Effective surface motion on a reactive cylinder of particles that perform intermittent bulk diffusion

In many biological and small scale technological applications particles may transiently bind to a cylindrical surface. In between two binding events the particles diffuse in the bulk, thus producing an effective translation on the cylindrical surface. We here derive the effective motion on the surface allowing for additional diffusion on the cylindrical surface itself. We find explicit solutions for the number of adsorbed particles at one given instant, the effective surface displacement, as well as the surface propagator. In particular sub- and superdiffusive regimes are found, as well as an effective stalling of diffusion visible as a plateau in the mean squared displacement. We also investigate the corresponding first passage problem.     

Surface-Initiated RAFT Polymerization of 2,3-Dimethyl-1,3-butadiene on Silica Nanoparticles for Matrix-free Methyl Rubber Nanocomposites

Reversible addition-fragmentation chain transfer (RAFT) polymerization of 2,3-dimethyl-1,3-butadiene (DMB) in solution and on the surface of silica nanoparticles was investigated and PDMB-grafted silica nanoparticles (PDMB-g-SiO₂ NPs) with different chain densities and molecular weights were prepared. The kinetic studies of DMB polymerization mediated by silica anchored RAFT agents at different graft densities were investigated and compared to the polymerization mediated by the corresponding free RAFT agent. The PDMB-g-SiO₂ NPs were cured to prepare rubbery films and obtain matrix-free nanocomposites, which exhibited a good dispersion of silica nanoparticles and improved mechanical properties compared to the unfilled crosslinked rubber. © 2020 Wiley Periodicals, Inc. J. Polym. Sci. 2020 , 58, 417–427     

Numerical solutions of time-fractional partial integrodifferential equations of Robin functions types in Hilbert space with error bounds and error estimates

This paper introduces an efficient numerical algorithm for solving a significant class of linear and nonlinear time-fractional partial differential equation governed by Fredholm–Volterra operator in the sense of Robin conditions. A direct approach based on the normalized orthonormal function systems that fitted from the Gram–Schmidt orthogonalization process is utilized to transcribe the problem under study into appropriate Hilbert space. Some functional analysis theories such as upper error bound and convergence behavior under some assumptions which give the hypothetical premise of the proposed calculation are likewise talked about. Mathematical properties of the numerical results obtained are analyzed as well as general features of many numerical solutions have been identified. At long last, the used outcomes demonstrate that the present calculation and mimicked toughening give a decent planning procedure to such models.     

Generalized differential transform method for solving a space- and time-fractional diffusion-wave equation

In this Letter we propose a new generalization of the two-dimensional differential transform method that will extend the application of the method to a diffusion-wave equation with space- and time-fractional derivatives. The new generalization is based on generalized Taylor's formula and Caputo fractional derivative. Theorems that are never existed before are introduced with their proofs. Several illustrative examples are given to demonstrate the effectiveness of the obtained results. The results reveal that the technique introduced here is very effective and convenient for solving partial differential equations of fractional order.     

The role of zinc finger linkers in zinc finger protein binding to DNA

Journal of Computer-Aided Molecular Design - Zinc finger proteins (ZFP) play important roles in cellular processes. The DNA binding region of ZFP consists of 3 zinc finger DNA binding domains...     

β-Sitosterol-D-Glucopyranoside Mimics Estrogenic Properties and Stimulates Glucose Utilization in Skeletal Muscle Cells

Estrogenic molecules have been reported to regulate glucose homeostasis and may be beneficial for diabetes management. Here, we investigated the estrogenic effect of β-sitosterol-3-O-D-glucopyranoside (BSD), isolated from the fruits of Cupressus sempervirens and monitored its ability to regulate glucose utilization in skeletal muscle cells. BSD stimulated ERE-mediated luciferase activity in both ERα and ERβ-ERE luc expression system with greater response through ERβ in HEK-293T cells, and induced the expression of estrogen-regulated genes in estrogen responsive MCF-7 cells. In silico docking and molecular interaction studies revealed the affinity and interaction of BSD with ERβ through hydrophobic interaction and hydrogen bond pairing. Furthermore, prolonged exposure of L6-GLUT4myc myotubes to BSD raised the glucose uptake under basal conditions without affecting the insulin-stimulated glucose uptake, the effect associated with enhanced translocation of GLUT4 to the cell periphery. The BSD-mediated biological response to increase GLUT4 translocation was obliterated by PI-3-K inhibitor wortmannin, and BSD significantly increased the phosphorylation of AKT (Ser-473). Moreover, BSD-induced GLUT4 translocation was prevented in the presence of fulvestrant. Our findings reveal the estrogenic activity of BSD to stimulate glucose utilization in skeletal muscle cells via PI-3K/AKT-dependent mechanism.     

Rational design, synthesis, and evaluation of key analogues of CC-1065 and the duocarmycins

The design, synthesis, and evaluation of a predictably more potent analogue of CC-1065 entailing the substitution replacement of a single skeleton atom in the alkylation subunit are disclosed and were conducted on the basis of design principles that emerged from a fundamental parabolic relationship between chemical reactivity and cytotoxic potency. Consistent with projections, the 7-methyl-1,2,8,8a-tetrahydrocyclopropa[c]thieno[3,2-e]indol-4-one (MeCTI) alkylation subunit and its isomer 6-methyl-1,2,8,8a-tetrahydrocyclopropa[c]thieno[2,3-e]indol-4-one (iso-MeCTI) were found to be 5-6 times more stable than the MeCPI alkylation subunit found in CC-1065 and slightly more stable than even the DSA alkylation subunit found in duocarmycin SA, placing it at the point of optimally balanced stability and reactivity for this class of antitumor agents. Their incorporation into the key analogues of the natural products provided derivatives that surpassed the potency of MeCPI derivatives (3-10-fold), matching or slightly exceeding the potency of the corresponding DSA derivatives, consistent with projections made on the basis of the parabolic relationship. Notable of these, MeCTI-TMI proved to be as potent as or slightly more potent than the natural product duocarmycin SA (DSA-TMI, IC50 = 5 vs 8 pM), and MeCTI-PDE2 proved to be 3-fold more potent than the natural product CC-1065 (MeCPI-PDE2, IC50 = 7 vs 20 pM). Both exhibited efficiencies of DNA alkylation that correlate with this enhanced potency without impacting the intrinsic selectivity characteristic of this class of antitumor agents.     

On the strong field dependence and nonlinear response to gadolinium contrast agent of proton transverse relaxation rates in dairy cream

Dairy cream, as a suspension of lipid droplets in water, is a potentially useful magnetic resonance imaging (MRI) phantom material and an interesting material for studying fundamental relaxation mechanisms. Here we report a strong increase in the transverse relaxation rates with field strength for both the water and lipid protons in dairy cream. Also, studies at 4.7 T reveal a nonlinear response of transverse relaxation rates with increasing concentration of a common gadolinium (Gd)-based contrast agent, including an initial decrease of water relaxation rates as measured with Hahn spin echoes at the lower Gd concentrations. The results are treated within the framework of a model in which the magnetic susceptibility difference between the lipid droplets and the aqueous phase plays the prominent role for transverse relaxation. Second-order polynomial fits of the water proton transverse relaxation rate dependence on field strength and on Gd concentration at 4.7 T provided experimental parameters from which model parameters are extracted and compared with expectations available from the literature.     

An analysis of the stability of the least square finite difference scheme and its shock capturing ability in inviscid flows

A meshless method – The Least Square Finite Difference scheme (LSFD) with diffusion is analyzed and applied to inviscid flows. The scheme is made second-order by using a modified difference in the formulation of LSFD. Several numerical experiments, namely the Sod shock tube and the shallow water problems, are carried out and, in the limelight of the results obtained, the ability of the scheme to resolve shock wave, rarefaction wave, and contact discontinuity is discussed. The conditional stability of the LSFD scheme is established. The LSFD uses weights to diagonalize the least square matrix resulting in the spatial discretization in order to gain computational time. We prove that there exists a unique weight for the resulting optimization problem. The weighted version of LSFD is used to solve the isentropic vortex problem numerically and the results are used to discuss the dissipative nature of the scheme. Five configurations of the two-dimensional Riemann problems are used in our numerical experiments. The capability of the scheme to capture the complex interaction of multiple planar waves is discussed in the limelight of the results on the Riemann problems. The result of the shock reflection problem shows that the scheme is minimally dissipative and leads to sharp and well-resolved shocks.     

A note on phase synchronization in coupled chaotic fractional order systems

The dynamic behaviors of fractional order systems have received increasing attention in recent years. This paper addresses the reliable phase synchronization problem between two coupled chaotic fractional order systems. An active nonlinear feedback control scheme is constructed to achieve phase synchronization between two coupled chaotic fractional order systems. We investigated the necessary conditions for fractional order Lorenz, Lü and Rössler systems to exhibit chaotic attractor similar to their integer order counterpart. Then, based on the stability results of fractional order systems, sufficient conditions for phase synchronization of the fractional models of Lorenz, Lü and Rössler systems are derived. The synchronization scheme that is simple and global enables synchronization of fractional order chaotic systems to be achieved without the computation of the conditional Lyapunov exponents. Numerical simulations are performed to assess the performance of the presented analysis.