atomistic modeling of enantioselection applications in chiral chromatography

... dependence of kinetic nanofriction We use the Einstein’s theory of Brownian motion to analyze the surface diffusion of the C60 admolecule on graphene, and show that the decrease of kinetic nanofriction ... regimes of surface diffusion in C60/graphene system according to the effect of temperature and rotational degrees of freedom (DOFs) of the admolecule In the case of rotational C60 (the set of arrows ... determine the kinetic nanofriction of mobile adsorbates [72] The Einstein’s theory of Brownian motion, which is widely applied in microsystems, provides a link between the diffusion coefficient of...

Ngày tải lên: 08/09/2015, 17:49

... broken lines) TAG mobilization during pre-logarithmic growth as a function of time The thin dotted line represents a linear fit of the experimental data in the range 0.25–4 h The calculated lines ... proportional to the change in the surface area of the cell As membranes are typically of constant thickness, any increase in membrane material results in a gain of membrane surface In fact, Fig shows ... hydrolysis of TAG or DAG, and the subsequent re-acylation of glycerol-3-phosphate (Fig 3) Interestingly, inactivation of DAG kinase activity resulted in a comparable TAG mobilization rate; in fact,...

Ngày tải lên: 16/03/2014, 04:20

... the vicinity of the adsorbate involving a simple deformation of the orbitals The binding energy of the adsorbate is Ew and corresponds to the loss of free energy of the system during the adsorption ... determine the electrical features of a grain and to take into account the various mechanisms taking part in electric conduction Indeed, by supposing that the film consists of an homogeneous stacking ... model a thin polycrystalline layer made up of grains which have a great disparity of shape and size In this work, the grains are supposed to be quasi-spherical, identical in size, and single-crystal...

Ngày tải lên: 20/03/2014, 13:04

... sites is defined as inter-cell interference The ratio of the intra-site interference to inter-site interference is defined as R= Iintra Iinter (14) From the simulation results illustrated in Figure ... the center of all paths in one cycle, the coordinate system in which the angle spread is minimized need to be determined Offset values are obtained by subtracting the mean angles of all paths ... configuration is × in downlink For intra-site CoMP, the joint processing with block diagonalization algorithm is adopted [19] since the downlink CSI can be obtained at the eNB by uplink sounding The detailed...

Ngày tải lên: 20/06/2014, 21:20

... Pattavina and A Parini, “Modelling voice call interarrival and holding time distributions in mobile network,” in Proceedings of the 19th International Teletraffic Congress (ITC ’05), Beijing, China, ... dropped, distinguishing causes of dropping To exclude any in uence of temporary or local phenomena, the analysis was repeated in different hours during the day for both single cells and cluster of cells ... new modeling of the call dropping process Using statistical tools on measured data from a real network, we have characterized dropped calls and call durations (distinguishing between ringing...

Ngày tải lên: 22/06/2014, 06:20

... parameters with p representing the limiting probability of division of progenitor cells as the number of cycles tends to infinity In our analysis of the time lapse data in the next section we proceeded ... assumptions behind our model of oligodendrocyte development in cell culture In what follows, we describe our experimental findings in the context of the model presented in Section Each element of the ... O-2A/OPCs increases in the presence of thyroid hormone The probability of differentiation increases from 0.07 in Generation to 0.21 in Generation in the absence of thyroid hormone and from 0.18 in Generation...

Ngày tải lên: 13/08/2014, 23:20

... (15% increase in precision) while pertaining diversity (91% inter-list diversity) in the recommendation list in a scalable fashion (quasi-linear increase of response time with an increase of user-base) ... resulting in an increase of its popularity Moreover, the investigation of the model in three different time-windows centering around an event reveals that at the time of the event, the effect of the ... highly dynamic in nature We anticipated that a promising solution of these issues could be a diminution in the cardinality of the large user-item rating matrix Thus, instead of generating associations...

Ngày tải lên: 09/09/2015, 08:12

... existing modeling works that are relevant to the studies conducted in this thesis is also presented in this chapter 2.1 Theories of mathematical modeling Employing mathematical modeling in the ... following literature review mainly focuses on the theories used in setting up the modeling framework of lithium-ion batteries Apart from reviewing the theories for battery modeling, a review of ... comprising a single cell; (d) agglomerate structure of lithium in active material in the electrodes Roman numerals: indicating the interfaces and boundaries of these layers 72 6.2 Validation of...

Ngày tải lên: 09/09/2015, 08:12

... declare that the thesis is my original work and it has been written by me in its entirety I have duly acknowledged all the sources of information which have been used in the thesis This thesis has ... information which have been used in the thesis This thesis has also not been submitted for any degree in any university previously _ Karthik Somasundaram 17 October 2012 à ...

Ngày tải lên: 09/09/2015, 17:54

Ngày tải lên: 11/09/2015, 10:02

... neighboring grains thus results in the shrinkage of fine grains being consumed by coarse grains The existing understanding of the sintering and grain growth have been developed with the use of conventional ... for industrial applications Keywords: PIM, Nanosized Powder, Sintering, Modeling, Grain Coalescence IX Grain Coalescence and Modeling of Nanosized Zirconia in Solid-State Sintering LIST OF FIGURES ... probability of grain coalescence in solid-state sintering 1.4.2 Grain Coalescence in Fine Grain Structure Direct observation of grain coalescence in fine grain structure, without the present of liquid...

Ngày tải lên: 14/09/2015, 08:24

... to examine the effect of sidewall friction in analyzing a backwater profile in a straight rectangular channel 2.2 Depth-averaged Model in Generalized Curvilinear Coordinate System In solving these ... water surface profile into vertical intake In this regard, the model showed its applicability in computing the flow into intake with air-entrainment The model was also applied to investigate the ... The concept of simple Rankine vortex that including two parts: free vortex in outer zone and forced vortex in inner zone (Townson 1991)………………………………………33 Figure 4.5 Definition of coordinate components……………………………….36...

Ngày tải lên: 06/11/2012, 10:35

... enantiomers individually in in vivo samples during drug development to evaluate pharmacokinetics, which will lead to assessment of the potential of interconversion and the ADME profile of individual ... building blocks The nomenclature of calixarene is straightforward to count the number of repeating units in the ring and include it in the name, i.e calix[4]arene has four units in the ring The ... totally nine chiral centers in a rifamycin SV molecule as shown in Fig 2.4 Similar to vancomyin, the multiple functional groups in rifamycin SV molecule allow it for multiple interactions with chiral...

Ngày tải lên: 09/09/2015, 08:12

... tip of the syringe needle in a stirred aqueous sample containing the analytes of interest After extraction, the extraction droplet is withdrawn back into the microsyringe and introduced to instrument ... range of applications The properties of hybrid materials may be a linear combination of the properties of the individual components or entirely new properties not observable in the materials individually ... allows microfiltration of the sample, resulting in clean extracts It should be noted that the manipulation of the hollow fiber when placing it at the tip of the needle of the microsyringe before...

Ngày tải lên: 09/09/2015, 10:18

... thicker coating However, the main drawback of this technique is that the introduction and desorption of extracting membrane in the GC injection liner is quite complicated PC-HFME was developed in our ... rate of 1.7 ml/min The following temperature program was employed: initial temperature of 60 °C for min; increased at 10 °C/min to 260 °C, held for The injector temperature was 270 °C and all injections ... a drain in a residential state in the north of Singapore Tap water samples (directly potable) were collected from our laboratory in the Department of Chemistry, National University of Singapore...

Ngày tải lên: 14/09/2015, 11:45

... University of Singapore for the award of research scholarship and Institute of Chemical and Engineering Science Ltd for the financial support to carry out the research work reported herein Finally, ... as chiral selectors 62 3 Influence of side chain length of the alkylimidazolium substituents on the enantioseparation ability of single-isomer imidazolium-β-CDs in CE 62 3 Determination ... Synthesis of positively charged single-isomer cyclodextrins 33 Approached for cyclodextrins 33 2 Synthesis of single-isomer positively charged cyclodextrins 37 2 Synthesis of...

Ngày tải lên: 16/09/2015, 08:30

... molecules capable of entering (in whole or in part) the cavity and forming noncovalent host-guest inclusion complexes Almost all applications of CDs involve complexation The mechanism of inclusion complexation ... criterion; also achiral interactions will occur In these cases, separation optimization should be accomplished by maximizing the 3-point chiral interactions’ at the expense of the non -chiral interactions ... uncharged species using this chiral selector Among the many proteins used as chiral selector in CE, bovine serum albumin (BSA) is most widely applied [84, 85] The mechanism, involved in chiral recognition...

Ngày tải lên: 16/09/2015, 08:30