On the Pure-injectivity Profile of a Ring

An analog of the injective profile of a ring, with relative injectivity replaced by relative pure-injectivity, is investigated. Emphasis is placed on comparing and contrasting the properties of both profiles. In particular, the analog in this context of the notion of poor modules is considered and properties of pure-injectively poor modules are determined. While we do not know of any ring that does not have pure-injectively poor modules, their existence has not been determined in general. Rings having pure-injectively poor modules of various types are characterized.     

Existence and Non-Existence Results for Quasilinear Elliptic Exterior Problems with Nonlinear Boundary Conditions

Existence and non-existence results are established for quasilinear elliptic problems with nonlinear boundary conditions and lack of compactness. The proofs combine variational methods with the geometrical feature, due to the competition between the different growths of the nonlinearities.     

A lattice Boltzmann fictitious domain method for modeling red blood cell deformation and multiple‐cell hydrodynamic interactions in flow

To model red blood cell (RBC) deformation and multiple‐cell interactions in flow, the recently developed technique derived from the lattice Boltzmann method and the distributed Lagrange multiplier/fictitious domain method is extended to employ the mesoscopic network model for simulations of RBCs in flow. The flow is simulated by the lattice Boltzmann method with an external force, while the network model is used for modeling RBC deformation. The fluid–RBC interactions are enforced by the Lagrange multiplier. To validate parameters of the RBC network model, stretching tests on both coarse and fine meshes are performed and compared with the corresponding experimental data. Furthermore, RBC deformation in pipe and shear flows is simulated, revealing the capacity of the current method for modeling RBC deformation in various flows. Moreover, hydrodynamic interactions between two RBCs are studied in pipe flow. Numerical results illustrate that the leading cell always has a larger flow velocity and deformation, while the following cells move slower and deform less.Copyright © 2013 John Wiley & Sons, Ltd.     

Simulation of two‐phase flow–body interaction problems using direct forcing/fictitious domain–level set method

In the present paper, a direct forcing/fictitious domain (DF/FD)–level set method is proposed to simulate the twophase flow–body interaction. The DF/FD does not sacrifice accuracy and robustness by employing a discrete δ (Dirac delta) function to transfer quantities between the Eulerian nodes and Lagrangian points explicitly as the immersed boundary method. The advantages of this approach are the simple concept, the easy implementation and the utilization of original governing equation without modification. The main idea is to combine DF/FD method with the level set method in the Cartesian coordinates. We present the results of a number of test cases to illustrate the effectiveness of the proposed method for single‐phase flow–body interaction problem and the two‐phase flows with a stationary body. Eventually, the simulations of various water entry problems have been conducted to validate the capability and the accuracy of the present method on solving the twophase flow–body interaction. Consequently, the present results are found to be in good agreement with those of previous studies. Copyright © 2013 John Wiley & Sons, Ltd.     

The roles of cysteines in the heme domain of human soluble guanylate cyclase

Soluble guanylate cyclase(sGC) is a critical heme-containing enzyme involved in NO signaling.The dimerization of sGC subunits is necessary for its bioactivity and its mechanism is a striking and an indistinct issue.The roles of heme domain cysteines of the sGC on the dimerization and heme binding were investigated herein.The site-directed mutations of three conserved cysteines(C78A,C122A and C174S) were studied systematically and the three mutants were characterized by gel filtration analysis,UV-vis spectroscopy and heme transfer examination.Cys78 was involved in heme binding but not referred to the dimerization,while Cys174 was demonstrated to be involved in the homodimerization.These results provide new insights into the cysteine-related dimerization regulation of sGC.     

Controlling domain orientation of liquid crystalline block copolymer in thin films through tuning mesogenic chemical structures

Controlling the macroscopic orientation of nanoscale periodic structures of amphiphilic liquid crystalline block copolymers (LC BCPs) is important to a variety of technical applications (e.g., lithium conducting polymer electrolytes). To study LC BCP domain orientation, a series of LC BCPs containing a poly(ethylene oxide) (PEO) block as a conventional hydrophilic coil block and LC blocks containing azobenzene mesogens is designed and synthesized. LC ordering in thin films of the BCP leads to the formation of highly ordered, microphase‐separated nanostructures, with hexagonally arranged PEO cylinders. Substitution on the tail of the azobenzene mesogen is shown to control the orientation of the PEO cylinders. When the substitution on the mesogenic tails is an alkyl chain, the PEO cylinders have a perpendicular orientation to the substrate surface, provided the thin film is above a critical thickness value. In contrast, when the substitution on the mesogenic tails has an ether group the PEO cylinders assemble parallel to the substrate surface regardless of the film thickness value. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 532–541     

Toward deformation densities for intramolecular interactions without radical reference states using the fragment,atom, localized,delocalized, and interatomic (FALDI) charge density decomposition scheme

A novel approach for calculating deformation densities is presented, which enables to calculate the deformation density resulting from a change between two chemical states, typically conformers, without the need for radical fragments. The Fragment, Atom, Localized, Delocalized, and Interatomic (FALDI) charge density decomposition scheme is introduced, which is applicable to static electron densities (FALDI‐ED), conformational deformation densities (FALDI‐DD) as well as orthodox fragment‐based deformation densities. The formation of an intramolecular NH⋅⋅⋅N interaction in protonated ethylene diamine is used as a case study where the FALDI‐based conformational deformation densities (with atomic or fragment resolution) are compared with an orthodox EDA‐based approach. Atomic and fragment deformation densities revealed in real‐space details that (i) pointed at the origin of density changes associated with the intramolecular H‐bond formation and (ii) fully support the IUPAC H‐bond representation. The FALDI scheme is equally applicable to intra‐ and intermolecular interactions. © 2017 Wiley Periodicals, Inc.     

Time domain topology optimization of 3D nanophotonic devices

We present an efficient parallel topology optimization framework for design of large scale 3D nanophotonic devices. The code shows excellent scalability and is demonstrated for optimization of broadband frequency splitter, waveguide intersection, photonic crystal-based waveguide and nanowire-based waveguide. The obtained results are compared to simplified 2D studies and we demonstrate that 3D topology optimization may lead to significant performance improvements.