numerically investigated.Finally,numerical examples are given to demonstrate the efficiency of our LABCs and theoretical results of the numerical scheme. | Qiumei Huang Dongfang Li Jiwei Zhang | 2019 | Numerical Mathematics(Theory,Methods and Applications)2019,12,1: | 1 |
| 16 | Energy-Efficient Sensing and Transmission for Multi-Hop Relay Cognitive Radio Sensor Networks显示文摘How to achieve transmissions in an energy-efficient way in multi-hop decode and forward(DF) relay cognitive radio sensor networks(CRSNs) is important since sensor nodes in CRSNs are usually battery powered. This paper aims to maximize energy efficiency(EE) by joint optimizing sensing time and power allocation in multi-channels & multihops DF relay CRSNs under constraints on outage probability and sensing performance. First, we design a channel selection scheme for sensing according to the available probabilities of multi channels. Second, we analyze the expected throughput and energy consumption and formulate the EE problem as a concave/concave fractional program. Third, coordinate ascent and Charnes-Cooper Transformation(CCT) methods are used to transform the nonlinear fractional problem into an equivalent concave problem. Subsequently, the closed form of outage probability is derived and the convergence rate of the iterative algorithm is analyzed. Finally, simulation results show that the proposed scheme can achieve effective EE. | Bin Han Min Zeng Qiumei Guo Hong Jiang Qiuyun Zhang Li Feng | 2018 | China Communications2018,15,9: | 1 |
| 17 | Compressive surface strained atomic-layer Cu2O on Cu@Ag nanoparticles显示文摘Control of surface structure at the atomic level can effectively tune catalytic properties of nanomaterials.Tuning surface strain is an effective strategy for enhancing catalytic activity;however,the correlation studies between the surface strain with catalytic performance are scant because such mechanistic studies require the precise control of surface strain on catalysts.In this work,a simple strategy of precisely tuning compressive surface strain of atomic-layer Cu2O on Cu@Ag (AL-Cu2O/Cu@Ag) nanoparticles (NPs) is demonstrated.The AL-Cu2O is synthesized by structure evolution of Cu@Ag core-shell nanoparticles,and the precise thickness-control of AL-Cu2O is achieved by tuning the molar ratio of Cu/Ag of the starting material.Aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM) and EELS elemental mapping characterization showed that the compressive surface strain of AL-Cu2O along the [111] and [200] directions can be precisely tuned from 6.5% to 1.6% and 6.6% to 4.7%,respectively,by changing the number of AL-Cu2O layer from 3 to 6.The as-prepared AL-Cu2O/Cu@Ag NPs exhibited excellent catalytic property in the synthesis of azobenzene from aniline,in which the strained 4-layers Cu2O (4.5% along the [111] direction,6.1% along the [200] direction) exhibits the best catalytic performance.This work may be beneficial for the design and surface engineering of catalysts toward specific applications. | Xiyue Zhu Hongpan Rong Xiaobin Zhang Qiumei Di Huishan Shang Bing Bai Jiajia Liu Jia Liu Meng Xu Wenxing Chen Jiatao Zhang | 2019 | Nano Research2019,12,5: | 1 |
| 18 | Multiple solutions to semipositone Dirichlet boundary value problems with singular dependent nonlineari- ties for second order three-point differential equations显示文摘 | Zhang Qiumei Jiang Daqing | 2010 | Comput Math Appl2010,59,8: | 1 |
| 19 | Selected Introduction to America Core Storehouse(the First)显示文摘 | ZHOU Qiumei ZHANG Jing | 2008 | Development and Research of the M anagement of Geological M aterials2008,,2: | 1 |
| 20 | Death receptor 6 is a novel plasmacytoid dendritic cell-specific receptor and modulates type I interferon production显示文摘 | Jingyun Li Qiumei Du Rui Hu Yanbing Wang Xiangyun Yin Haisheng Yu Peishuang Du Joel Plu-mas Laurence Chaperot Yong-jun Liu Liguo Zhang | 2016 | Protein & Cell2016,7,4: | 1 |