Lipopeptides are currently re-emerging as an interesting subgroup in the peptide research field, having historical applications as antibacterial and antifungal agents and new potential applications as antiviral, antit...Lipopeptides are currently re-emerging as an interesting subgroup in the peptide research field, having historical applications as antibacterial and antifungal agents and new potential applications as antiviral, antitumor, immune-modulating and cell-penetrating compounds. However, due to their specific structure, chromatographic analysis often requires special buffer systems or the use of trifluoroacetic acid, limiting mass spectrometry detection. Therefore, we used a traditional aqueous/acetonitrile based gradient system, containing 0.1% （m/v） formic acid, to separate four pharmaceutically relevant lipopeptides （polymyxin B1, caspofungin, daptomycin and gramicidin A1）, which were selected based upon hierarchical cluster analysis （HCA） and principal component analysis （PCA）.In total, the performance of four different C18 columns, including one UPLC column, were evaluated using two parallel approaches. First, a Derringer desirability function was used, whereby six single and multiple chromatographic response values were rescaled into one overall D-value per column. Using this approach, the YMC Pack Pro C18 column was ranked as the best column for general MS-compatible lipopeptide separation. Secondly, the kinetic plot approach was used to compare the different columns at different flow rate ranges. As the optimal kinetic column performance is obtained at its maximal pressure, the length elongation factor λ（Pmax/Pexp） was used to transform the obtained experimental data （retention times and peak capacities） and construct kinetic performance limit （KPL） curves, allowing a direct visual and unbiased comparison of the selected columns, whereby the YMC Triart C18 UPLC and ACE C18 columns performed as best. Finally, differences in column performance and the （dis）advantages of both approaches are discussed.展开更多
For some specific catalytic reaction, how to construct active sites on two dimensional materials is of great scientific significance. Dye-sensitized solar cells（DSCs） can be viewed as one representative photovoltaic...For some specific catalytic reaction, how to construct active sites on two dimensional materials is of great scientific significance. Dye-sensitized solar cells（DSCs） can be viewed as one representative photovoltaics because in which liquid electrolyte with triiodide/iodide（I;/I;） as redox couples are involved. In this study, amino-functionalized graphene（AFG） has been designed according to theoretically analyzing iodine reduction reaction（IRR） processes and rationally screening the volcanic plot. Then, such AFG has been successfully synthesized by a simple hydrothermal method and shows high electrocatalytic activity towards IRR when serving as counter electrode in DSCs. Finally, a high conversion efficiency of 7.39% by AFG-based DSCs was obtained, which is close to that using Pt as counter electrode.展开更多
Outlier detection techniques play a vital role in exploring unusual data of extreme events that have a critical effect considerably in the modeling and forecasting of functional data. The functional methods have an ef...Outlier detection techniques play a vital role in exploring unusual data of extreme events that have a critical effect considerably in the modeling and forecasting of functional data. The functional methods have an effective way of identifying outliers graphically, which might not be visible through the original data plot in classical analysis. This study’s main objective is to detect the extreme rainfall events using functional outliers detection methods depending on the depth and density functions. In order to identify the unusual events of rainfall variation over long time intervals, this work conducts based on the average monthly rainfall of the Taiz region from 1998 to 2019. Data were extracted from the Tropical Rainfall Measuring Mission and the analysis has been processed by R software. The approaches applied in this study involve rainbow plots, functional highest density region box-plot as well as functional bag-plot. According to the current results, the functional density box-plot method has proven effective in detecting outlier compared to the functional depth bag-plot method. In conclusion, the results of the current study showed that the rainfall over the Taiz region during the last two decades was influenced by the extreme events of years 1999, 2004, 2005, and 2009.展开更多
基金funded by PhD grants of ‘Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen)’ (Nos. 101529 (MD) and 121512 (BG))The Special Research Fund (BOF) of Ghent University (01J22510 (EW) and 01D38811 (SS))
文摘Lipopeptides are currently re-emerging as an interesting subgroup in the peptide research field, having historical applications as antibacterial and antifungal agents and new potential applications as antiviral, antitumor, immune-modulating and cell-penetrating compounds. However, due to their specific structure, chromatographic analysis often requires special buffer systems or the use of trifluoroacetic acid, limiting mass spectrometry detection. Therefore, we used a traditional aqueous/acetonitrile based gradient system, containing 0.1% （m/v） formic acid, to separate four pharmaceutically relevant lipopeptides （polymyxin B1, caspofungin, daptomycin and gramicidin A1）, which were selected based upon hierarchical cluster analysis （HCA） and principal component analysis （PCA）.In total, the performance of four different C18 columns, including one UPLC column, were evaluated using two parallel approaches. First, a Derringer desirability function was used, whereby six single and multiple chromatographic response values were rescaled into one overall D-value per column. Using this approach, the YMC Pack Pro C18 column was ranked as the best column for general MS-compatible lipopeptide separation. Secondly, the kinetic plot approach was used to compare the different columns at different flow rate ranges. As the optimal kinetic column performance is obtained at its maximal pressure, the length elongation factor λ（Pmax/Pexp） was used to transform the obtained experimental data （retention times and peak capacities） and construct kinetic performance limit （KPL） curves, allowing a direct visual and unbiased comparison of the selected columns, whereby the YMC Triart C18 UPLC and ACE C18 columns performed as best. Finally, differences in column performance and the （dis）advantages of both approaches are discussed.
基金Financial support provided by the National Natural Science Foundation of China (Grant No. 51402036, 21373042)International Science & Technology Cooperation Program of China (Grant No. 2013DFA51000)+1 种基金the Fundamental Research Funds for the Central Universities (Grant No. DUT15YQ109)supported by the State Key Laboratory of Fine Chemicals of China
文摘For some specific catalytic reaction, how to construct active sites on two dimensional materials is of great scientific significance. Dye-sensitized solar cells（DSCs） can be viewed as one representative photovoltaics because in which liquid electrolyte with triiodide/iodide（I;/I;） as redox couples are involved. In this study, amino-functionalized graphene（AFG） has been designed according to theoretically analyzing iodine reduction reaction（IRR） processes and rationally screening the volcanic plot. Then, such AFG has been successfully synthesized by a simple hydrothermal method and shows high electrocatalytic activity towards IRR when serving as counter electrode in DSCs. Finally, a high conversion efficiency of 7.39% by AFG-based DSCs was obtained, which is close to that using Pt as counter electrode.
文摘Outlier detection techniques play a vital role in exploring unusual data of extreme events that have a critical effect considerably in the modeling and forecasting of functional data. The functional methods have an effective way of identifying outliers graphically, which might not be visible through the original data plot in classical analysis. This study’s main objective is to detect the extreme rainfall events using functional outliers detection methods depending on the depth and density functions. In order to identify the unusual events of rainfall variation over long time intervals, this work conducts based on the average monthly rainfall of the Taiz region from 1998 to 2019. Data were extracted from the Tropical Rainfall Measuring Mission and the analysis has been processed by R software. The approaches applied in this study involve rainbow plots, functional highest density region box-plot as well as functional bag-plot. According to the current results, the functional density box-plot method has proven effective in detecting outlier compared to the functional depth bag-plot method. In conclusion, the results of the current study showed that the rainfall over the Taiz region during the last two decades was influenced by the extreme events of years 1999, 2004, 2005, and 2009.
