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The synthesis of 6-(tert-butyl)-8-fluoro-2,3-dimethylquinoline carbonate derivatives and their antifungalactivity against Pyricularia oryzae

Long Cheng, Ruirui Zhang, Hongke Wu, Xinghai Liu, Tianming Xu

《化学科学与工程前沿（英文）》 2019年 第13卷 第2期   页码 369-376 doi: 10.1007/s11705-018-1734-7

摘要： A series of novel 6-( -butyl)-8-fluoro-2,3-dimethylquinoline carbonate derivatives were designed and synthesized. Bioassay results showed that some of them exhibited good activity against ( ). It was found that the compound (benzyl (6-( -butyl)-8-fluoro-2,3- dimethylquinolin-4-yl) carbonate) possessed good activity against whatever protective activity (10 mg·L ) or curative activity (25 mg·L ), which was better than that of control tebufloquin. In addition, the frontier molecular orbit results revealed that the compound held higher activity against when the total energy was low and the ClogP was high, which may provide useful information for further design novel fungicides.

关键词： quinoline     synthesis     antifungal activity     rice blast     SAR    

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硫乳霉素衍生物的合成、表征和抗真菌评价 Article

吕培, 陈议亮, 王大伟, 吴祥为, 李庆孝, 华日茂

《工程（英文）》 2020年 第6卷 第5期   页码 560-568 doi: 10.1016/j.eng.2019.10.016

摘要：

以抑菌活性化合物3-酰基硫代季酮酸为先导，根据3-酰基硫代内酯与蛋白质C171Q KasA的结合模式，设计、合成并表征了一系列5位取代不同的3-酰基硫代季酮酸衍生物。筛选了目标化合物对苹果腐烂病菌（Valsa mali）、新月弯孢菌（Curvularia lunata）、禾谷镰刀菌（Fusarium graminearum）和番茄尖镰孢菌（Fusarium oxysporum f. sp. lycopersici）的抑菌活性。大多数目标化合物在浓度为50 μg·mL–1时对供试菌表现出良好的抑菌活性，其中化合物11c和11i具有最高的广谱抑菌活性。11c和11i对供试菌的有效中浓度（EC50）值分别为1.9~10.7 μg·mL–1和3.1~7.8 μg·mL–1，而嘧菌酯（azoxystrobin）、多菌灵（carbendazim）和氟吡菌酰胺（fluopyram）3种杀真菌剂对苹果腐烂病菌的EC50值分别为0.30、4.22和大于50 μg·mL–1；对新月弯孢菌的EC50值分别为6.7、41.7和0.18 μg·mL–1；对禾谷镰刀菌的EC50值分别为22.4、0.42和0.43 μg·mL–1；对番茄尖镰孢菌的EC50值分别为4.3、0.12和大于50 μg·mL–1。对目标化合物对抗新月弯孢菌的结构及活性进行分析，得到具有统计学意义的比较分子场分析（CoMFA）模型，该模型具有较高预测能力（q2 = 0.9816、r2 = 0.8060），其可靠性得到进一步验证。5位苯亚甲基上的不同取代基对目标化合物活性有显著影响，在苯亚甲基苯环上引入卤素原子可以提高目标化合物对供试菌的活性。

关键词： 3-酰基硫代四酸     杀真菌剂     定量构效关系     抗菌活性    

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Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing

Xiaoming Ding, Zhiwen Zhai, Luping Lv, Zhaohui Sun, Xinghai Liu

《化学科学与工程前沿（英文）》 2017年 第11卷 第3期   页码 379-386 doi: 10.1007/s11705-017-1634-2

摘要： A variety of pyrazole derivatives containing 1,3,4-thiadiazole moiety were synthesized under microwave irradiation, and their structures were confirmed by H NMR and HRMS. They were evaluated for herbicidal and antifungal activities, and the results indicated that two compounds with a phenyl group ( ) and 4- -butylphenyl group ( ) possess good herbicidal activity for dicotyledon and with the inhibition of 90% for root and 80%–90% for stalk at 100 ppm respectively. The structure-activity relationship of compounds and was also studied by density function theory method.

关键词： pyrazole     1     3     4-thiadiazole     antifungal activity     herbicidal activity     density function theory    

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Antifungal and antibacterial functions of medicinal leech recombinant destabilase-lysozyme and its heated-up

T. G. YUDINA, Danyang GUO, N. F. PISKUNKOVA, I. B. PAVLOVA, L. L. ZAVALOVA, I. P. BASKOVA

《化学科学与工程前沿（英文）》 2012年 第6卷 第2期   页码 203-209 doi: 10.1007/s11705-012-1277-2

摘要： Antifungal activity of recombinant medicinal leech destabilase-lysozyme (rec.Dest-Lys) was investigated by using fungi: , and , including yeasts and . Its antibacterial activity was investigated on gram-negative bacteria . These activities were assessed by radial agar diffusion assay, and scanning and transmission electron microscopy. Therefore, destabilase-lysozyme not only is endo-isopeptidase and lysozyme, but also has antifungal and antibacterial activities. Muramidase activity of rec.Dest-Lys disappeared after heat-treating at 90°C for 50 min without the loss of its antimicrobial activity. Furthermore we showed for the first time that the heated-up derivative of rec.Dest-Lys exhibited more potent activities against the above enumerated fungi and gram-negative bacteria than original protein.

关键词： recombinant destabilase-lysozyme (rec.Dest-Lys)     antimicrobial activity     antifungal activity     medicinal leech     heated-up derivative of rec.Dest-Lys (T-rec.Dest-Lys)    

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Fusaricidins in

Weicheng LIU, Xiaoli WU, Xuelian BAI, Hong ZHANG, Dan DONG, Taotao ZHANG, Huiling WU

《农业科学与工程前沿（英文）》 2018年 第5卷 第2期   页码 262-270 doi: 10.15302/J-FASE-2017166

摘要： Four kinds of antifungal compounds from an extract of A21 with molecular masses of 883.56, 897.59, 947.55, and 961.58 Da were characterized as the members of fusaricidin-type of antibiotics according to LC-MS analysis. Fusaricidins isolated from culture filtrate displayed high antagonistic activity against several plant fungal pathogens, especially , the causal agent of gray mold. The fusaricidins biosynthetic gene cluster (BGC) from A21 was cloned by PCR and comparative cluster analysis revealed that gene , the 3′ boundary of the fusaricidin BGC in strain PKB1, was not present in fusaricidin BGC of A21, indicating that is not necessary for fusaricidin synthesis. Fusaricidin extract from A21 significantly reduced gray mold disease incidence and severity on tomato. The mRNA levels for three patho-genesis-related proteins (PRs) revealed that treatment of tomato leaves with fusaricidin extract induced the expression of PR genes to different levels, suggesting that one reason for the reduction of gray mold infection by fusaricidin is induction of PR proteins, which lead to increased resistance to pathogens. This is the first report of the application of fusaricidins to control tomato gray mold and the comparative cluster analysis provides important molecular basis for research on fusaricidin biosynthesis.

关键词： antifungal activity     biosynthetic gene cluster     Botrytis cinerea     fusaricidin     Paenibacillus polymyxa    

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IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

null

《医学前沿（英文）》 2013年 第7卷 第1期   页码 126-131 doi: 10.1007/s11684-012-0236-0

摘要：

Recent evidence demonstrates the independent negative effects of sedentary behavior on health, but there are few objective measures of sedentary behavior. Most instruments measure physical activity and are not validated as measures of sedentary behavior. The purpose of this study was to evaluate the validity of the IDEEA system’s measures of sedentary and low-intensity physical activities: lying, reclining, sitting and standing. Thirty subjects, 14 men and 16 women, aged 23 to 77 years, body mass index (BMI) between 18 to 34 kg/m2, participated in the study. IDEEA measures were compared to direct observation for 27 activities: 10 lying in bed, 3 lying on a sofa, 1 reclining in a lawn chair, 10 sitting and 3 standing. Two measures are reported, the percentage of activities accurately identified and the percentage of monitored time that was accurately labeled by the IDEEA system for all subjects. A total of 91.6% of all observed activities were accurately identified and 92.4% of the total monitored time was accurately labeled. The IDEEA system did not accurately differentiate between lying and reclining so the two activities were combined for calculating accuracy. Using this approach the IDEEA system accurately identified 96% of sitting activities for a total of 97% of the monitored sitting time, 99% and 99% for standing, 87% and 88% for lying in bed, 87% and 88% for lying on the sofa, and 83% and 83% for reclining on a lawn chair. We conclude that the IDEEA system accurately recognizes sitting and standing positions, but it is less accurate in identifying lying and reclining positions. We recommend combining the lying and reclining activities to improve accuracy. The IDEEA system enables researchers to monitor lying, reclining, sitting and standing with a reasonable level of accuracy and has the potential to advance the science of sedentary behaviors and low-intensity physical activities.

关键词： IDEEA     activity monitor     sedentary behavior    

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Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 482-489 doi: 10.1007/s11705-013-1342-5

摘要： In the last years, sugar beet pectins have been the subject of several investigations involving extraction methodologies, chemical composition and functional properties. The structure of pectins, which depends on the extraction method, is decisive in their capacity to induce apoptosis on several cancer cell lines like colon, prostate and breast. In this work, sugar beet pectin extraction was performed in the following steps: lipid extraction with hexane, removal of soluble complex carbohydrates and proteins, and enzymatic treatment with amyloglucosidase, protease, and pectinase. The enzymatic treatment was carried out with Rohapect DA6L under the following conditions: 50°C, pH 4.0, 2% enzyme/substrate (E/S) ratio, 15 h, and a solid to liquid ratio of 1 ∶ 10. The pectic extract showed a degree of polymerization (DP) profile of 55.8% with DP≥7; 4.9% with DP6; 5.8% between DP2 and DP6 ; 4.7% with DP2; and 28.8% with DP1. The pectic extract was examined for its antiproliferative activity on the MCF-7 breast cancer cell line. At a concentration range of 12.5–25 mg/mL the pectic extract killed 80.6% of the cells, exhibiting a higher antiproliferative activity than 4-hydroxytamoxifen (4-OHT), a classical anticancer drug, which killed 56.5% of the cells.

关键词： pectic extracts     antiproliferative activity     breast cancer     enzymatic treatment    

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Low intensity ultrasound stimulates biological activity of aerobic activated sludge

LIU Hong, YAN Yixin, WANG Wenyan, YU Yongyong

《环境科学与工程前沿（英文）》 2007年 第1卷 第1期   页码 67-72 doi: 10.1007/s11783-007-0013-5

摘要： This work aims to explore a procedure to improve biological wastewater treatment efficiency using low intensity ultrasound. The aerobic activated sludge from a municipal wastewater treatment plant was used as the experimental material. Oxygen uptake rate (OUR) of the activated sludge (AS) was determined to indicate the changes of AS activity stimulated by ultrasound at 35 kHz for 0 40 min with ultrasonic intensities of 0 1.2 W/cm. The highest OUR was observed at the ultrasonic intensity of 0.3 W/cm and an irradiation period of 10 min; more than 15% increase was achieved immediately after sonication. More significantly, the AS activity stimulated by ultrasound could last 24 h after sonication, and the AS activity achieved its peak value within 8 h after sonication, or nearly 100% higher than the initial level after sonication. Therefore, to improve the wastewater treatment efficiency of bioreactors, ultrasound with an intensity of 0.3 W/cm could be employed to irradiate a part of the AS in the bioreactor for 10 min every 8 h.

关键词： sonication     irradiation     kHz     treatment efficiency     AS activity    

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preparation of Ag@AgCl/Bio-veins composites and their photocatalytic activity and recyclability

《化学科学与工程前沿（英文）》 2023年 第17卷 第7期   页码 906-917 doi: 10.1007/s11705-022-2273-9

摘要： The industrial application of nano-photocatalysts in wastewater treatment has been severely restricted for a long time due to their difficult separation, poor reusability, and low efficiency. In this work, a facile strategy was proposed to enhance the photocatalytic activity and recovery performance of Ag@AgCl nanocatalysts. Biological veins (Bio-veins) with a unique 3D porous construction were used as carriers for the in-situ growth of Ag@AgCl nanoparticles. Scanning electron microscopy results showed that the Ag@AgCl nanoparticles were uniformly loaded on the surface and interior of the Bio-veins, and the size of the Ag@AgCl nanoparticles immobilized on the Bio-veins (50–300 nm) was significantly smaller than Ag@AgCl obtained by the co-precipitation method (1–3 μm). The Bio-veins played a vital role in the photocatalysis reaction system. The degradation efficiency of the Ag@AgCl/Bio-veins(CI4) was up to 3.50 times as high as pure Ag@AgCl. Furthermore, the composites also exhibited excellent recyclability and stability under both visible and solar light. This work provided a suitable strategy for nano-photocatalysts for practical application and may also offer new possibilities for the high-value utilization of biomass materials.

关键词： Ag@AgCl     biological veins     photocatalytic activity     recyclability    

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Effect of 2-butenal manufacture wastewater to methanogenic activity and microbial community

Guangqing Song, Hongbo Xi, Xiumei Sun, Yudong Song, Yuexi Zhou

《环境科学与工程前沿（英文）》 2018年 第12卷 第5期 doi: 10.1007/s11783-018-1056-5

摘要：

The inhibition ratio sharply increased with the increasing COD.

The absorbance of UV-vis at 420 nm showed a linear correlation with the SMA.

The molecular structure of EPS has changed when COD was 9585 mg/L.

Illumina Miseq sequencing was employed to reveal the microbial composition.

关键词： 2-butenal manufacture wastewater     Methanogenic activity     Specific methanogenic activity (SMA)     Extracellular polymeric substance (EPS)     Microbial community    

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Antithrombin deficiency and decreased protein C activity in a young man with venous thromboembolism:

null

《医学前沿（英文）》 2018年 第12卷 第3期   页码 319-323 doi: 10.1007/s11684-017-0553-4

摘要：

Antithrombin and protein C are two crucial members in the anticoagulant system and play important roles in hemostasis. Mutations in and lead to deficiency or dysfunction of the two proteins, which could result in venous thromboembolism (VTE). Here, we report a Chinese 22-year-old young man who developed recurrent and serious VTE in cerebral veins, visceral veins, and deep veins of the lower extremity. Laboratory tests and direct sequencing of and were conducted for the patient and his family members. Coagulation tests revealed that the patient presented type I antithrombin deficiency combined with decreased protein C activity resulting from a small insertion mutation c.848_849insGATGT in and a short deletion variant c.572_574delAGA in . This combination of the two mutations was absent in 400 healthy subjects each from southern and northern China. Then, we summarized all the mutations of the and gene reported in the Chinese Han population. This study demonstrates that the combination of antithrombin deficiency and decreased protein C activity can result in severe VTE and that the coexistence of different genetic factors may increase the risk of VTE.

关键词： antithrombin deficiency     protein C activity     mutation     variant     venous thromboembolism     anticoagulants    

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fungal diseases in patients with hematological malignancies undergoing chemotherapy: China Assessment of Antifungal

Ling Wang, Ying Wang, Jiong Hu, Yuqian Sun, He Huang, Jing Chen, Jianyong Li, Jun Ma, Juan Li, Yingmin Liang, Jianmin Wang, Yan Li, Kang Yu, Jianda Hu, Jie Jin, Chun Wang, Depei Wu, Yang Xiao, Xiaojun Huang

《医学前沿（英文）》 2019年 第13卷 第3期   页码 365-377 doi: 10.1007/s11684-018-0641-0

摘要： Invasive fungal disease (IFD) is a major infectious complication in patients with hematological malignancies. In this study, we examined 4889 courses of chemotherapy in patients with hematological diseases to establish a training dataset ( =3500) by simple random sampling to develop a weighted risk score for proven or probable IFD through multivariate regression, which included the following variables: male patients, induction chemotherapy for newly diagnosed or relapsed disease, neutropenia, neutropenia longer than 10 days, hypoalbuminemia, central-venous catheter, and history of IFD. The patients were classified into three groups, which had low (0–10, ~1.2%), intermediate (11–15, 6.4%), and high risk (>15, 17.5%) of IFD. In the validation set ( =1389), the IFD incidences of the groups were ~1.4%, 5.0%, and 21.4%. In addition, we demonstrated that anti-fungal prophylaxis offered no benefits in low-risk patients, whereas benefits were documented in intermediate (2.1% vs. 6.6%, =0.007) and high-risk patients (8.4% vs. 23.3%, =0.007). To make the risk score applicable for clinical settings, a pre-chemo risk score that deleted all unpredictable factors before chemotherapy was established, and it confirmed that anti-fungal prophylaxis was beneficial in patients with intermediate and high risk of IFD. In conclusion, an objective, weighted risk score for IFD was developed, and it may be useful in guiding antifungal prophylaxis.

关键词： invasive fungal diseases     hematological malignancies     chemotherapy     risk score     prophylaxis    

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A survey of physical activity among urban women in China

Shilin DENG MD, Tongyuan LIU,

《医学前沿（英文）》 2009年 第3卷 第4期   页码 463-469 doi: 10.1007/s11684-009-0081-y

摘要： Few studies have been conducted to assess the level of physical activity (PA) of women in China. The purpose of this study was to describe the prevalence of PA among women in Wuhan and explore sociodemographic and behavioral correlation to PA for the population. A total of 1359 community-dwelling women (42.9713.60 years old) participated in this study. The long-version IPAQ was used to define the level of PA. 45.7% of women were considered physically active, and 27.5% were vigorously active. The proportion of physical inactivity was around 26.8%. The total and 4 domains of PA showed significant age, education level, and occupation variation. PA tended to be lower as the age declined. PA in transportation, housework, leisure time, and the total tended to be the lowest or the second lowest among the women aged 18–35 years old. PA tended to be lower as the level of education increased. Among the 5 indices, PAwas the lowest among women with college education, especially those with postgraduate education. PA tended to be the lowest among the women of office staff and instructor or technician. Generally, the total and 4 domains of PA showed significant age, education level, and occupation variation. Physical inactivity appears to be more common among younger women, or college-educated women, office ladies, and female instructor and technicians.

关键词： physical activity     urban women     China    

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Probing the catalytic activity of M-N

Fan Ge, Qingan Qiao, Xin Chen, You Wu

《化学科学与工程前沿（英文）》 2021年 第15卷 第5期   页码 1206-1216 doi: 10.1007/s11705-020-2017-7

摘要： In this work, the detailed oxygen reduction reaction (ORR) catalytic performance of M-N O (M= Fe, Co, and Ni; = 1–4) has been explored via the detailed density functional theory method. The results suggest that the formation energy of M-N O shows a good linear relationship with the number of doped O atoms. The adsorption manner of O on M-N O changed from end-on ( = 1 and 2) to side-on ( = 3 and 4), and the adsorption strength gradually increased. Based on the results for binding strength of ORR intermediates and the Gibbs free energy of ORR steps on the studied catalysts, we screened out two highly active ORR catalysts, namely Co-N O and Ni-N O , which possess very small overpotentials of 0.27 and 0.32 V, respectively. Such activities are higher than the precious Pt catalyst. Electronic structure analysis reveals one of the reasons for the higher activity of Co-N O and Ni-N O is that they have small energy gaps and moderate highest occupied molecular orbital energy levels. Furthermore, the results of the density of states reveal that the O doping can improve the electronic structure of the original catalyst to tune the adsorption of the ORR intermediates.

关键词： M-N-C catalyst     oxygen doping     oxygen reduction reaction     catalytic activity     density functional theory    

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Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

《化学科学与工程前沿（英文）》 2015年 第9卷 第1期   页码 105-113 doi: 10.1007/s11705-015-1502-x

摘要： The phase behavior of twelve synthesized -sitosteryl fatty acid esters with acyl moieties with different chain lengths (C2:0-C18:0) and different degrees of unsaturation (C18:1-C18:3) were investigated in pure and mixed Langmuir monolayers with phospholipids. The surface-pressure isotherms showed that short chain -sitosteryl fatty acid esters gave smaller mean molecular areas and had decreased monolayer stability and the long chain steryl esters did not produce collapsed plateaus. All the steryl esters displayed strong condensing effects, but there was a pronounced structural dependency: medium chain esters (C8 and C10) were less efficient than short and long chain esters. Atomic force microscopy imaging demonstrated that monolayers mixed with dipalmitoyl phosphatidylcholine (DPPC) displayed both DPPC-rich and steryl lipid-rich domains. However, the height and area differences between the two phases and the roughness and morphologic patterns were very dependent on the steryl lipid concentrations as well as the length, the degree of unsaturation and the molecular conformations of the acyl segments. These findings not only provide a better understanding of the interactions between phytosteryl hydrophobic derivatives and biomembranes, but also may be of general use for the design and engineering of phytosterol structural derivations for specific food and pharmaceutical applications.

关键词： β-sitosteryl fatty acid esters     dipalmitoyl phosphatidylcholine     Langmuir monolayer     condensing effect     structure-activity relationship    

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标题 作者 时间 类型 操作

The synthesis of 6-(tert-butyl)-8-fluoro-2,3-dimethylquinoline carbonate derivatives and their antifungalactivity against Pyricularia oryzae

Long Cheng, Ruirui Zhang, Hongke Wu, Xinghai Liu, Tianming Xu

期刊论文

硫乳霉素衍生物的合成、表征和抗真菌评价

吕培, 陈议亮, 王大伟, 吴祥为, 李庆孝, 华日茂

期刊论文

Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing

Xiaoming Ding, Zhiwen Zhai, Luping Lv, Zhaohui Sun, Xinghai Liu

期刊论文

Antifungal and antibacterial functions of medicinal leech recombinant destabilase-lysozyme and its heated-up

T. G. YUDINA, Danyang GUO, N. F. PISKUNKOVA, I. B. PAVLOVA, L. L. ZAVALOVA, I. P. BASKOVA

期刊论文

Fusaricidins in

Weicheng LIU, Xiaoli WU, Xuelian BAI, Hong ZHANG, Dan DONG, Taotao ZHANG, Huiling WU

期刊论文

IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

null

期刊论文

Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

期刊论文

Low intensity ultrasound stimulates biological activity of aerobic activated sludge

LIU Hong, YAN Yixin, WANG Wenyan, YU Yongyong

期刊论文

preparation of Ag@AgCl/Bio-veins composites and their photocatalytic activity and recyclability

期刊论文

Effect of 2-butenal manufacture wastewater to methanogenic activity and microbial community

Guangqing Song, Hongbo Xi, Xiumei Sun, Yudong Song, Yuexi Zhou

期刊论文

Antithrombin deficiency and decreased protein C activity in a young man with venous thromboembolism:

null

期刊论文

fungal diseases in patients with hematological malignancies undergoing chemotherapy: China Assessment of Antifungal

Ling Wang, Ying Wang, Jiong Hu, Yuqian Sun, He Huang, Jing Chen, Jianyong Li, Jun Ma, Juan Li, Yingmin Liang, Jianmin Wang, Yan Li, Kang Yu, Jianda Hu, Jie Jin, Chun Wang, Depei Wu, Yang Xiao, Xiaojun Huang

期刊论文

A survey of physical activity among urban women in China

Shilin DENG MD, Tongyuan LIU,

期刊论文

Probing the catalytic activity of M-N

Fan Ge, Qingan Qiao, Xin Chen, You Wu

期刊论文

Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

期刊论文