The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the...The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the computational cost and higher precision to the best for large systems. The performance of DFT, double-hybrid DFT, and high-level com- posite methods are examined. The tested sets contain monocyclic and polycyclic aromatic molecules, branched hydrocarbons, small inorganic molecules, etc. The results show that the mPW2PLYP and G4MP2 methods achieve reasonable agreement with the benchmark val- ues for most tested molecules, and the mean absolute deviations are 2.43 and 1.96 kcal/mol after excluding the BDEs of branched hydrocarbons. We recommend the G4MP2 is the most appropriate method for small systems (atoms number≤20); the double-hybrid DFT methods are advised for large aromatic molecules in medium size (20≤atoms number≤50), and the double-hybrid DFT methods with empirical dispersion correction are recommended for long-chain and branched hydrocarbons in the same size scope; the DFT methods are ad- vised to apply for large systems (atoms number〉50), and the M06-2X and B3P86 methods are also favorable. Moreover, the differences of optimized geometry of different methods are discussed and the effects of basis sets for various methods are investigated.展开更多
Maintenance of the Golgi apparatus (GA) structure and function depends on Golgi matrix proteins. The posttranslational modification of Golgi proteins such as phosphorylation of members of the golgin and GRASP famili...Maintenance of the Golgi apparatus (GA) structure and function depends on Golgi matrix proteins. The posttranslational modification of Golgi proteins such as phosphorylation of members of the golgin and GRASP families is important for determining Golgi architecture. Some Golgi proteins including golgin-84 are also known to be methylated, but the function of golgin methylation remains unclear. Here, we show that the protein arginine methyltransferase 5 (PRMT5) localizes to the GA and forms complexes with several components involved in GA ribbon formation and vesicle tethering. PRMT5 interacts with the golgin GM130, and depletion of PRMT5 causes defects in Golgi ribbon formation. Furthermore, PRMT5 methylates N-terminal arginines in GM130, and such arginine methylation appears critical for GA ribbon formation. Our findings reveal a molecular mechanism by which PRMT5-dependent arginine methylation of GM130 controls the maintenance of GA architecture.展开更多
For the high sulfur refractory gold concentrate with 41.82%sulfur and 15.12 g/t gold,of which 82.11%was wrapped in sulfide,a well-controlled stirring tank leaching was carried out to improve the bio-oxidation efficien...For the high sulfur refractory gold concentrate with 41.82%sulfur and 15.12 g/t gold,of which 82.11%was wrapped in sulfide,a well-controlled stirring tank leaching was carried out to improve the bio-oxidation efficiency.Results show that bio-oxidation pretreatment can greatly improve the gold recovery rate of high-sulfur refractory gold concentrate,and at the optimum pH 1.3 in this study,compared with the process without pH control,the oxidation rate of sulfur increased from 79.31%to 83.29%,while the recovery rate of gold increased from 76.54%to 83.23%;under this condition the activity of mixed culture could be sustained and the formation of jarosite could diminish.The results also displayed that for the high sulfur refractory gold concentrate,the recovery of gold is positively correlated with the oxidation rate of sulfur,and the recovery rate of gold increases with the increase of sulfur oxidation rate within a certain range.展开更多
Purified terephthalic acid(PTA) is an important chemical raw material. P-xylene(PX) is transformed to terephthalic acid(TA) through oxidation process and TA is refined to produce PTA. The PX oxidation reaction is a co...Purified terephthalic acid(PTA) is an important chemical raw material. P-xylene(PX) is transformed to terephthalic acid(TA) through oxidation process and TA is refined to produce PTA. The PX oxidation reaction is a complex process involving three-phase reaction of gas, liquid and solid. To monitor the process and to improve the product quality, as well as to visualize the fault type clearly, a fault diagnosis method based on selforganizing map(SOM) and high dimensional feature extraction method, local tangent space alignment(LTSA),is proposed. In this method, LTSA can reduce the dimension and keep the topology information simultaneously,and SOM distinguishes various states on the output map. Monitoring results of PX oxidation reaction process indicate that the LTSA–SOM can well detect and visualize the fault type.展开更多
We describe a rare case of the transformation of a dysplastic nodule into well-differentiated hepato- cellular carcinoma (HCC) in a 56-year-old man with alcoholrelated liver cirrhosis. Ultrasound (US) disclosed a 10 m...We describe a rare case of the transformation of a dysplastic nodule into well-differentiated hepato- cellular carcinoma (HCC) in a 56-year-old man with alcoholrelated liver cirrhosis. Ultrasound (US) disclosed a 10 mm hypoechoic nodule and contrast enhanced US revealed a hypovascular nodule, both in segment seven. US-guided biopsy revealed a high-grade dysplastic nodule characterized by enhanced cellularity with a high N/C ratio, increased cytoplasmic eosinophilia, and slight cell atypia. One year later, the US pattern of the nodule changed from hypoechoic to hyperechoic without any change in size or hypovascularity. US-guided biopsy revealed well-differentiated HCC of the same features as shown in the first biopsy, but with additional pseudoglandular formation and moderate cell atypia. Moreover, immunohistochemical staining of cyclase- associated protein 2, a new molecular marker of well- differentiated HCC, turned positive. This is the first case of multistep hepatocarcinogenesis from a dysplastic nodule to well-differentiated HCC within one year in alcohol-related liver cirrhosis.展开更多
The ideological and political education in vocational colleges has "employment oriented", "practicability" and "practicalness" and other features, while facing the practical difficulties that the cultural spirit...The ideological and political education in vocational colleges has "employment oriented", "practicability" and "practicalness" and other features, while facing the practical difficulties that the cultural spirit is insufficient, the specialization of the teachers is not strong, and the students lack their own active participation and so on. The higher vocational colleges must deepen the concepts of running higher vocational education, strengthen the construction of the team of the ideological and political theory education, pay more attention to the combination of the ideological and political education with the practice, cultivate the people-oriented model of the ideological and political education, and improve the effectiveness of the ideological and political education.展开更多
The cultural form of entrepreneurial university has the academic entrepreneurial characteristics, which agrees with the background of economic era. MIT and Stanford University are the models of American entrepreneuria...The cultural form of entrepreneurial university has the academic entrepreneurial characteristics, which agrees with the background of economic era. MIT and Stanford University are the models of American entrepreneurial universities, and the spiritual culture, system culture, material culture and behavior culture elements of academic entrepreneurial characteristics depend on each other, influence each other and have a good cycle of cultural form, which is the internal driving mechanism of MIT and Stanford University towards entrepreneurial university development. In this cultural structure, the contradictory unity of academic and entrepreneurship, tile interaction between science and hummaity, the mutual promotion of innovation and entrepreneurship have the enlightenment significance for the construction of entrepreneurial university.展开更多
Controllable self-assembly of noble metal nanocrystals is of broad interest for the development of highly active electrocatalysts. Here we report an efficient arginine-mediated hydrothermal approach for the high-yield...Controllable self-assembly of noble metal nanocrystals is of broad interest for the development of highly active electrocatalysts. Here we report an efficient arginine-mediated hydrothermal approach for the high-yield synthesis of cube-like Pt nanoassemblies (Pt-CNAs) with porous cavities and rough surfaces based on the self-assembly of zero dimensional Pt nanocrystals. In this process, arginine acts as the reductant, structure directing agent, and linker between adjacent nanocrystals. Interestingly, the Pt-CNAs exhibit single-crystal structures with dominant {100} facets, as evidenced by X-ray diffraction. Based on electrocatalytic studies, the as-synthesized Pt-CNAs exhibit improved electrocatalytic activity as well as good stability and CO tolerance in the methanol oxidation reaction. The Pt-CNA's good performance is attributed to their unique morphology and surface structure. We believe that the synthetic strategy outlined here could be extended to other rationally designed monometallic or bimetallic nanoassemblies for use in high performance fuel cells.展开更多
It is always a bottleneck to design an effective algorithm for linear time-varying systems in engineering applications.For a class of systems,whose coefficients matrix is based on time-varying polynomial,a modified hi...It is always a bottleneck to design an effective algorithm for linear time-varying systems in engineering applications.For a class of systems,whose coefficients matrix is based on time-varying polynomial,a modified highly precise direct integration(VHPD-T method)was presented.Through introducing new variables and expanding dimensions,the system can be transformed into a timeinvariant system,in which the transfer matrix can be computed for once and used forever with a highly precise direct integration method.The method attains higher precision than the common methods(e.g.RK4 and power series)and high efficiency in computation.Some numerical examples demonstrate the validity and efficiency of the method proposed.展开更多
Batesian mimics are harmless prey species that resemble dangerous ones (models), and thus receive protection from predators. How such adaptive resemblances evolve is a classical problem in evolutionary biology. Mimi...Batesian mimics are harmless prey species that resemble dangerous ones (models), and thus receive protection from predators. How such adaptive resemblances evolve is a classical problem in evolutionary biology. Mimicry is typically thought to be difficult to evolve, especially if the model and mimic produce the convergent phenotype through different proximate mecha- nisms. However, mimicry may evolve more readily if mimic and model share similar pathways for producing the convergent phenotype. In such cases, these pathways can be co-opted in ancestral mimic populations to produce high-fidelity mimicry with- out the need for major evolutionary innovations. Here, we show that a Batesian mimic, the scarlet kingsnake Larnpropeltis elap-soides, produces its coloration using the same physiological mechanisms as does its model, the eastern coral snake Micrurus fulvius. Therefore, precise color mimicry may have been able to evolve easily in this system. Generally, we know relatively little about the proximate mechanisms underlying mimicry .展开更多
文摘The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the computational cost and higher precision to the best for large systems. The performance of DFT, double-hybrid DFT, and high-level com- posite methods are examined. The tested sets contain monocyclic and polycyclic aromatic molecules, branched hydrocarbons, small inorganic molecules, etc. The results show that the mPW2PLYP and G4MP2 methods achieve reasonable agreement with the benchmark val- ues for most tested molecules, and the mean absolute deviations are 2.43 and 1.96 kcal/mol after excluding the BDEs of branched hydrocarbons. We recommend the G4MP2 is the most appropriate method for small systems (atoms number≤20); the double-hybrid DFT methods are advised for large aromatic molecules in medium size (20≤atoms number≤50), and the double-hybrid DFT methods with empirical dispersion correction are recommended for long-chain and branched hydrocarbons in the same size scope; the DFT methods are ad- vised to apply for large systems (atoms number〉50), and the M06-2X and B3P86 methods are also favorable. Moreover, the differences of optimized geometry of different methods are discussed and the effects of basis sets for various methods are investigated.
文摘Maintenance of the Golgi apparatus (GA) structure and function depends on Golgi matrix proteins. The posttranslational modification of Golgi proteins such as phosphorylation of members of the golgin and GRASP families is important for determining Golgi architecture. Some Golgi proteins including golgin-84 are also known to be methylated, but the function of golgin methylation remains unclear. Here, we show that the protein arginine methyltransferase 5 (PRMT5) localizes to the GA and forms complexes with several components involved in GA ribbon formation and vesicle tethering. PRMT5 interacts with the golgin GM130, and depletion of PRMT5 causes defects in Golgi ribbon formation. Furthermore, PRMT5 methylates N-terminal arginines in GM130, and such arginine methylation appears critical for GA ribbon formation. Our findings reveal a molecular mechanism by which PRMT5-dependent arginine methylation of GM130 controls the maintenance of GA architecture.
基金Projects(51704028,51574036)supported by the National Natural Science Foundation of ChinaProject supported by Program for Key Laboratory of Biohydrometallurgy of Ministry of Education Foundation,China。
文摘For the high sulfur refractory gold concentrate with 41.82%sulfur and 15.12 g/t gold,of which 82.11%was wrapped in sulfide,a well-controlled stirring tank leaching was carried out to improve the bio-oxidation efficiency.Results show that bio-oxidation pretreatment can greatly improve the gold recovery rate of high-sulfur refractory gold concentrate,and at the optimum pH 1.3 in this study,compared with the process without pH control,the oxidation rate of sulfur increased from 79.31%to 83.29%,while the recovery rate of gold increased from 76.54%to 83.23%;under this condition the activity of mixed culture could be sustained and the formation of jarosite could diminish.The results also displayed that for the high sulfur refractory gold concentrate,the recovery of gold is positively correlated with the oxidation rate of sulfur,and the recovery rate of gold increases with the increase of sulfur oxidation rate within a certain range.
基金Supported by the Major State Basic Research Development Program of China(2012CB720500)the National Natural Science Foundation of China(6133301021276078)+3 种基金the National Science Fund for Outstanding Young Scholars(61222303)the Fundamental Research Funds for the Central Universities,Shanghai Rising-Star Program(13QH1401200)the Program for New Century Excellent Talents in University(NCET-10-0885)Shanghai R&D Platform Construction Program(13DZ2295300)
文摘Purified terephthalic acid(PTA) is an important chemical raw material. P-xylene(PX) is transformed to terephthalic acid(TA) through oxidation process and TA is refined to produce PTA. The PX oxidation reaction is a complex process involving three-phase reaction of gas, liquid and solid. To monitor the process and to improve the product quality, as well as to visualize the fault type clearly, a fault diagnosis method based on selforganizing map(SOM) and high dimensional feature extraction method, local tangent space alignment(LTSA),is proposed. In this method, LTSA can reduce the dimension and keep the topology information simultaneously,and SOM distinguishes various states on the output map. Monitoring results of PX oxidation reaction process indicate that the LTSA–SOM can well detect and visualize the fault type.
文摘We describe a rare case of the transformation of a dysplastic nodule into well-differentiated hepato- cellular carcinoma (HCC) in a 56-year-old man with alcoholrelated liver cirrhosis. Ultrasound (US) disclosed a 10 mm hypoechoic nodule and contrast enhanced US revealed a hypovascular nodule, both in segment seven. US-guided biopsy revealed a high-grade dysplastic nodule characterized by enhanced cellularity with a high N/C ratio, increased cytoplasmic eosinophilia, and slight cell atypia. One year later, the US pattern of the nodule changed from hypoechoic to hyperechoic without any change in size or hypovascularity. US-guided biopsy revealed well-differentiated HCC of the same features as shown in the first biopsy, but with additional pseudoglandular formation and moderate cell atypia. Moreover, immunohistochemical staining of cyclase- associated protein 2, a new molecular marker of well- differentiated HCC, turned positive. This is the first case of multistep hepatocarcinogenesis from a dysplastic nodule to well-differentiated HCC within one year in alcohol-related liver cirrhosis.
文摘The ideological and political education in vocational colleges has "employment oriented", "practicability" and "practicalness" and other features, while facing the practical difficulties that the cultural spirit is insufficient, the specialization of the teachers is not strong, and the students lack their own active participation and so on. The higher vocational colleges must deepen the concepts of running higher vocational education, strengthen the construction of the team of the ideological and political theory education, pay more attention to the combination of the ideological and political education with the practice, cultivate the people-oriented model of the ideological and political education, and improve the effectiveness of the ideological and political education.
文摘The cultural form of entrepreneurial university has the academic entrepreneurial characteristics, which agrees with the background of economic era. MIT and Stanford University are the models of American entrepreneurial universities, and the spiritual culture, system culture, material culture and behavior culture elements of academic entrepreneurial characteristics depend on each other, influence each other and have a good cycle of cultural form, which is the internal driving mechanism of MIT and Stanford University towards entrepreneurial university development. In this cultural structure, the contradictory unity of academic and entrepreneurship, tile interaction between science and hummaity, the mutual promotion of innovation and entrepreneurship have the enlightenment significance for the construction of entrepreneurial university.
文摘Controllable self-assembly of noble metal nanocrystals is of broad interest for the development of highly active electrocatalysts. Here we report an efficient arginine-mediated hydrothermal approach for the high-yield synthesis of cube-like Pt nanoassemblies (Pt-CNAs) with porous cavities and rough surfaces based on the self-assembly of zero dimensional Pt nanocrystals. In this process, arginine acts as the reductant, structure directing agent, and linker between adjacent nanocrystals. Interestingly, the Pt-CNAs exhibit single-crystal structures with dominant {100} facets, as evidenced by X-ray diffraction. Based on electrocatalytic studies, the as-synthesized Pt-CNAs exhibit improved electrocatalytic activity as well as good stability and CO tolerance in the methanol oxidation reaction. The Pt-CNA's good performance is attributed to their unique morphology and surface structure. We believe that the synthetic strategy outlined here could be extended to other rationally designed monometallic or bimetallic nanoassemblies for use in high performance fuel cells.
基金supported by the National Natural Science Foundation of China(Grant No.50876066)
文摘It is always a bottleneck to design an effective algorithm for linear time-varying systems in engineering applications.For a class of systems,whose coefficients matrix is based on time-varying polynomial,a modified highly precise direct integration(VHPD-T method)was presented.Through introducing new variables and expanding dimensions,the system can be transformed into a timeinvariant system,in which the transfer matrix can be computed for once and used forever with a highly precise direct integration method.The method attains higher precision than the common methods(e.g.RK4 and power series)and high efficiency in computation.Some numerical examples demonstrate the validity and efficiency of the method proposed.
基金We thank Karin Pfennig, Ver6nica Rodriguez-Moncalvo, Lisa Bono, and three anonymous refe-rees for helpful comments. Antonio Serrato helped with specimen collection. Chris Willett and Erin Burch aided with spectroscopy, and Vicky Madden and Steven Ray provided TEM services. Ken Wray kindly furnished coral snake speci-mens. Animal research was conducted under UNC IACUC permit 11-108. Funding was provided by the National Science Foundation (DEB-1110385 and DEB - 1019479).
文摘Batesian mimics are harmless prey species that resemble dangerous ones (models), and thus receive protection from predators. How such adaptive resemblances evolve is a classical problem in evolutionary biology. Mimicry is typically thought to be difficult to evolve, especially if the model and mimic produce the convergent phenotype through different proximate mecha- nisms. However, mimicry may evolve more readily if mimic and model share similar pathways for producing the convergent phenotype. In such cases, these pathways can be co-opted in ancestral mimic populations to produce high-fidelity mimicry with- out the need for major evolutionary innovations. Here, we show that a Batesian mimic, the scarlet kingsnake Larnpropeltis elap-soides, produces its coloration using the same physiological mechanisms as does its model, the eastern coral snake Micrurus fulvius. Therefore, precise color mimicry may have been able to evolve easily in this system. Generally, we know relatively little about the proximate mechanisms underlying mimicry .