Conjugated linoleic acid (CLA) is a kind of fatty acid with physiological activities and potential application prospect. A synthesis method of conjugated linoleic acid and a purification technology were studied. CLA w...Conjugated linoleic acid (CLA) is a kind of fatty acid with physiological activities and potential application prospect. A synthesis method of conjugated linoleic acid and a purification technology were studied. CLA was prepared and purified by urea-complexation and conjugation using safflower oil as raw material. The purity of CLA and total recovery of the product was more than 95% and 48%, respectively. The main isomers produced in alkali-catalyzed conjugation were identified by gas chromatography (GC) linked to mass spectrometry (MS) and Fourier transform infrared spectroscopy (FTIR). The total amount of the two main isomers (9cis, 11trons-and 10trans, 12cis-CLA) determined by GC was more than 90% of the product.展开更多
In mobile cloud computing(MCC) systems,both the mobile access network and the cloud computing network are heterogeneous,implying the diverse configurations of hardware,software,architecture,resource,etc.In such hetero...In mobile cloud computing(MCC) systems,both the mobile access network and the cloud computing network are heterogeneous,implying the diverse configurations of hardware,software,architecture,resource,etc.In such heterogeneous mobile cloud(HMC) networks,both radio and cloud resources could become the system bottleneck,thus designing the schemes that separately and independently manage the resources may severely hinder the system performance.In this paper,we aim to design the network as the integration of the mobile access part and the cloud computing part,utilizing the inherent heterogeneity to meet the diverse quality of service(QoS)requirements of tenants.Furthermore,we propose a novel cross-network radio and cloud resource management scheme for HMC networks,which is QoS-aware,with the objective of maximizing the tenant revenue while satisfying the QoS requirements.The proposed scheme is formulated as a restless bandits problem,whose "indexability" feature guarantees the low complexity with scalable and distributed characteristics.Extensive simulation results are presented to demonstrate the significant performance improvement of the proposed scheme compared to the existing ones.展开更多
The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additiona...The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additional oxygen atom in C78 and predict the spectroscopic characteristics of the isomers. The most stable geometry of C78O is the 73,78-C78O molecule with an epoxide structure. The added 73,78-bond is located between two hexagons （6-6） and is intersected by the shortest C2 axis in C78 with group C2v. Atomic orbitals of the oxygen atom play an important role in lowering HOMO energy of 73,78-C78O. Compared with C78 with group C2v, the blue-shift in the electronic absorption spectrum for 73,78-C78O was observed. The reason of the blue-shift effect was discussed, and the electronic transitions were assigned based on the theoretical calculations.展开更多
The rapid development of network technology and its evolution toward heterogeneous networks has increased the demand to support automatic monitoring and the management of heterogeneous wireless communication networks....The rapid development of network technology and its evolution toward heterogeneous networks has increased the demand to support automatic monitoring and the management of heterogeneous wireless communication networks.This paper presents a multilevel pattern mining architecture to support automatic network management by discovering interesting patterns from telecom network monitoring data.This architecture leverages and combines existing frequent itemset discovery over data streams,association rule deduction,frequent sequential pattern mining,and frequent temporal pattern mining techniques while also making use of distributed processing platforms to achieve high-volume throughput.展开更多
Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-ly...Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-lying isomers of(TiO_(2))_(n)(n=2-8)clusters with up to 10000 random sampling initial structures.These structures were optimized by the PM6 method,followed by density functional theory calculations.With this strategy,we have located many more low-lying isomers than thosereported previously.The number of isomers increases dramatically with the size of the cluster,and about 50 isomers were found for(TiO_(2))_(7) and(TiO_(2))_(8) with the energy within 30 kcal/mol.Furthermore,new lowest isomers have been located for(TiO_(2))_(5) and(TiO_(2))_(8),and isomers with three terminal oxygen atoms,five coordinated oxygen atoms as well as six coordinated titanium atoms have been located.Our work highlights the diverse structural features and a large number of isomers of small TiO_(2) clusters.展开更多
Diarylethene derivatives are a class of fascinating photochromic materials because of their open and closed isomers with different absorption spectra and many other characteristics.To reveal the detailed structure and...Diarylethene derivatives are a class of fascinating photochromic materials because of their open and closed isomers with different absorption spectra and many other characteristics.To reveal the detailed structure and optoelectronic properties as well as the effect of metal centres and substituents on them,a systematic study on a series of diarylethene derivatives and their Re(I),Pt(II),and Ir(III) complexes was performed via theoretical calculation.The optimized geometries,electronic properties,frontier molecular orbitals,ionization potentials,electron affinities,reorganization energies,and absorption spectra for both of their open-and closed-isomers have been calculated and analyzed.Metal-coordination and substituents exhibit great influence on the photophysical,charge-injection and-transporting characteristics.In addition,the binding of F-with the boron atom of dimesitylboryl group through Lewis acid/base interactions also induces great changes of structural,photophysical and electronic properties for these diarylethene derivatives,and consequently the compound with the substituent of dimesitylboryl group can be used as selective near-infrared phosphorescent F-probe.展开更多
文摘Conjugated linoleic acid (CLA) is a kind of fatty acid with physiological activities and potential application prospect. A synthesis method of conjugated linoleic acid and a purification technology were studied. CLA was prepared and purified by urea-complexation and conjugation using safflower oil as raw material. The purity of CLA and total recovery of the product was more than 95% and 48%, respectively. The main isomers produced in alkali-catalyzed conjugation were identified by gas chromatography (GC) linked to mass spectrometry (MS) and Fourier transform infrared spectroscopy (FTIR). The total amount of the two main isomers (9cis, 11trons-and 10trans, 12cis-CLA) determined by GC was more than 90% of the product.
基金supported in part by the National Natural Science Foundation of China under Grant 61101113,61372089 and 61201198 the Beijing Natural Science Foundation under Grant 4132007,4132015 and 4132019 the Research Fund for the Doctoral Program of Higher Education of China under Grant 20111103120017
文摘In mobile cloud computing(MCC) systems,both the mobile access network and the cloud computing network are heterogeneous,implying the diverse configurations of hardware,software,architecture,resource,etc.In such heterogeneous mobile cloud(HMC) networks,both radio and cloud resources could become the system bottleneck,thus designing the schemes that separately and independently manage the resources may severely hinder the system performance.In this paper,we aim to design the network as the integration of the mobile access part and the cloud computing part,utilizing the inherent heterogeneity to meet the diverse quality of service(QoS)requirements of tenants.Furthermore,we propose a novel cross-network radio and cloud resource management scheme for HMC networks,which is QoS-aware,with the objective of maximizing the tenant revenue while satisfying the QoS requirements.The proposed scheme is formulated as a restless bandits problem,whose "indexability" feature guarantees the low complexity with scalable and distributed characteristics.Extensive simulation results are presented to demonstrate the significant performance improvement of the proposed scheme compared to the existing ones.
文摘The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v. This calculation can simulate positions of an additional oxygen atom in C78 and predict the spectroscopic characteristics of the isomers. The most stable geometry of C78O is the 73,78-C78O molecule with an epoxide structure. The added 73,78-bond is located between two hexagons （6-6） and is intersected by the shortest C2 axis in C78 with group C2v. Atomic orbitals of the oxygen atom play an important role in lowering HOMO energy of 73,78-C78O. Compared with C78 with group C2v, the blue-shift in the electronic absorption spectrum for 73,78-C78O was observed. The reason of the blue-shift effect was discussed, and the electronic transitions were assigned based on the theoretical calculations.
基金funded by the Enterprise Ireland Innovation Partnership Programme with Ericsson under grant agreement IP/2011/0135[6]supported by the National Natural Science Foundation of China(No.61373131,61303039,61232016,61501247)+1 种基金the PAPDCICAEET funds
文摘The rapid development of network technology and its evolution toward heterogeneous networks has increased the demand to support automatic monitoring and the management of heterogeneous wireless communication networks.This paper presents a multilevel pattern mining architecture to support automatic network management by discovering interesting patterns from telecom network monitoring data.This architecture leverages and combines existing frequent itemset discovery over data streams,association rule deduction,frequent sequential pattern mining,and frequent temporal pattern mining techniques while also making use of distributed processing platforms to achieve high-volume throughput.
基金supported by the National Natural Science Foundation of China(No.92061114 and No.21873096)the Chinese Academy of Sciences(XDB17010200)。
文摘Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-lying isomers of(TiO_(2))_(n)(n=2-8)clusters with up to 10000 random sampling initial structures.These structures were optimized by the PM6 method,followed by density functional theory calculations.With this strategy,we have located many more low-lying isomers than thosereported previously.The number of isomers increases dramatically with the size of the cluster,and about 50 isomers were found for(TiO_(2))_(7) and(TiO_(2))_(8) with the energy within 30 kcal/mol.Furthermore,new lowest isomers have been located for(TiO_(2))_(5) and(TiO_(2))_(8),and isomers with three terminal oxygen atoms,five coordinated oxygen atoms as well as six coordinated titanium atoms have been located.Our work highlights the diverse structural features and a large number of isomers of small TiO_(2) clusters.
基金supported by the National Basic Research Program of China (973 Program,2009CB930601 and 2012CB933301)National Natural Science Foundation of China (21174064,21171098)+4 种基金Natural Science Fund for Colleges and Universities in Jiangsu Province(10KJB430010)the Ministry of Education of China (IRT1148)Key Projects in Jiangsu Province for International Cooperation (BZ2010043)Nanjing University of Posts and Telecommunications (NY210029)Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘Diarylethene derivatives are a class of fascinating photochromic materials because of their open and closed isomers with different absorption spectra and many other characteristics.To reveal the detailed structure and optoelectronic properties as well as the effect of metal centres and substituents on them,a systematic study on a series of diarylethene derivatives and their Re(I),Pt(II),and Ir(III) complexes was performed via theoretical calculation.The optimized geometries,electronic properties,frontier molecular orbitals,ionization potentials,electron affinities,reorganization energies,and absorption spectra for both of their open-and closed-isomers have been calculated and analyzed.Metal-coordination and substituents exhibit great influence on the photophysical,charge-injection and-transporting characteristics.In addition,the binding of F-with the boron atom of dimesitylboryl group through Lewis acid/base interactions also induces great changes of structural,photophysical and electronic properties for these diarylethene derivatives,and consequently the compound with the substituent of dimesitylboryl group can be used as selective near-infrared phosphorescent F-probe.
