Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications,especially dye-sensitized solar cells

Research on Chemical Intermediates - A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a...     

Coordination-based self-assembled capsules (SACs) for protein,CRISPR–Cas9, DNA and RNA delivery

Biologics, such as functional proteins and nucleic acids, have recently dominated the drug market and comprise seven out of the top 10 best-selling drugs. Biologics are usually polar, heat sensitive, membrane impermeable and subject to enzymatic degradation and thus require systemic routes of administration and delivery. Coordination-based delivery vehicles, which include nanosized extended metal–organic frameworks (nMOFs) and discrete coordination cages, have gained a lot of attention because of their remarkable biocompatibility, in vivo stability, on-demand biodegradability, high encapsulation efficiency, easy surface modification and moderate synthetic conditions. Consequently, these systems have been extensively utilized as carriers of biomacromolecules for biomedical applications. This review summarizes the recent applications of nMOFs and coordination cages for protein, CRISPR–Cas9, DNA and RNA delivery. We also highlight the progress and challenges of coordination-based platforms as a promising approach towards clinical biomacromolecule delivery and discuss integral future research directions and applications.

SACs can be efficiently used to load biologics such as proteins, CRISPR–Cas9, DNA and RNA and release them on-demand.     

Selenium heterocycles. XXXV . Synthesis and pyrrolysis of aryloxy-, arylthio-, and arylseleno-1,2,3-selenadiazoles

A series of 4-substituted-5-arylthio-1,2,3-selenadiazoles, 4-substituted-5-arylseleno-1,2,3-selenadiazoles and 4-aryloxymethyl-1,2,3-selenadiazoles were synthesized. Pyrrolysis of these compounds afforded the corresponding acetylenes XI, XIII (X = S, Se) and XII, respectively. Oxidation of 4-substituted-5-arylthio-1,2,3-selenadiazoles (XIV) with m-chloroperbenzoic acid gave 4-substituted-5-arylsulfinyl-1,2,3-selenadiazoles (XV) and 4-substituted-5-arylsulfonyl-1,2,3-selenadiazoles (XVI).     

On the fractional-order extended Kalman filter and its application to chaotic cryptography in noisy environment

In this paper via a novel method of discretized continuous-time Kalman filter, the problem of synchronization and cryptography in fractional-order systems has been investigated in presence of noisy environment for process and output signals. The fractional-order Kalman filter equation, applicable for linear systems, and its extension called the extended Kalman filter, which can be used for nonlinear systems, are derived. The result is utilized for chaos synchronization with the aim of cryptography while the transmitter system is fractional-order, and both the transmitter and transmission channel are noisy. The fractional-order stochastic chaotic Chen system is then presented to apply the proposed method for chaotic signal cryptography. The results show the effectiveness of the proposed method.     

Exact boundary controllability of vibrating non-classical Euler–Bernoulli micro-scale beams

This study investigates the exact controllability problem for a vibrating non-classical Euler–Bernoulli micro-beam whose governing partial differential equation (PDE) of motion is derived based on the non-classical continuum mechanics. In this paper, it is proved that via boundary controls, it is possible to obtain exact controllability which consists of driving the vibrating system to rest in finite time. This control objective is achieved based on the PDE model of the system which causes that spillover instabilities do not occur.     

Buoyancy effects on mixed convection heat and mass transfer in a duct with sudden expansions

The present paper deals with the study of heat and mass transfer by mixed convection in an inclined duct preceded with a double step expansion. The control volume based finite element method was used to solve the set of non-dimensional equations for the vorticity, stream function, energy and species conservation. Numerical simulations are carried out for different combinations of the Lewis number, thermal and mass diffusion Grashof numbers for different inclinations. Streamlines, temperature and concentration distributions are presented and discussed. The results show the effect of the secondary flow induced by buoyancy forces and the presence of the double step expansion on the heat and mass transfer mechanism. It is found that the recirculation vortices induced by the expansion can be present along the channel and the flow structure can be wavy. For the vertical orientation, asymmetric fields are observed for the different simulated cases.     

Fluid Structure Interaction of Blood Vessels in Circle of Willis

This work involves studying the role of the Brain Blood Barriers (BBB) on damping the stress applied on brain tissue through blood pressure that is the main cause of brain aneurysm. The numerical simulations are focused on the geometry of the Anterior Communicating Artery (ACoA) because there is a 30 % higher probability for a brain aneurysm in this location. A linear elastic model is used to model the structure part including BBB and brain tissue. Regarding the fluid properties, blood is assumed to behave as a Newtonian fluid. The stress and deformation of the brain tissue is analyzed. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On the fuzzy minimum entropy control to stabilize the unstable fixed points of chaotic maps

This paper presents a fuzzy algorithm for controlling chaos in nonlinear systems via minimum entropy approach. The proposed fuzzy logic algorithm is used to minimize the Shannon entropy of a chaotic dynamics. The fuzzy laws are determined in such a way that the entropy function descends until the chaotic trajectory of the system is replaced by a regular one. The Logistic and the Henon maps as two discrete chaotic systems, and the Duffing equation as a continuous one are used to validate the proposed scheme and show the effectiveness of the control method in chaotic dynamical systems.     

A study of π andK production in proton-uranium and oxygen-uranium interactions at 22 GeV/A using decay muons

The like-sign dimuons copiously recorded in the NA 38 experiment both inp-U and O?U reactions at 200 GeV/nucleon are interpreted as resulting from decays of π andK mesons in comparable proportions. The ++/?? ratio is large (?1.7) and ascribed to theK ⁺ being more copiously produced than theK ^?. Both the average transverse momentum and the ++/?? ratio are comparable forp-U and O?U reactions, and both increase only slightly with the transverse energyE _T .