Synthesis and characterisation of fluorescent pyrene‐end‐capped polylactide fibres

Fluorescent markers are critical for tracking the position and movement of molecules both in vivo and in vitro. Conventionally, synthetic dyes are non‐covalently added to polymers for fluorescent tracking, but often diffuse away. Here we demonstrate, for the first time, a facile method for the synthesis of fluorescent poly(lactic acid) nano‐/microfibres for biomedical applications using solution spin blowing. Pyrene‐end‐capped poly(l ‐lactide) (PLLA) derivatives were synthesised using the ring‐opening polymerisation of l ‐lactide and they were characterised using spectroscopic and thermal analyses. Submicrometre‐sized fluorescent fibres were produced from these PLLA derivatives using solution blow spinning techniques generating polymer blends and core–shell fibres. Such system could be further exploited to incorporate electrically conductive carbon allotropes via the pyrene aromaticity, producing fluorescent and electrically active fibres for in vitro monitoring and electrical stimulation. © 2018 Society of Chemical Industry     

A novel augmented reality visualization in jaw surgery: enhanced ICP based modified rotation invariant and modified correntropy

Image registration, accuracy, processing time and occlusions are the main limitations of augmented reality (AR) based jaw surgery. Therefore, the main aim of this paper is to reduce the registration error, which will help in improving the accuracy and reducing the processing time. Also, it aims to remove outliers and remove the registration outcomes trapped in local minima to improve the alignment problems and remove the occlusion caused by surgery instrument. The enhanced Iterative Closest Point (ICP) algorithm with rotation invariant and correntropy was used for the proposed system. Markerless image registration technique was used for AR-based jaw surgery. The problem of occlusion caused by surgical tools and blood is solved by using stereo based tracing with occlusion handling techniques. This research reduced alignment error 0.59 mm?~?0.62 mm against 0.69?~?0.72 mm of state-of-the-art solution. The processing time of video frames was enhanced to 11.9?~?12.8 fps against 8?~?9.15 fps in state-of-the-art solution. This paper is focused on providing fast and accurate AR-based system for jaw surgery. The proposed system helps in improving the AR visualization during jaw surgery. The combination of methods and technology helped in improving AR visualization for jaw surgery and to overcome the failure caused by a large rotation angle and provides an initial parameter for better image registration. It also enhances performance by removing outliers and noises. The pose refinement stage provides a better result in terms of processing time and accuracy.

     

Polylactide‐perylene derivative for blue biodegradable organic light‐emitting diodes

In this work we demonstrate, for the first time, the use of polylactic acid (PLA) as a biodegradable host matrix for the construction of the active emissive layer of organic light‐emitting diode (OLED) devices for potential use in bioelectronics. In this preliminary study, we report a robust synthesis of two fluorescent PLA derivatives, pyrene‐PLA ( AH10 ) and perylene‐PLA ( AH11 ). These materials were prepared by the ring opening polymerisation of l ‐lactide with hydroxyalkyl‐pyrene and hydroxyalkyl‐perylene derivatives using 1,8‐diazabicyclo[5.4.0]undec‐7‐ene as catalyst. OLEDs were fabricated from these materials using a simple device architecture involving a solution‐processed single‐emitting layer in the configuration ITO/PEDOT:PSS/PVK:OXD‐7 (35%): AH10 or AH11 (20%)/TPBi/LiF/Al (ITO, indium tin oxide; PEDOT:PSS, poly(3,4‐ethylenedioxythiophene) doped with poly(styrenesulfonic acid); PVK, poly(vinylcarbazole); OXD‐7, (1,3‐phenylene)‐bis‐[5‐(4‐tert‐butylphenyl)‐1,3,4‐oxadiazole]; TPBi, 2,2′,2″‐(1,3,5‐benzenetriyl)tris(1‐phenyl‐1H‐benzimidazole)). The turn‐on voltage for the perylene OLED at 10 cd m^–2 was around 6 V with a maximum brightness of 1200 cd m^–2 at 13 V. The corresponding external quantum efficiency and device current efficiency were 1.5% and 2.8 cd A^–1 respectively. In summary, this study provides proof of principle that OLEDs can be constructed from PLA, a readily available and renewable bio‐source. © 2020 The Authors. Polymer International published by John Wiley & Sons Ltd on behalf of Society of Industrial Chemistry.     

Alternative Hotelling's T2 Charts using Winsorized Modified One‐Step M‐estimator

Hotelling's T² chart is a popular tool for monitoring statistical process control. However, this chart is sensitive in the presence of outliers. To alleviate the problem, this paper proposed alternative Hotelling's T² charts for individual observations using robust location and scale matrix instead of the usual mean vector and the covariance matrix, respectively. The usual mean vector in the Hotelling T² chart is replaced by the winsorized modified one‐step M‐estimator (MOM) whereas the usual covariance matrix is replaced by the winsorized covariance matrix. MOM empirically trims the data based on the shape of the data distribution. This study also investigated on the different trimming criteria used in MOM. Two robust scale estimators with highest breakdown point, namely S_n and T_n were selected to suit the criteria. The upper control limits for the proposed robust charts were calculated based on simulated data. The performance of each control chart is based on the false alarm and the probability of outlier's detection. In general, the performance of an alternative robust Hotelling's T² charts is better than the performance of the traditional Hotelling's T² chart. Copyright © 2012 John Wiley & Sons, Ltd.     

Mean-square error and stability analysis of a subband structure for the rapid identification of sparse impulse responses

In a context of supervised adaptive filtering, the sparsity of the impulse response to be identified can be employed to accelerate the convergence rate of the algorithm. This idea was first explored by the so-called proportionate NLMS (PNLMS) algorithm, where the adaptation step-sizes are made larger for the coefficients with larger magnitudes. Whereas fast initial adaptation convergence rate is obtained with the PNLMS algorithm for white-noise input, slow convergence is observed for colored input signals. The combination of the PNLMS approach and a subband structure results in an algorithm with better convergence rate for sparse systems and colored input signals. In this paper, the steady-state mean-square error (MSE) and the maximum value of the step-size β that allows convergence of the subband PNLMS-type algorithm are analyzed. Theoretical results are confirmed by simulations.     

An assessment of energy benefits of efficient household air-conditioners in Brazil

Increasing efficiency of electrical equipment is essential to national energy rationality, enabling energy consumption reduction and postponing inversion in distribution, transmission and generation, as well as mitigating environmental impacts associated with such activities. Considering such purposes, two actions have been promoted in Brazil: (a) minimum energy performance standards (MEPS) have been required for some appliances and (b) consumers have been informed about the most efficient products by ??endorsement labeling.?? The purpose of this study is to assess window and split air-conditioners with Brazilian MEPS. To evaluate the impact of efficient air-conditioners in this market, a model was developed based on estimates for quantity of equipment in operation and unitary consumption, as determined by local temperature records. From this model, it was deduced that using only efficient conditioners (class A for Brazilian Labeling Program/INMETRO, with PROCEL Label) an annual saving of 322?GWh and a reduction in demand of 109?MW could be obtained in 2007. Furthermore, it was observed that the current MEPS established by Brazilian legislation for air-conditioners may be considered relatively low. Considering that MEPS are similar to those observed in China (the main exporter of air-conditioners to the Brazil), an energy saving of roughly 222?GWh could be achieved in the same year. Impacts on emission of greenhouse gases are also estimated.     

Optimal design of stepped spillways using the HBMO algorithm

Studies on stepped spillways as flood energy dissipators have been conducted to understand the hydraulics on the stepped face of roller-compacted concrete dams as well as overlays of embankment dams. Significant energy losses occur along the stepped chute so that the energy dissipation structure becomes smaller and more economic. In addition, considering the design discharge, downstream face slope, height of spillway, different combinations of spillway width and number of spillway steps may lead to different head losses. In each feasible combination, the remaining head after the steps should be dissipated by downstream energy dissipators. Design and construction of spillways and energy disspators are very cost-consuming and build up a major part of the dam's construction expenses. Thus, the cost of a financially viable stepped spillway project that consists of the steps’ cost and downstream dissipator's cost should be minimised. In this paper, the honey-bee mating optimisation (HBMO) algorithm is used to determine the best combination of design variables so as to minimise the total cost of both spillway chute and stilling basin. Results are compared with those previously obtained by genetic algorithm (GA) and show the promising potential of the HBMO algorithm in this field of application.     

Understanding the Corrosion Inhibition Mechanism of Mild Steel in Hydrochloric Acid by a Triazole Derivative: A Combined Experimental and Theoretical Approach

Protection of Metals and Physical Chemistry of Surfaces - The effect of an heterocycle triazole, namely (1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)methanol (MTM) on the corrosion of mild steel in...     

Molecular Interactions of Tannic Acid with Proteins Associated with SARS-CoV-2 Infectivity

The overall impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on our society is unprecedented. The identification of small natural ligands that could prevent the entry and/or replication of the coronavirus remains a pertinent approach to fight the coronavirus disease (COVID-19) pandemic. Previously, we showed that the phenolic compounds corilagin and 1,3,6-tri-O-galloyl-β-D-glucose (TGG) inhibit the interaction between the SARS-CoV-2 spike protein receptor binding domain (RBD) and angiotensin-converting enzyme 2 (ACE2), the SARS-CoV-2 target receptor on the cell membrane of the host organism. Building on these promising results, we now assess the effects of these phenolic ligands on two other crucial targets involved in SARS-CoV-2 cell entry and replication, respectively: transmembrane protease serine 2 (TMPRSS2) and 3-chymotrypsin like protease (3CLpro) inhibitors. Since corilagin, TGG, and tannic acid (TA) share many physicochemical and structural properties, we investigate the binding of TA to these targets. In this work, a combination of experimental methods (biochemical inhibition assays, surface plasmon resonance, and quartz crystal microbalance with dissipation monitoring) confirms the potential role of TA in the prevention of SARS-CoV-2 infectivity through the inhibition of extracellular RBD/ACE2 interactions and TMPRSS2 and 3CLpro activity. Moreover, molecular docking prediction followed by dynamic simulation and molecular mechanics Poisson–Boltzmann surface area (MMPBSA) free energy calculation also shows that TA binds to RBD, TMPRSS2, and 3CLpro with higher affinities than TGG and corilagin. Overall, these results suggest that naturally occurring TA is a promising candidate to prevent and inhibit the infectivity of SARS-CoV-2.     

An exploration of corrosion inhibition of mild steel in sulphuric acid solution through experimental study and Monte Carlo simulations

Abstract

4-[4-(1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (ITBP) and 4[4-(1H-1,2,4-triazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (TTBP) are synthesized as new heterocyclic compounds of the triazole derivative family and tested successfully as potential inhibitors for MS in 1?M H₂SO₄ corrosive medium by using gravimetric analysis, electrochemical impedance spectroscopy, potentiodynamic polarization, and energy dispersive X-ray spectroscopy (EDX). Polarization curves show that the tested inhibitors are mixed-type inhibitors. Scanning electron microscopy (SEM) affirmed the existence of an adsorbed film on the steel surface. Monte Carlo simulations were in excellent agreement with the experimental tests.

Abbreviation: PDP: Potentiodynamic Polarization; EIS: Electrochemical impedance spectroscopy; DFT: Density functional theory; MC: Monte Carlo