State‐of‐the‐Art and Trends in Synthesis,Properties, and Application of Quantum Dots‐Based Nanomaterials

Quantum dots (QDs) with a nanoscale size range have attracted significant attention in various areas of nanotechnology due to their unique properties. Different strategies for the synthesis of QD nanoparticles are reported in which various factors, such as size, impurities, shape, and crystallinity, affect the QDs fundamental properties. Consequently, to obtain QDs with appropriate physical properties, it is required to select a synthesis method which allows enough control over the surface chemistry of QDs through fine‐tuning of the synthesis parameters. Moreover, QDs nanocrystals are recently used in multidisciplinary research integrated with biological interfaces. The state‐of‐the‐art methods for synthesizing QDs and bioconjugation strategies to provide insight into various applications of these nanomaterials are discussed herein.     

A constrained error-based MPC for path following of quadrotor with stability analysis

This paper proposes a linear constrained model predictive control (MPC) to solve the path following problem for quadrotor unmanned aerial vehicles. In the controller, an augmented model is employed to completely eliminate the tracking error due to external disturbances imposed on the quadrotor. The proposed controller is capable of improving the trade-off between feasibility and performance of the system. By approximating the control input sequence in MPC with Laguerre function, the computational burden significantly decreases and the closed-loop performance improves. In addition, a prescribed stability procedure is applied to guarantee the asymptotic stability of the quadrotor error dynamics. Besides, the proposed method improves the numerical ill-conditioning problem in solving MPC, by modifying the position of the closed-loop system poles to lie inside the unit circle. In the simulation results, two scenarios for the quadrotor tracking problem are considered. The results demonstrate the capability and the effectiveness of the proposed control strategy in disturbance rejection, fast trajectory tracking and the quadrotor stability, while a desired performance is achieved.     

Finite element and experimental method for analyzing the effects of martensite morphologies on the formability of DP steels

Abstract

In this article, we investigated the effect of martensite morphology on the mechanical properties and formability of dual phase steels. At first, three heat treatment cycles were subjected to a low-carbon steel to produce ferrite–martensite microstructure with martensite morphology of blocky-shaped, continuous, and fibrous. Tensile tests were then carried out so as to study mechanical properties, particularly the strength and strain hardening behavior of dual phase steels. In order to study the formability of dual phase samples, Forming Limit Diagram was obtained experimentally and numerically. Experimental forming limit diagram was obtained using Nakazima forming test, while Finite Element Method was utilized to numerically predict the forming limit diagram. The results indicated that the dual phase samples with fibrous martensite morphology had the highest tensile properties and strain rate hardening out of the three different microstructures. Blocky-shaped martensite morphology, on the other hand, had the worst mechanical properties. The study of the strain hardening behavior of dual phase sample by Kocks–Mecking-type plots, evinced two stages of strain hardening for all specimens with different microstructures: stages III and IV. The forming limit diagram of dual phase steels also proved that samples with fibrous martensite morphology had the best formability compared to other two microstructures. The simulated forming limit diagram manifested that there is a good agreement between experimental results and those obtained by FEM.     

Computational prediction and experimental selectivity coefficients for hydroxyzine and cetirizine molecularly imprinted polymer based potentiometric sensors

In spite of the increasing usages number of molecularly imprinted polymers (MIPs) in many scientific applications, the theoretical aspects of participating intra molecular forces are not fully understood. This work investigates effects of the electrostatic force, the Mulliken charge and the role of cavity's backbone atoms on the selectivity of MIPs. Moreover, charge distribution, which is a computational parameter, was proposed for the prediction of the selectivity coefficients of MIP-based sensors. In the computational approaches and experimental study, methacrylic acid (MAA) was chosen as the functional monomer and ethylene glycol dimethacrylate (EGDMA) as the cross linker for hydroxyzine and cetirizine imprinted polymers. Ab initio, DFT B3LYP method was carried out on molecular optimization. With regard to results obtained from molecules optimization and hydrogen bonding properties, possible configurations of 1:n (n ≤ 5) template/monomer complexes were designed and optimized. The binding energy for each complex in gas phase was calculated. Depending on the most stable configuration, hydroxyzine and cetirizine imprinted polymer models were designed. The calculations including the porogen were also investigated. The theoretical charge distributions for the template and some potential interfering molecules were calculated. The results showed a correlation between the selectivity coefficients and the theoretical charge distributions. The results surprisingly show that charge distribution based model was able to predict the selectivity coefficients of MIP based potentiometric sensors.     

Chemometric study of the aggregation of alcohol dehydrogenase and its suppression by beta-caseins: a mechanistic perspective

Molecular chaperones interact preferentially with certain aggregation-prone intermediates of target protein molecules. An estimation of the chaperone activity based on suppression of aggregation is required to be mechanistically understood. In this study, the multivariate curve resolution chemometric technique was applied on horse alcohol dehydrogenase (ADH) UV-spectra under thermal stress, to obtain the required information about the number and change in concentrations of the species involved. Chemometric analysis of UV-absorption spectra of horse ADH under thermal stress, led to the existence of three different molecular species including native (N), aggregation-prone intermediate (I) and final aggregate (A) species. Appearance and buildup of two molecular species I and A were connected to the disappearance of N-species. In the presence of β-caseins (BCN), however, a new complex between I and BCN (I-BCN) was formed. Meanwhile, by accretion of concentration of I-BCN complex, the light scattering intensity diminished. The data presented in this study clearly demonstrate that the interaction of BCN as a chaperone molecule with I-species takes place in a temperature-dependent manner and leads to a reversible I-BCN complex. In the absence of chaperones, I-state is subsequently converted to the final aggregate species. In the presence of BCN, this molecular species could be converted to the final aggregate state and/or form the I-BCN complex.     

A bucky gel consisting of Fe3O4 nanoparticles,graphene oxide and ionic liquid as an efficient sorbent for extraction of heavy metal ions from water prior to their determination by ICP-OES

Microchimica Acta - Bucky gels are gelatinous composite materials consisting of carbon nanotubes and ionic liquids. The authors describe the synthesis of a bucky gel containing Fe3O4 nanoparticles...