Direct measurement of dipole potential in biological membranes has been impossible and 3-hydroxyflavones(3HFs) have allowed detection of changes in dipole potential in biological systems.In the present study,sixteen d...Direct measurement of dipole potential in biological membranes has been impossible and 3-hydroxyflavones(3HFs) have allowed detection of changes in dipole potential in biological systems.In the present study,sixteen derivatives of 3HF with aliphatic hydrocarbon chains of different lengths at 4′-position and 6-position were synthesized.The basic fluorescence properties of 3HFs are maintained in all the probes in terms of strong blue shift in maximum fluorescence emission wavelength and>100 fold increase in quantum yield in organic solvents and in dioleoylphosphatidylcholine(DOPC) small unilamellar vesicles(SUV) in comparison to in aqueous Hepes buffer(15 mmol/L,pH 7.4).More importantly,the ability of the new compounds to report dipole potential changes in biological systems are also maintained,since all the new probes showed spectrum properties that are similar to yet different from that of F4N1,which potentially may allow more sensitive measurement of the dipole potential change in membranes.展开更多
The Unsteady Vortex Lattice Method(UVLM) is a medium-fidelity aerodynamic tool that has been widely used in aeroelasticity and flight dynamics simulations. The most timeconsuming step is the evaluation of the induced ...The Unsteady Vortex Lattice Method(UVLM) is a medium-fidelity aerodynamic tool that has been widely used in aeroelasticity and flight dynamics simulations. The most timeconsuming step is the evaluation of the induced velocity. Supposing that the number of bound and wake lattices is N and the computational cost is O (N2), we present an OeNT Dipole Panel Fast Multipole Method(DPFMM) for the rapid evaluation of the induced velocity in UVLM. The multipole expansion coefficients of a quadrilateral dipole panel have been derived in spherical coordinates, whose accuracy is the same as that of the Biot-Savart kernel at the same truncation degree P.Two methods(the loosening method and the shrinking method) are proposed and tested for space partitioning volumetric panels. Compared with FMM for vortex filaments(with three harmonics),DPFMM is approximately two times faster for N2 [103,106]. The simulation time of a multirotor(N~104) is reduced from 100 min(with unaccelerated direct solver) to 2 min(with DPFMM).展开更多
Dehydration of a surface is the first step for the interaction between biomolecules and the surface. In this study, we systemati- cally investigated the influence of cholesterol analog 6-ketocholestanol （6-KC） on th...Dehydration of a surface is the first step for the interaction between biomolecules and the surface. In this study, we systemati- cally investigated the influence of cholesterol analog 6-ketocholestanol （6-KC） on the dehydration of model cell membrane, using sum frequency generation vibrational spectroscopy. In pure DI water environment, two separate dehydration dynamic components were observed in neutrally charged and isotopically labeled 1,2-dimyristoyl-sn-glycero-3-phosphocholine （DMPC） and positively charged 1,2-dimyristoyl-sn-glycero-3-ethylphosphocholine（chloride salt） （DMEPC） bilayer： a large-amplitude fast component and a small-amplitude slow component, which originated from the water molecules with a weak and a strong water-membrane bound strengths, respectively. Dehydration of a negatively charged mixed DMPC/DMPG bilayer lead to the membrane-bound water being reorganized to ordered structures quickly. It is evident that the water-membrane bound strengths depend largely on the charge status of the lipid and has an order of neutrally charged membrane〈〈positively charged mem- brane〈〈negatively charged membrane. In an ionic environment, KC1 solution can not only dehydrate DMPC bilayer, but also prevent the 6-KC fiom further dehydrating this model cell membrane. We observed that the dehydration dynamics behavior of DMPC bilayer in the presence of the chaotropic anions is similar to that of the negatively charged DMPG bilayer because of the penetration of chaotropic anions into the DMPC bilayer. The degree of dehydration difficulty in kosmotropic anions fol- lows a Hofmeister series and linearly correlates with the hydration Gibbs free energy of the anions. Our results provide a molecular basis for the interpretation of the Hofmeister effect of kosmotropic anions on ion transport proteins.展开更多
文摘Direct measurement of dipole potential in biological membranes has been impossible and 3-hydroxyflavones(3HFs) have allowed detection of changes in dipole potential in biological systems.In the present study,sixteen derivatives of 3HF with aliphatic hydrocarbon chains of different lengths at 4′-position and 6-position were synthesized.The basic fluorescence properties of 3HFs are maintained in all the probes in terms of strong blue shift in maximum fluorescence emission wavelength and>100 fold increase in quantum yield in organic solvents and in dioleoylphosphatidylcholine(DOPC) small unilamellar vesicles(SUV) in comparison to in aqueous Hepes buffer(15 mmol/L,pH 7.4).More importantly,the ability of the new compounds to report dipole potential changes in biological systems are also maintained,since all the new probes showed spectrum properties that are similar to yet different from that of F4N1,which potentially may allow more sensitive measurement of the dipole potential change in membranes.
文摘The Unsteady Vortex Lattice Method(UVLM) is a medium-fidelity aerodynamic tool that has been widely used in aeroelasticity and flight dynamics simulations. The most timeconsuming step is the evaluation of the induced velocity. Supposing that the number of bound and wake lattices is N and the computational cost is O (N2), we present an OeNT Dipole Panel Fast Multipole Method(DPFMM) for the rapid evaluation of the induced velocity in UVLM. The multipole expansion coefficients of a quadrilateral dipole panel have been derived in spherical coordinates, whose accuracy is the same as that of the Biot-Savart kernel at the same truncation degree P.Two methods(the loosening method and the shrinking method) are proposed and tested for space partitioning volumetric panels. Compared with FMM for vortex filaments(with three harmonics),DPFMM is approximately two times faster for N2 [103,106]. The simulation time of a multirotor(N~104) is reduced from 100 min(with unaccelerated direct solver) to 2 min(with DPFMM).
基金supported by the National Natural Science Foundation of China(21273217,91127042,21161160557)the National Basic Research Program of China(2010CB923300)+2 种基金the Key Research Program of the Chinese Academy of Sciencesthe Scientific Research Foundation for the Returned Overseas Chinese Scholars(State Education Ministry)the Fundamental Research Funds for the Central Universities
文摘Dehydration of a surface is the first step for the interaction between biomolecules and the surface. In this study, we systemati- cally investigated the influence of cholesterol analog 6-ketocholestanol （6-KC） on the dehydration of model cell membrane, using sum frequency generation vibrational spectroscopy. In pure DI water environment, two separate dehydration dynamic components were observed in neutrally charged and isotopically labeled 1,2-dimyristoyl-sn-glycero-3-phosphocholine （DMPC） and positively charged 1,2-dimyristoyl-sn-glycero-3-ethylphosphocholine（chloride salt） （DMEPC） bilayer： a large-amplitude fast component and a small-amplitude slow component, which originated from the water molecules with a weak and a strong water-membrane bound strengths, respectively. Dehydration of a negatively charged mixed DMPC/DMPG bilayer lead to the membrane-bound water being reorganized to ordered structures quickly. It is evident that the water-membrane bound strengths depend largely on the charge status of the lipid and has an order of neutrally charged membrane〈〈positively charged mem- brane〈〈negatively charged membrane. In an ionic environment, KC1 solution can not only dehydrate DMPC bilayer, but also prevent the 6-KC fiom further dehydrating this model cell membrane. We observed that the dehydration dynamics behavior of DMPC bilayer in the presence of the chaotropic anions is similar to that of the negatively charged DMPG bilayer because of the penetration of chaotropic anions into the DMPC bilayer. The degree of dehydration difficulty in kosmotropic anions fol- lows a Hofmeister series and linearly correlates with the hydration Gibbs free energy of the anions. Our results provide a molecular basis for the interpretation of the Hofmeister effect of kosmotropic anions on ion transport proteins.
