generating isotherms by molecular simulation of adsorption

... presence of inflammation [18] and fibrosis [19-21] with poor clinical outcome Here, we aimed to determine whether molecular profiling of the liver identifies stages of disease at diagnosis Analysis of ... addition of 33 biopsies to the 14 other biopsies (with a revised classifica- Page of 13 tion for biopsy according to molecular profiling) grouped 43 of 47 (91%) infants into either molecular ... threshold of 1.3 as the cut-off for significance (P < 0.05) Green arrows point to predominantly involved processes transplant was influenced by molecular groups as a function of age at a P-value of...

Ngày tải lên: 11/08/2014, 12:20

... than in PDMS Additionally, Hofmann et al demonstrated that the combination of PALS experiment and molecular simulation could provide a better understanding of VSD by examining PTMSP and two polystyrene ... CHAPTER LITERATURE REVIEW Molecular simulation of polymer membranes was initially reported about 50 years ago [58-62] With the continuous growth of computational power, simulation has been increasingly ... used to improve the accuracy of simulation results [72] A good correlation was identified between diffusivity and molecular size Boshoff et al investigated the effects of polymer motion and model...

Ngày tải lên: 09/09/2015, 10:09

... 0.8 0.6 0.4 0.2 min Fig Time-lapse LSM analysis of OlvasGFP reveals the dynamic nature of the nuage Schematic diagram of the preparation of PGCs of medaka specimen (A) OlvasGFP was expressed in ... suggesting the existence of some interactive cellular partner FRAP analysis of the nuage revealed the slow recovery of OlvasGFP (Fig 3B) When the whole part of the single compartment of nuage was bleached, ... processes of replacement of molecules in granules from other parts of the same granules or from the cytosol We performed a bleaching experiment in a whole part of a single compartment of the granule,...

Ngày tải lên: 18/02/2014, 16:20

... consisted of 85 ng of atdA1A2, 50 ng of atdA3, 60 ng of atdA4A5, lL of 10· Pfu buffer, lL of 10· dNTP (mixture of dATP, dTTP, dGTP, and dCTP, each at a concentration of 100 mm), U of Pfu Turbo ... gene consisted of 150 ng of the pTA2-3 template, 50 pmol each of the forward and reverse primers, 10 lL of 10· Taq polymerase buffer, lL of 25 mm MgCl2, 10 lL of 10· dNTP, 1.25 U each of Taq DNA ... lack of characterization of the structural determinant of the substrate specificity of the AtdA enzyme has thus limited its development as a biocatalyst for the bioremediation of a wide range of...

Ngày tải lên: 19/02/2014, 02:20

... well as recommendations [7, 8] VNU Journal of Science, Nat., Sci., & Tech., T.XXI, N02, 2005 Preliminary assessment and simulation of the water quality of Operating model with observed data for ... Ninh, Hà Nội, 1998, 60 trang VNU Journal of Science, Nat., Sci., & Tech., T.XXI, N02, 2005 Preliminary assessment and simulation of the water quality of Trần Đức Hạ, Báo cáo đề tài nghiên cứu ... exceeding the limited value of class B - surface waters quality standard of Vietnam (TCVN 5942/95/B) [4, 9] The two reasons for this situation are the discharges of cattle waste into channels...

Ngày tải lên: 05/03/2014, 10:20

... confirmed by the kinetic analysis of a purified GPI-anchorless soluble version of the mutant protein The Kcat ⁄ Km value of the mutant TNSALP was less than one-tenth of the Kcat ⁄ Km value of the ... or presence of doxycycline (DOX) and analyzed by SDS-PAGE in the absence (Nonred) or presence (Red) of 2-mercaptoethanol, followed by immunoblotting An arrowhead indicates the top of the gel Fig ... Authors Journal compilation ª 2008 FEBS N Numa et al Molecular basis of perinatal form of hypophosphatasia Table Kinetic parameters of soluble forms of the wild-type TNSALP and the TNSALP (V406A) mutant...

Ngày tải lên: 07/03/2014, 05:20

... distance-dependent dielectric screening of 4Ær and no cut-off was used Minimum-energy conformers of b- and a-amino acids were generated by molecular dynamics at high temperature followed by energy minimization ... response of these agonists could be explained by the number of receptors to be occupied by these agonists to get activation of the second messenger cascade as reported [40] Enzymatic degradation of ... by restrained molecular dynamics Nevertheless, the similar patterns of Ha and Ca CSDs suggest that the different SP analogues may adopt conformations of their peptide backbone close to that of...

Ngày tải lên: 08/03/2014, 08:20

... Detection of chymotryptic peptides modified by nondeuterated and deuterated cross-linkers by MALDI-TOF-TOF mass spectrometry A selection of mass spectra illustrates how the comparison of chymotryptic ... presence of Ure2p and Ssa1p in all protein complexes (Fig 1B) The extent of Ure2p–Ssa1p complex formation was significantly higher in the presence of ADP than in the presence of ATP, as seen by SDS ... binding of BS2G-d0 ⁄ d4 (A) and BS3d0 ⁄ d4 (B) is observed The peptides indicated by arrowheads were identified by exact mass measurement The peptide labeled by curved arrows was identified by tandem...

Ngày tải lên: 15/03/2014, 00:20

... 5¢-region of Pem-GIH The negative PCR is indicated by )ve The actin transcript of P monodon was used as an internal control of the amount of RNA template Each panel shows tissue distribution of Pem-GIH ... of Pem-GIH cDNA in this study GIH-specific dsRNA was synthesized from a 240 bp coding region of the mature Pem-GIH The use of long dsRNA provides the possibility of generating more varieties of ... identity of RT-PCR products was confirmed by DNA sequencing was a potent tool for functional study of Pem-GIH in the shrimp Biological assay for vitellogenesis-inhibiting activity of Pem-GIH by dsRNA-mediated...

Ngày tải lên: 23/03/2014, 07:20

... Klionsky DJ (2003) The molecular mechanism of autophagy Mol Med 9: 6576 * Corresponding Author 36 Molecular Regulation of Endocytosis [7] Klionsky DJ (2005) The molecular machinery of autophagy: unanswered ... has been determined by taking advantage of assembly-deficient mutants (66,67) Insight into the organization of assembled dynamin multimers has been gained by computer docking of domain crystal ... sequestered in the lumen of Vid vesicles [44] Addition of 2% Triton X-100 to permeabilize the Vid vesicle membrane resulted in digestion of FBPase by proteinase K Thus, a portion of FBPase is sequestered...

Ngày tải lên: 24/03/2014, 02:21

... Applications of Lasers and Electro-Optics, Laser Institute of America, Orlando, 1999, pp 219–228 [11] J.I Etcheverry, M Mesaros, Molecular dynamics simulation of the production of acoustic waves by pulsed ... International Journal of Heat and Mass Transfer 46 (2003) 45–53 47 Table The values of the parameters used in the simulation Parameter Fig Schematic of the computational domain for MD simulations Value ... results obtained by the MD simulation and the analytical solution It is seen that in the near surface region, the temperature obtained by the MD simulation is a little higher than that by the analytical...

Ngày tải lên: 06/05/2014, 08:54

... amorphous structure of fused silica at 300 K through a so-called “quenching” procedure [10] The structure of the Molecular dynamics simulation of ultrafast laser ablation of fused silica film ... as in (1), qA is the charge of the ion, k is the index of structure layer, rk is the distance between the ion and the center of layer k, and nk is the number density of free electrons in layer ... distributions of absorbed laser energy and free electron density are obtained by solving a wave propagation equation coupled with a rate equation of free electron generation [9] The number of free...

Ngày tải lên: 06/05/2014, 08:54

... section III II THEORY OF MD SIMULATION Molecular dynamics simulation is a computational method to investigate the behavior of materials by simulating the atomic motion controlled by a given potential ... the surface of the target by scaling velocities of atoms in cells on the top surface, and the same amount of heat flux is dissipated from the bottom of the target by scaling velocities of atoms ... with an interval of 10-6 σ Laser energy absorption in the material is simulated by scaling the velocities of all atoms in each structural cell by an appropriate factor The amount of energy deposited...

Ngày tải lên: 06/05/2014, 08:55

... section III II THEORY OF MD SIMULATION Molecular dynamics simulation is a computational method to investigate the behavior of materials by simulating the atomic motion controlled by a given potential ... the surface of the target by scaling velocities of atoms in cells on the top surface, and the same amount of heat flux is dissipated from the bottom of the target by scaling velocities of atoms ... with an interval of 10-6 σ Laser energy absorption in the material is simulated by scaling the velocities of all atoms in each structural cell by an appropriate factor The amount of energy deposited...

Ngày tải lên: 06/05/2014, 08:57

... section III II THEORY OF MD SIMULATION Molecular dynamics simulation is a computational method to investigate the behavior of materials by simulating the atomic motion controlled by a given potential ... the surface of the target by scaling velocities of atoms in cells on the top surface, and the same amount of heat flux is dissipated from the bottom of the target by scaling velocities of atoms ... with an interval of 10-6 σ Laser energy absorption in the material is simulated by scaling the velocities of all atoms in each structural cell by an appropriate factor The amount of energy deposited...

Ngày tải lên: 06/05/2014, 08:59

... is maximized by controlling fermentation temperature by simulation As per simulation there are two product streams Simulation is done for both product lines separately 3.1.1 Effect of Fermenter ... Only sucrose of this diluted sugar is degraded by invertase enzyme, this process is referred to as hydrolysis Glucose and fructose are obtained by hydrolysis of sucrose The conversion of sucrose ... used in this tower Ethanol content of the gas stream leaving the condenser of this tower is low and its flow rate is also kept very low By this stream rest of the CO2 Ruhul Amin M, et al., JOE,...

Ngày tải lên: 08/05/2014, 13:48

... study, by transmission electron microscopy [TEM], we investigated the effect of substrate, GeMn/Ge thickness, Mn concentration, and growth temperature on the structure of GeMn nanodots grown by molecular ... ‘superlattices’ grown by molecular beam epitaxy with different growth conditions have been systematically investigated by transmission electron microscopy It is revealed that periodic arrays of GeMn nanodots ... Division of Materials, The University of Queensland, Brisbane, QLD 4072, Australia Department of Electrical and Computer Engineering, Iowa State University, Ames, IA, 50011, USA Department of Materials...

Ngày tải lên: 18/06/2014, 22:20

... growth of the {111} Page of sidewalls, giving rise to a typical rhombohedral crosssection (Figure 6c) In summary, by combining SEM and TEM analysis of group IV semiconductor NWs grown by MBE ... evaporation rate of elemental Si and Ge was measured from the thickness of the two-dimensional film grown on the substrate during the NW growth The morphology of the NWs was investigated by electron ... the first types of NWs are rarely higher than the overgrown Ge layer, while for the second type of NWs, the part of the NWs that surpasses the overgrown Ge layer can reach a length of μm when the...

Ngày tải lên: 21/06/2014, 05:20

... GaN-on-silicon substrate by a combination of EB lithography, FAB etching of GaN and DRIE of silicon The patterned growth of InGaN/GaN QWs is performed on the processed GaN template by MBE Nanoscale grating ... GaN-on-silicon substrate by a combination of EB lithography, FAB etching of GaN and DRIE of silicon [20] Figure illustrates scanning electron microscope (SEM) images of fabricated freestanding ... the development of backside thinning technique by wet etching of Al-based compounds, some freestanding epitaxial slabs are damaged in the wet etching process The measured thickness of epitaxial...

Ngày tải lên: 21/06/2014, 05:20