The pre-and post-selection processes of the "two-state vector formalism" lead to a fair sampling loophole in Bell test, so it can be used to simulate post-quantum correlations. In this paper, we propose a ph...The pre-and post-selection processes of the "two-state vector formalism" lead to a fair sampling loophole in Bell test, so it can be used to simulate post-quantum correlations. In this paper, we propose a physical implementation of such a correlation with the help of quantum non-demolition measurement, which is realized via the cross-Kerr nonlinear interaction between the signal photon and a probe coherent beam. The indirect measurement on the polarization state of photon is realized by the direct measurement on the phase shift of the probe coherent beam, which enhances the detection efficiency greatly and leaves the signal photon unabsorbed. The maximal violation of the CHSH inequality 4 can be achieved by pre-and post-selecting maximally entangled states. The reason why we can get the post-quantum correlation is that the selection of the results after measurement opens fair-sampling loophole. The fair-sampling loophole opened here is different from the one usually used in the currently existing simulation schemes for post-quantum correlations,which are simulated by selecting the states to be measured or enlarging the Hilbert space. So, our results present an alternative way to mimic post-quantum correlations.展开更多
Adenosine receptors are promising therapeutic targets in drug discovery. In this study, three-dimensional pharmacophore mod- els of human adenosine receptor A1 and A3 antagonists were developed based on 26 and 23 dive...Adenosine receptors are promising therapeutic targets in drug discovery. In this study, three-dimensional pharmacophore mod- els of human adenosine receptor A1 and A3 antagonists were developed based on 26 and 23 diverse compounds, respectively. The best A1 pharmacophore model （A1-Hopyl） consists of four features： one hydrogen bond donor, one hydrophobic point and two ring aromatics, while the best A3 pharmacophore model （A3_Hopyl） also has four features： one hydrogen bond ac- ceptor, one hydrophobic point and two ring aromatics. The correlation coefficients were 0.840 for A1 test set with 146 diverse compounds and 0.827 for A3 test set with 238 diverse compounds. In the simulated virtual screening experiments, high en- richment factors of 6.51 and 6.90 were obtained for A1_Hopyl and A3_Hopyl models, respectively. Moreover, two models also showed high subtype-selectivity in the simulated virtual screening experiments. These results could be helpful for the dis- covery of novel potent and selective A1 and A3 antagonists.展开更多
基金Supported by National Natural Science Foundation of China(NSFC)under Grant Nos.11274010,11374085,and 61370090Anhui Provincial Natural Science Foundation under Grant Nos.1408085MA20 and 1408085MA16the Key Program of Domestic Visiting of Anhui Province under Grant No.gxfxZD2016192
文摘The pre-and post-selection processes of the "two-state vector formalism" lead to a fair sampling loophole in Bell test, so it can be used to simulate post-quantum correlations. In this paper, we propose a physical implementation of such a correlation with the help of quantum non-demolition measurement, which is realized via the cross-Kerr nonlinear interaction between the signal photon and a probe coherent beam. The indirect measurement on the polarization state of photon is realized by the direct measurement on the phase shift of the probe coherent beam, which enhances the detection efficiency greatly and leaves the signal photon unabsorbed. The maximal violation of the CHSH inequality 4 can be achieved by pre-and post-selecting maximally entangled states. The reason why we can get the post-quantum correlation is that the selection of the results after measurement opens fair-sampling loophole. The fair-sampling loophole opened here is different from the one usually used in the currently existing simulation schemes for post-quantum correlations,which are simulated by selecting the states to be measured or enlarging the Hilbert space. So, our results present an alternative way to mimic post-quantum correlations.
基金supported by the National Natural Science Foundation of China (21072059)the Program for New Century Excellent Talents in University (NCET-08-0774)+3 种基金the 111 Project (B07023)the Shanghai Committee of Science and Technology (11DZ2260600)the Fundamental Research Funds for the Central Universities (WY1113007)the National S&T Major Project of China ( 2009ZX09501-001)
文摘Adenosine receptors are promising therapeutic targets in drug discovery. In this study, three-dimensional pharmacophore mod- els of human adenosine receptor A1 and A3 antagonists were developed based on 26 and 23 diverse compounds, respectively. The best A1 pharmacophore model （A1-Hopyl） consists of four features： one hydrogen bond donor, one hydrophobic point and two ring aromatics, while the best A3 pharmacophore model （A3_Hopyl） also has four features： one hydrogen bond ac- ceptor, one hydrophobic point and two ring aromatics. The correlation coefficients were 0.840 for A1 test set with 146 diverse compounds and 0.827 for A3 test set with 238 diverse compounds. In the simulated virtual screening experiments, high en- richment factors of 6.51 and 6.90 were obtained for A1_Hopyl and A3_Hopyl models, respectively. Moreover, two models also showed high subtype-selectivity in the simulated virtual screening experiments. These results could be helpful for the dis- covery of novel potent and selective A1 and A3 antagonists.
