Objective To analyze the interactions between different structural types of volatile oil compo-nents(VOCs)and skin lipid molecules;and investigate the mechanism of volatile oil in Chi-nese materia medica(VOCMM)as pene...Objective To analyze the interactions between different structural types of volatile oil compo-nents(VOCs)and skin lipid molecules;and investigate the mechanism of volatile oil in Chi-nese materia medica(VOCMM)as penetration enhancers.Methods In this study;210 different structural types of VOCs were selected from the VOCMM penetration enhancer database;and the molecular docking experiments were conducted with three main lipid molecules of skin:ceramide 2(CER2);cholesterol(CHL);and free fatty acid(FFA).Each VOC was docked individually with each lipid molecule.Cluster analysis was used to explore the relationship between the binding energy of VOCs and their molecular struc-tures.Nine specific pathogen-free(SPF)Sprague Dawley(SD)rats were randomly divided in-to Control;Nootkatone;and 3-Butylidenephthalide groups for in vitro percutaneous experi-ments;with three rats in each group.The donor pool solutions were 3%gastrodin;3%gas-trodin+3%nootkatone;and 3%gastrodin+3%3-butylidenephthalide;respectively.The pen-etration enhancing effects of VOCs with higher binding energy were evaluated by comparing the 12-hour cumulative percutaneous absorption of gastrodin(Q12;µg/cm²).Results(i)Most of the VOCs were non-hydrogen bonded to the hydrophobic parts of CHL and FFA;and hydrogen bonded to the head group of CER2.Among them;sesquiterpene ox-ides showed the most pronounced binding affinity to CER2.The VOCs with 2-4 rings(in-cluding carbon rings;benzene rings;and heterocycles)demonstrated stronger binding affini-ty for three skin lipid molecules compared with the VOCs without intramolecular rings(P<0.01).(ii)According to the cluster analysis;most of the VOCs that bond well to CER2 had 2-3 intramolecular rings.The non-oxygenated VOCs were bonded to CER2 in a hydrophobic manner.The oxygenated VOCs were mostly bonded to CER2 by hydrogen bonding.(iii)The results of Franz diffusion cell experiment showed that the Q12 of Control group was 260.60±25.09µg/cm2;and the transdermal absorption of gastrodin was significantly increased in Nootkatone group(Q12=5503.00±1080.00µg/cm²;P<0.01).The transdermal absorption of gastrodin was also increased in 3-Butylidenephthalide group(Q12=495.40±56.98µg/cm²;P>0.05).(iv)The type of oxygen-containing functional groups in VOCs was also an influencing factor of binding affinity to CER2.Conclusion The interactions between different types of VOCs with different structures in the VOCMM and three skin lipid molecules in the stratum corneum were investigated at the molecular level in this paper.This research provided theoretical guidance and data support for the screening of volatile oil-based penetration enhancers;and a simple and rapid method for studying the penetration-enhancing mechanism of volatile oils.展开更多
AIM:To investigate health-related quality of life(HRQoL) and psychological outcomes in 256 adults who had undergone liver transplantation(LT).METHODS:A stratified random sampling method was used in this follow-up mult...AIM:To investigate health-related quality of life(HRQoL) and psychological outcomes in 256 adults who had undergone liver transplantation(LT).METHODS:A stratified random sampling method was used in this follow-up multicenter study to select a representative sample of recipients undergoing either living donor liver transplantation(LDLT) or deceased donor liver transplantation(DDLT).HRQoL was measured by using the Chinese version of Medical Outcome Study Short Form-36(SF-36),and psychological outcomes by using the beck anxiety inventory(BAI) and the self-rating depression scale(SDS).Clinical and demographic data were collected from the records of the Chinese Liver Transplant Registry and via questionnaires.RESULTS:A total of 256 patients were sampled,including 66(25.8%) receiving LDLT and 190(74.2%) undergoing DDLT;15(5.9%) recipients had anxiety and four(1.6%) developed severe depression after the operation.Compared with LDLT recipients,DDLT patients had higher scores in general health(60.33 ± 16.97 vs 66.86 ± 18.42,P = 0.012),role-physical(63.64 ± 42.55 vs 74.47 ± 36.46,P = 0.048),roleemotional(61.11 ± 44.37 vs 78.95 ± 34.31,P = 0.001),social functioning(78.60 ± 22.76 vs 88.16 ± 21.85,P = 0.003),vitality(70.30 ± 15.76 vs 75.95 ± 16.40,P = 0.016),mental health(65.88 ± 12.94 vs 71.85 ± 15.45,P = 0.005),physical component summary scale(PCS,60.07 ± 7.36 vs 62.58 ± 6.88,P = 0.013) and mental component summary scale(MCS,52.65 ± 7.66 vs 55.95 ± 10.14,P = 0.016).Recipients > 45 years old at the time of transplant scored higher in vitality(77.33 ± 15.64 vs 72.52 ± 16.66,P = 0.020),mental health(73.64 ± 15.06 vs 68.00 ± 14.65,P = 0.003) and MCS(56.61 ± 10.00 vs 54.05 ± 9.30,P = 0.037) than those aged ≤ 45 years.MCS was poorer in recipients with than in those without complications(52.92 ± 12.21 vs 56.06 ± 8.16,P = 0.017).Regarding MCS(55.10 ± 9.66 vs 50.0 ± 10.0,P < 0.05) and PCS(61.93 ± 7.08 vs 50.0 ± 10.0,P < 0.05),recipients scored better than the Sichuan general and had improved overall QoL compared to patients with chronic diseases.MCS and PCS significantly correlated with scores of the BAI(P < 0.001) and the SDS(P < 0.001).CONCLUSION:Age > 45 years at time of transplant,DDLT,full-time working,no complications,anxiety and depression were possible factors influencing postoperative HRQoL in liver recipients.展开更多
Axisymmetric fundamental solutions that are applied in the consolidation calculations of a finite clay layer with impeded boundaries were derived. Laplace and Hankel integral transforms were utilized with respect to t...Axisymmetric fundamental solutions that are applied in the consolidation calculations of a finite clay layer with impeded boundaries were derived. Laplace and Hankel integral transforms were utilized with respect to time and radial coordinates, respectively in the analysis. The derivation of fundamental solutions considers two boundary value problems involving unit point loading and ring loading in the vertical. The solutions are extended to circular distributed and strip distributed normal load. The computation and analysis of settlements, vertical total stress and excess pore pressure in the consolidation layer subject to circular loading are presented.展开更多
A simplified approach is presented for the analysis of the settlement of vertically loaded pile groups. In order to simulate the nonlinear pile-to-pile interaction in pile groups, the soils along the piles are assumed...A simplified approach is presented for the analysis of the settlement of vertically loaded pile groups. In order to simulate the nonlinear pile-to-pile interaction in pile groups, the soils along the piles are assumed to behave as a series of nonlinear springs subjected to the shaft shear stress at the pile/soil interface. Considering the displacement reduction induced by the pile-to-pile interaction, the shear-deformation method is adopted to approximate the displacement field of the layered soils around the piles, and the equivalent stiffness of the springs is obtained. Furthermore, the load-settlement response of pile groups is deduced by modifying the load-transfer functions to account for the pile-to-pile interaction. The settlements of a laboratory pile groups computed by the presented approach are in a good agreement with measured results. The analysis on Contrastive parameters shows that the settlements of pile group decrease with the increase of the pile space and pile length, and the part of piles exceeding the critical pile length has little contribution to the beating capacity of the pile groups.展开更多
Fault is a complex dynamic system controlled by the coupling of rock texture, reaction, fluid flow,stress, and rock deformation mechanism. A coupled reaction-transport- mechanical dynamic model for fault system is est...Fault is a complex dynamic system controlled by the coupling of rock texture, reaction, fluid flow,stress, and rock deformation mechanism. A coupled reaction-transport- mechanical dynamic model for fault system is established and described in this paper. An example is presented for the Shuikoushan deposit, Hunan. The results of dynamic simulation indicate that the evolution and magnitude of fracture permeability of different rocks are different, and that faulting can enhance the spatial heterogeneity of rock permeability and facilitate fluid flow and mineralization in local fault zone. The pressure for a fault usually shows a variation mode of aperiodic oscillation with time, which reflects the chaotic behavior of the evolution of a fault.展开更多
The B3LYP/LanL1MB and B3LYP/LanL2DZ methods for Ag atom in conjunction with the 6-31G（d） basis set for S, C and H atoms were used to optimize the geometries and calculate the energies for （SCH3）mAg20 （re=1-4）, r...The B3LYP/LanL1MB and B3LYP/LanL2DZ methods for Ag atom in conjunction with the 6-31G（d） basis set for S, C and H atoms were used to optimize the geometries and calculate the energies for （SCH3）mAg20 （re=1-4）, respectively. A single molecular adsorption energy of （SCH3）m （rn=1-4） on Ag20 and the intermolecular substrate-mediated interaction energy were evaluated. The results revealed that there is a proportional relation between the single molecular adsorption energy and the substrate-mediated intermolecular interaction energy. The results qualitatively demonstrated the semi-empirical expression for the substratemediated interaction energy proposed previously by us is consistent with the results of the density functional theory.展开更多
A rigorous analytical method is presented, which takes into account the pile stiffening effects, using the theory of the transfer matrix-bottom rigidity for calculating the interaction factor between two identical pil...A rigorous analytical method is presented, which takes into account the pile stiffening effects, using the theory of the transfer matrix-bottom rigidity for calculating the interaction factor between two identical piles in multi-layered soils subjected to vertical loads. Following the technique proposed by Muki and Sternberg, the problem is decomposed into extended soil layers and two fictitious piles characterized respectively by Young's moduli of the layered soils and those of the differences between the piles and the layered soils. The unknown axial forces along fictitious piles are determined by solving a Fredholm integral equation of the second kind, which imposes the compatibility condition that the axial strains of the fictitious piles are equal to those corresponding to the centroidal axes of the extended layered soils. The real pile displacements can be calculated based on the determined fictitious pile forces, and finally, the desired pile interaction factors may be obtained. Selected results from parametrical studies are presented to confirm the validity of the proposed approach and portray the influence of the governing parameters on the pile interaction.展开更多
This paper is concerned with the generation of waves due to initial disturbances at the upper surface of a two-layer fluid, as the upper layer is covered by an inertial surface and the lower layer extends infinitely d...This paper is concerned with the generation of waves due to initial disturbances at the upper surface of a two-layer fluid, as the upper layer is covered by an inertial surface and the lower layer extends infinitely downwards. The inertial surface is composed of thin but uniform distribution of non-interacting material. In the mathematical analysis, the Fourier and Laplace transform techniques have been utilized to obtain the depressions of the inertial surface and the interface in the form of infinite integrals. For initial disturbances concentrated at a point, the inertial surface depression and the interface depression are evaluated asymptotically for large time and distance by using the method of stationary phase. They are also depicted graphically for two types of initial disturbances and appropriate conclusions are made.展开更多
基金National Science Foundation of China(82174093)Fundamental Research Funds for the Central Universities(BUCM-2019-JYB-JS-016).
文摘Objective To analyze the interactions between different structural types of volatile oil compo-nents(VOCs)and skin lipid molecules;and investigate the mechanism of volatile oil in Chi-nese materia medica(VOCMM)as penetration enhancers.Methods In this study;210 different structural types of VOCs were selected from the VOCMM penetration enhancer database;and the molecular docking experiments were conducted with three main lipid molecules of skin:ceramide 2(CER2);cholesterol(CHL);and free fatty acid(FFA).Each VOC was docked individually with each lipid molecule.Cluster analysis was used to explore the relationship between the binding energy of VOCs and their molecular struc-tures.Nine specific pathogen-free(SPF)Sprague Dawley(SD)rats were randomly divided in-to Control;Nootkatone;and 3-Butylidenephthalide groups for in vitro percutaneous experi-ments;with three rats in each group.The donor pool solutions were 3%gastrodin;3%gas-trodin+3%nootkatone;and 3%gastrodin+3%3-butylidenephthalide;respectively.The pen-etration enhancing effects of VOCs with higher binding energy were evaluated by comparing the 12-hour cumulative percutaneous absorption of gastrodin(Q12;µg/cm²).Results(i)Most of the VOCs were non-hydrogen bonded to the hydrophobic parts of CHL and FFA;and hydrogen bonded to the head group of CER2.Among them;sesquiterpene ox-ides showed the most pronounced binding affinity to CER2.The VOCs with 2-4 rings(in-cluding carbon rings;benzene rings;and heterocycles)demonstrated stronger binding affini-ty for three skin lipid molecules compared with the VOCs without intramolecular rings(P<0.01).(ii)According to the cluster analysis;most of the VOCs that bond well to CER2 had 2-3 intramolecular rings.The non-oxygenated VOCs were bonded to CER2 in a hydrophobic manner.The oxygenated VOCs were mostly bonded to CER2 by hydrogen bonding.(iii)The results of Franz diffusion cell experiment showed that the Q12 of Control group was 260.60±25.09µg/cm2;and the transdermal absorption of gastrodin was significantly increased in Nootkatone group(Q12=5503.00±1080.00µg/cm²;P<0.01).The transdermal absorption of gastrodin was also increased in 3-Butylidenephthalide group(Q12=495.40±56.98µg/cm²;P>0.05).(iv)The type of oxygen-containing functional groups in VOCs was also an influencing factor of binding affinity to CER2.Conclusion The interactions between different types of VOCs with different structures in the VOCMM and three skin lipid molecules in the stratum corneum were investigated at the molecular level in this paper.This research provided theoretical guidance and data support for the screening of volatile oil-based penetration enhancers;and a simple and rapid method for studying the penetration-enhancing mechanism of volatile oils.
基金Supported by A grant from the National Science and Technology Major Project of China,No.2008ZX10002-025, 2008ZX10002-026
文摘AIM:To investigate health-related quality of life(HRQoL) and psychological outcomes in 256 adults who had undergone liver transplantation(LT).METHODS:A stratified random sampling method was used in this follow-up multicenter study to select a representative sample of recipients undergoing either living donor liver transplantation(LDLT) or deceased donor liver transplantation(DDLT).HRQoL was measured by using the Chinese version of Medical Outcome Study Short Form-36(SF-36),and psychological outcomes by using the beck anxiety inventory(BAI) and the self-rating depression scale(SDS).Clinical and demographic data were collected from the records of the Chinese Liver Transplant Registry and via questionnaires.RESULTS:A total of 256 patients were sampled,including 66(25.8%) receiving LDLT and 190(74.2%) undergoing DDLT;15(5.9%) recipients had anxiety and four(1.6%) developed severe depression after the operation.Compared with LDLT recipients,DDLT patients had higher scores in general health(60.33 ± 16.97 vs 66.86 ± 18.42,P = 0.012),role-physical(63.64 ± 42.55 vs 74.47 ± 36.46,P = 0.048),roleemotional(61.11 ± 44.37 vs 78.95 ± 34.31,P = 0.001),social functioning(78.60 ± 22.76 vs 88.16 ± 21.85,P = 0.003),vitality(70.30 ± 15.76 vs 75.95 ± 16.40,P = 0.016),mental health(65.88 ± 12.94 vs 71.85 ± 15.45,P = 0.005),physical component summary scale(PCS,60.07 ± 7.36 vs 62.58 ± 6.88,P = 0.013) and mental component summary scale(MCS,52.65 ± 7.66 vs 55.95 ± 10.14,P = 0.016).Recipients > 45 years old at the time of transplant scored higher in vitality(77.33 ± 15.64 vs 72.52 ± 16.66,P = 0.020),mental health(73.64 ± 15.06 vs 68.00 ± 14.65,P = 0.003) and MCS(56.61 ± 10.00 vs 54.05 ± 9.30,P = 0.037) than those aged ≤ 45 years.MCS was poorer in recipients with than in those without complications(52.92 ± 12.21 vs 56.06 ± 8.16,P = 0.017).Regarding MCS(55.10 ± 9.66 vs 50.0 ± 10.0,P < 0.05) and PCS(61.93 ± 7.08 vs 50.0 ± 10.0,P < 0.05),recipients scored better than the Sichuan general and had improved overall QoL compared to patients with chronic diseases.MCS and PCS significantly correlated with scores of the BAI(P < 0.001) and the SDS(P < 0.001).CONCLUSION:Age > 45 years at time of transplant,DDLT,full-time working,no complications,anxiety and depression were possible factors influencing postoperative HRQoL in liver recipients.
文摘Axisymmetric fundamental solutions that are applied in the consolidation calculations of a finite clay layer with impeded boundaries were derived. Laplace and Hankel integral transforms were utilized with respect to time and radial coordinates, respectively in the analysis. The derivation of fundamental solutions considers two boundary value problems involving unit point loading and ring loading in the vertical. The solutions are extended to circular distributed and strip distributed normal load. The computation and analysis of settlements, vertical total stress and excess pore pressure in the consolidation layer subject to circular loading are presented.
基金Project(50708033) supported by the National Natural Science Foundation of ChinaProjects(200923, CXKJSF0108-2) supported by Transportation Technical Project of Hunan Province, China
文摘A simplified approach is presented for the analysis of the settlement of vertically loaded pile groups. In order to simulate the nonlinear pile-to-pile interaction in pile groups, the soils along the piles are assumed to behave as a series of nonlinear springs subjected to the shaft shear stress at the pile/soil interface. Considering the displacement reduction induced by the pile-to-pile interaction, the shear-deformation method is adopted to approximate the displacement field of the layered soils around the piles, and the equivalent stiffness of the springs is obtained. Furthermore, the load-settlement response of pile groups is deduced by modifying the load-transfer functions to account for the pile-to-pile interaction. The settlements of a laboratory pile groups computed by the presented approach are in a good agreement with measured results. The analysis on Contrastive parameters shows that the settlements of pile group decrease with the increase of the pile space and pile length, and the part of piles exceeding the critical pile length has little contribution to the beating capacity of the pile groups.
基金supported by the National Natural Science Foundation of China(Gramt No.70171057 and No.49702024)a Key Project of the Ninth Five-Year Plan of the Chinese Academof Sciences(Grant No.KZ952-S1-402).
文摘Fault is a complex dynamic system controlled by the coupling of rock texture, reaction, fluid flow,stress, and rock deformation mechanism. A coupled reaction-transport- mechanical dynamic model for fault system is established and described in this paper. An example is presented for the Shuikoushan deposit, Hunan. The results of dynamic simulation indicate that the evolution and magnitude of fracture permeability of different rocks are different, and that faulting can enhance the spatial heterogeneity of rock permeability and facilitate fluid flow and mineralization in local fault zone. The pressure for a fault usually shows a variation mode of aperiodic oscillation with time, which reflects the chaotic behavior of the evolution of a fault.
基金Ⅴ. ACKN0WLEDGMENTSThis work was supported by the National Natural Science Foundation of China （No.20473078） and The Ph.D. Programs Foundation of Ministry of Education of China （No.20020358061）.
文摘The B3LYP/LanL1MB and B3LYP/LanL2DZ methods for Ag atom in conjunction with the 6-31G（d） basis set for S, C and H atoms were used to optimize the geometries and calculate the energies for （SCH3）mAg20 （re=1-4）, respectively. A single molecular adsorption energy of （SCH3）m （rn=1-4） on Ag20 and the intermolecular substrate-mediated interaction energy were evaluated. The results revealed that there is a proportional relation between the single molecular adsorption energy and the substrate-mediated intermolecular interaction energy. The results qualitatively demonstrated the semi-empirical expression for the substratemediated interaction energy proposed previously by us is consistent with the results of the density functional theory.
基金National Natural Science Foundation of China(No.50478022)Research and Innovation Project of Shanghai Education Committee,China(No.10YZ208)Excellent Young Teacher Project of Shanghai Education Committee,China(No.dsd08005)
文摘A rigorous analytical method is presented, which takes into account the pile stiffening effects, using the theory of the transfer matrix-bottom rigidity for calculating the interaction factor between two identical piles in multi-layered soils subjected to vertical loads. Following the technique proposed by Muki and Sternberg, the problem is decomposed into extended soil layers and two fictitious piles characterized respectively by Young's moduli of the layered soils and those of the differences between the piles and the layered soils. The unknown axial forces along fictitious piles are determined by solving a Fredholm integral equation of the second kind, which imposes the compatibility condition that the axial strains of the fictitious piles are equal to those corresponding to the centroidal axes of the extended layered soils. The real pile displacements can be calculated based on the determined fictitious pile forces, and finally, the desired pile interaction factors may be obtained. Selected results from parametrical studies are presented to confirm the validity of the proposed approach and portray the influence of the governing parameters on the pile interaction.
基金Supported by the DST Research Project No.SR/SY/MS:521/08and CSIR,New Delhi
文摘This paper is concerned with the generation of waves due to initial disturbances at the upper surface of a two-layer fluid, as the upper layer is covered by an inertial surface and the lower layer extends infinitely downwards. The inertial surface is composed of thin but uniform distribution of non-interacting material. In the mathematical analysis, the Fourier and Laplace transform techniques have been utilized to obtain the depressions of the inertial surface and the interface in the form of infinite integrals. For initial disturbances concentrated at a point, the inertial surface depression and the interface depression are evaluated asymptotically for large time and distance by using the method of stationary phase. They are also depicted graphically for two types of initial disturbances and appropriate conclusions are made.
