Contact angle of ethylene glycol and formamide on (100) faces of NaCl, KCl, and KBr single crystal was measured, and the specific surface free energy (SSFE) was calculated. Dispersion component of the SSFE was 90.57, ...Contact angle of ethylene glycol and formamide on (100) faces of NaCl, KCl, and KBr single crystal was measured, and the specific surface free energy (SSFE) was calculated. Dispersion component of the SSFE was 90.57, 93.78, and 99.52 mN·m-1 for NaCl, KCl, and KBr, respectively. Polar component of the SSFE was 1.05, 0.65, and 0.45 mN·m-1 for NaCl, KCl, and KBr. Such a large ratio of dispersion component of SSFE results from the neutrality of the crystal surface of alkali halide. Lattice component of alkali halide is 780, 717 and 689 kJ·mol-1 for NaCl, KCl, and KBr. The larger lattice enthalpy decreases dispersion component, and increases polar component of the SSFE. The larger lattice enthalpy is considered to enhance the rumpling of the crystal surface more strongly, and such rumpling is considered to decrease the neutrality of the crystal surface.展开更多
The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An incr...The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An increasing number of clinically and experimentally validated interactions between HCV and human proteins have been documented in public databases,facilitating studies based on computational methods.In this study,we proposed a new computational approach,rotation forest position-specific scoring matrix(RF-PSSM),to predict the interactions among HCV and human proteins.In particular,PSSM was used to characterize each protein,two-dimensional principal component analysis(2DPCA)was then adopted for feature extraction of PSSM.Finally,rotation forest(RF)was used to implement classification.The results of various ablation experiments show that on independent datasets,the accuracy and area under curve(AUC)value of RF-PSSM can reach 93.74% and 94.29%,respectively,outperforming almost all cutting-edge research.In addition,we used RF-PSSM to predict 9 human proteins that may interact with HCV protein E1,which can provide theoretical guidance for future experimental studies.展开更多
文摘Contact angle of ethylene glycol and formamide on (100) faces of NaCl, KCl, and KBr single crystal was measured, and the specific surface free energy (SSFE) was calculated. Dispersion component of the SSFE was 90.57, 93.78, and 99.52 mN·m-1 for NaCl, KCl, and KBr, respectively. Polar component of the SSFE was 1.05, 0.65, and 0.45 mN·m-1 for NaCl, KCl, and KBr. Such a large ratio of dispersion component of SSFE results from the neutrality of the crystal surface of alkali halide. Lattice component of alkali halide is 780, 717 and 689 kJ·mol-1 for NaCl, KCl, and KBr. The larger lattice enthalpy decreases dispersion component, and increases polar component of the SSFE. The larger lattice enthalpy is considered to enhance the rumpling of the crystal surface more strongly, and such rumpling is considered to decrease the neutrality of the crystal surface.
文摘The identification of hepatitis C virus(HCV)virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets.An increasing number of clinically and experimentally validated interactions between HCV and human proteins have been documented in public databases,facilitating studies based on computational methods.In this study,we proposed a new computational approach,rotation forest position-specific scoring matrix(RF-PSSM),to predict the interactions among HCV and human proteins.In particular,PSSM was used to characterize each protein,two-dimensional principal component analysis(2DPCA)was then adopted for feature extraction of PSSM.Finally,rotation forest(RF)was used to implement classification.The results of various ablation experiments show that on independent datasets,the accuracy and area under curve(AUC)value of RF-PSSM can reach 93.74% and 94.29%,respectively,outperforming almost all cutting-edge research.In addition,we used RF-PSSM to predict 9 human proteins that may interact with HCV protein E1,which can provide theoretical guidance for future experimental studies.
