The recent progress of functionally graded CNT reinforced composites and structures

In the last decade,the functionally graded carbon nanotube reinforced composites(FG-CNTRCs)have attracted considerable interest due to their excellent mechanical properties,and the structures made of FG-CNTRCs have found broad potential applications in aerospace,civil and ocean engineering,automotive industry,and smart structures.Here we review the literature regarding the mechanical analysis of bulk CNTR nanocomposites and FG-CNTRC structures,aiming to provide a clear picture of the mechanical modeling and properties of FG-CNTRCs as well as their composite structures.The review is organized as follows:(1)a brief introduction to the functionally graded materials(FGM),CNTRCs and FG-CNTRCs;(2)a literature review of the mechanical modeling methodologies and properties of bulk CNTRCs;(3)a detailed discussion on the mechanical behaviors of FG-CNTRCs;and(4)conclusions together with a suggestion of future research trends.     

Design consideration and modelling studies of ultrasound and ultraviolet combined approach for shelf-life enhancement of pine apple juice

Although both ultraviolet (UV) radiation and ultrasound (US) treatment have their capabilities in microbial inactivation, applying any one method alone may require a high dose for complete inactivation, which may affect the sensory and nutritional properties of pineapple juice. Hence, this study was intended to analyse and optimise the effect of combined US and UV treatments on microbial inactivation without affecting the selected quality parameters of pineapple juice. US treatment (33 kHz) was done at three different time intervals, viz. 10 min, 20 min and 30 min., after which, juice samples were subjected to UV treatment for 10 min at three UV dosage levels, viz. 1 J/cm², 1.3 J/cm², and 1.6 J/cm². The samples were evaluated for total colour difference, pH, total soluble solids (TSS), titrable acidity (TA), and ascorbic acid content; total bacterial count and total yeast count; and the standardization of process parameters was done using Response Surface Methodology and Artificial Neural Network. The results showed that the individual, as well as combined treatments, did not significantly impact the physicochemical properties while retaining the quality characteristics. It was observed that combined treatment resulted in 5 log cycle reduction in bacterial and yeast populations while the individual treatment failed. From the optimization studies, it was found that combined US and UV treatments with 22.95 min and1.577 J/cm² ensured a microbiologically safe product while retaining organoleptic quality close to that of fresh juice.     

The production of enantiomerically pure 1-phenylethanol by enzymatic kinetic resolution method using response surface methodology

As the enantiomers of 1-phenylethanol are valuable intermediates in several industries, the lipase catalyzed kinetic resolution of (R,S) -1-phenylethanol is a relevant research topic. In this study, the goal was to determine the optimum reaction parameters to produce enantiomerically pure 1-phenylethanol by lipase (Novozyme 435) catalyzed kinetic resolution using response surface methodology (RSM). Reactions were performed with 40–400 mM (R,S)-1-phenylethanol, 120–1200 mM vinyl acetate and 2–22 mg/mL biocatalyst concentrations (BC _L ), at 20–60 °C and with a stirring rate of 50–400 rpm for 5–120 min. The samples were analyzed using high performance liquid chromatography (HPLC) with a Chiralcel OB column. Optimum reaction parameters to reach 100% enantiomeric excess for the substrate ( ee _s ) were determined as follows: substrate concentration (C _s ): 240 mM, BC _L : 11 mg/mL, at 42 °C with a reaction time of 75 min. Model validation was performed using these conditions and ee _s was calculated as 100%, which indicates the predicted model was efficient and accurate. When compared to the literature, it was observed that the reaction time decreased significantly. This is an important result considering the industrial scale perspective.     

Optimization of profenofos organophosphorus pesticide degradation by zero-valent bimetallic nanoparticles using response surface methodology

This study synthesized bimetallic Fe/Ni nanoparticles and used them for catalytic degradation of profenofos, an organophosphorus pesticide. This novel bimetallic catalyst (Fe/Ni) was characterized by scanning electron microscopy (SEM), energy-dispersive X-ray analysis spectroscopy (EDAX) and X-ray diffraction (XRD). The bimetallic nano-catalyst was prepared at diameters of 20–50 nm and was shown to effectively degrade profenofos. A three-factor central composite design combined with response surface methodology was used to maximize profenofos removal using the bimetallic system. A quadratic model was built to predict degradation efficiency. ANOVA was used to determine the significance of the variables and interactions between them. Good correlation between the experimental and predicted values was confirmed by the high F-value (16.38), very low P-value (<0.0001), non-significant lack of fit, an appropriate coefficient of determination (R² = 0.936) and adequate precision (14.75). The highest removal rate attained was 94.51%.     

Efficient removal of As(V) from simulated arsenic-contaminated wastewater via a novel metal–organic framework material: Synthesis,structure, and response surface methodology

A novel metal–organic framework material {[N(C₂H₅)₃][Zn₂(ptmda)₂(μ₂-H₂O)]·(H₂O)_0.5}_n { GUT-3 ; H₂ptmda is 4,4′-([p-tolylazanediyl]bis [methylene])dibenzoic acid} was successfully synthesized using the hydrothermal method and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. GUT-3 has a two-dimensional network based on dinuclear [Zn₂(ptmda)₂(μ₂-H₂O)]⁻ building units which formed an eightfold interpenetration network in GUT-3 molecules. Hirshfeld surface analysis revealed that H–H, C–H, and O–H bonds accounted for the majority of intermolecular interactions. Moreover, the interactions between GUT-3 and As(V) – the form of As(V) is AsO₄³⁻ – were analyzed in aqueous solutions in a batch system to study the effect of pH, concentration, adsorbent dose, adsorption time, adsorption temperature, and shaking speed. The kinetic and isotherm data of arsenic adsorption on GUT-3 were accurately modeled by pseudo-second-order, Langmuir (q_m = 33.91 mg/g), and Freundlich models. The Box–Behnken response surface method was used to optimize the adsorption conditions of As(V) from the simulated arsenic-contaminated wastewater. The effect of various experimental parameters and optimal experimental conditions was ascertained using the quadratic model.     

Multivariate optimization and comparison between conventional extraction (CE) and ultrasonic-assisted extraction (UAE) of carotenoid extraction from cashew apple

Carotenoids are an essential component of cashew and can be used in pharmaceuticals, cosmetics, natural pigment, food additives, among other applications. The present work focuses on optimizing and comparing conventional and ultrasound-assisted extraction methods. Every optimization step took place with a 1:1 (w:w) mixture of yellow and red cashew apples lyophilized and ground in a cryogenic mill. A Simplex-centroid design was applied for both methods, and the solvents acetone, methanol, ethanol, and petroleum ether were evaluated. After choosing the extractor solvent, a central composite design was applied to optimize the sample mass (59–201 mg) and extraction time (6–34 min). The optimum conditions for the extractor solvent were 38% acetone, 30% ethanol, and 32% petroleum ether for CE and a mixture of 44% acetone and 56% methanol for UAE. The best experimental conditions for UAE were a sonication time of 19 min and a sample mass of 153 mg, while the CE was 23 min and 136 mg. Comparing red and yellow cashews, red cashews showed a higher carotenoid content in both methodologies. The UAE methodology was ca. 21% faster, presented a more straightforward composition of extracting solution, showed an average yield of superior carotenoid content in all samples compared to CE. Therefore, UAE has demonstrated a simple, efficient, fast, low-cost adjustment methodology and a reliable alternative for other applications involving these bioactive compounds in the studied or similar matrix.     

Compressing a Non-Planar Aromatic Heterocyclic [7]Helicene to a Planar Hetero[8]Circulene

This work describes a synthetic approach where a non-planar aromatic heterocyclic [7]helicene is compressed to yield a hetero[8]circulene containing an inner antiaromatic cyclooctatetraene (COT) core. This [8]circulene consists of four benzene rings and four heterocyclic rings, and it is the first heterocyclic [8]circulene containing three different heteroatoms. The synthetic pathway proceeds via a the flattened dehydro-hetero[7]helicene, which is partially a helicene and partially a circulene: it is non-planar and helically chiral as helicenes, and contains a COT motif like [8]circulenes. The antiaromaticity of the COT core is confirmed by nucleus independent chemical shift (NICS) calculations. The planarization from a helically π-conjugated [7]helicene to a fully planar heterocyclic [8]circulene significantly alters the spectroscopic properties of the molecules. Post-functionalization of the [7]helicenes and the [8]circulenes by oxygenation of the thiophene rings to the corresponding thiophene-sulfones allows an almost complete fluorescence emission coverage of the visible region of the optical spectrum (400–700 nm).     

Investigation and optimization of the recovery of coal fines using oil agglomeration process: Use of waste oils from different sectors

The high cost of the bridging liquid subdues the implementation and commercialization of oil agglomeration process. To overcome this problem, waste oils from different sectors were used in this present study. The performance of the process was assessed based on the responses like ash rejection and organic matter recovery. The aim of the present study was to investigate the usage of waste oils from different sectors and to optimize and analyze the behavioral pattern showcased by different variables (pulp density, oil dosage, agglomeration time and oil type) using response surface methodology (Box-Behnken design). Experimental investigation shows that the optimum pulp density, oil dosage, agglomeration time and oil type condition obtained as 3%, 15%, 15?min and waste engine oil, respectively. At optimum condition, the % ash rejection and % organic matter recovery obtained as 63.94% and 81.8%, respectively.     

MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities

The active conformation is part of a conformational mixture with experimental activity Yexp, and is used in QSAR studies to extract more information regarding the ligand-receptor interaction. To reflect the relative amount () of the active conformation, we adjust Yexp : Yadj = Yexp - log . We establish a quantitative structure-activity relationship (QSAR) between Yadj and 3D conformational characteristics for the acetylcholinesterase (AChE) hydrolysis rates of 25 acetic esters. The 3D-QSAR model was obtained using the adjusted multiconformational minimal steric/topologic difference (MTD-ADJ) method, optimizing the receptor map based on Yadj for each conformer. Yadj was updated during each step of the optimization process. and Yadj are based on the Boltzmann distribution calculated using AM1 (MOPAC 6.0) relative energies of the COSMIC 90 derived conformers. The MTD-ADJ results are: (i) the 3D-QSAR models obtained by this procedure have significant statistical parameters and are similar to the unadjusted (MTD-MC, using Yexp) models; (ii) the selected bioactive conformations are extended, occupy cavity vertices and, for the same structures, have the same MTD value; and (iii) the optimized conformational map of the neutral ligands obtained from the MTD-ADJ model fits well in the active site of the crystallographic structure of AChE (from Torpedo californica). We propose a neutral ligands binding site model for AchE. Our results show that MTD-ADJ, which can be implemented in any 3D-QSAR method, is capable of providing additional information regarding the active conformations, and can be used to gain further insight into the ligand-receptor models for which no structural data are available.