Searching for optimal setting conditions in technological processes using parametric estimation models and neural network mapping approach: A tutorial

Engineering optimization is an actual goal in manufacturing and service industries. In the tutorial we represented the concept of traditional parametric estimation models (Factorial Design (FD) and Central Composite Design (CCD)) for searching optimal setting parameters of technological processes. Then the 2D mapping method based on Auto Associative Neural Networks (ANN) (particularly, the Feed Forward Bottle Neck Neural Network (FFBN NN)) was described in comparison with traditional methods.     

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.     

Chemometric experimental design based optimization techniques in capillary electrophoresis: a critical review of modern applications

A critical review of recent developments in the use of chemometric experimental design based optimization techniques in capillary electrophoresis applications is presented. Current advances have led to enhanced separation capabilities of a wide range of analytes in such areas as biological, environmental, food technology, pharmaceutical, and medical analysis. Significant developments in design, detection methodology and applications from the last 5 years (2002–2007) are reported. Furthermore, future perspectives in the use of chemometric methodology in capillary electrophoresis are considered.     

Photo-Activated Circularly Polarized Luminescence Film Based on Aggregation-Induced Emission Copper(I) Cluster-Assembled Materials

In this study, a pair of chiral copper(I) cluster-assembled materials (R/S- 2 ) was prepared, exhibiting unique photo-response characteristics with a concentration-wavelength correlation property in DMSO solution. By the combination of R/S- 2 with a polymethyl methacrylate (PMMA) matrix, the first photo-activated circularly polarized luminescence (CPL) film was developed, the CPL signal (g_lum=9×10⁻³) of which could be induced by UV light irradiation. Moreover, the film exhibited a reversible photo-response and extremely good fatigue resistance. Mechanism study revealed that the photo-response properties of the R/S- 2 solution and film are attributed to the aggregation-induced emission (AIE) characteristics of R/S- 2 and a photo-induced deoxygenation process. This study enriches the types of luminescent cluster-assembled molecules and provides a new strategy for the construction of metal cluster-based stimuli-responsive composite materials.     

Electrochemical Synthesis of Chitosan‐co‐polyaniline/WO3⋅nH2O Composite Electrode for Amperometric Detection of NO2 Gas

An electrode of hydrated tungsten oxide (WO₃?nH₂O) embedded chitosan‐co‐polyaniline (CHIT‐co‐PANI) composite was electrochemically prepared on an indium tin oxide (ITO) coated glass surface using mineral acid as a supporting electrolyte. The resulting CHIT‐co‐PANI/WO₃?nH₂O/ITO electrode was characterized using ultraviolet‐visible spectroscopy (UV‐vis), Fourier transform infrared spectroscopy (FTIR), cyclic voltammetry (CV), and scanning electron microscopy (SEM). The composite electrode exhibited a three‐dimensional nanofibrous structure with the diameter of the nanofibers ranging from 20 to 100 nm. The CHIT‐co‐PANI/WO₃?nH₂O/ITO electrode allowed for the low potential detection of NO₂ gas in acidic medium. The NO₂ gas sensing characteristics were studied by measuring change in the current with respect to concentration and time. Using the CHIT‐co‐PANI/WO₃?nH₂O/ITO electrode, NO₂ gas was detected electrochemically without interference at pH 2.0 and 0.25 V vs. Ag/AgCl. The current of the electrochemical cell with the CHIT‐co‐PANI/WO₃?nH₂O/ITO electrode decreased linearly with an increase in NO₂ gas concentration in a range from 100 to 500 ppb with a response time of eight seconds.     

An adaptive radial basis algorithm (ARBF) for expensive black-box global optimization

Powerful response surface methods based on kriging and radial basis function (RBF) interpolation have been developed for expensive, i.e. computationally costly, global nonconvex optimization. We have implemented some of these methods in the solvers rbfSolve and EGO in the TOMLAB Optimization Environment (http://www.tomopt.com/tomlab/). In this paper we study algorithms based on RBF interpolation. The practical performance of the RBF algorithm is sensitive to the initial experimental design, and to the static choice of target values. A new adaptive radial basis interpolation (ARBF) algorithm, suitable for parallel implementation, is presented. The algorithm is described in detail and its efficiency is analyzed on the standard test problem set of Dixon–Szegö. Results show that it outperforms the published results of rbfSolve and several other solvers.     

Optimization of Algerian rosemary essential oil extraction yield by supercritical CO2 using response surface methodology

The present study deals with the determination of optimal values of operating parameters such as temperature and pressure leading to the best yield of a supercritical CO₂ extraction of essential oil from local rosemary plants, using the response surface methodology (RSM). The maximum of essential oil recovery percentage relative to the initial mass of leaf powder was 3.52 wt%, and was obtained at 313 K and 22 MPa.A second-order polynomial was used to express the oil recovery and the calculated mass of recovered oil using the RSM was very close to the experimental value, confirming the reliability of this technique.The chemical composition of the Algerian rosemary oil under the obtained optimal conditions (313 K and 22 MPa), determined by GC–MS analysis, revealed the presence of camphor (major compound) (52.12%), 1,8-cineole (9.65%), camphene (7.55%), α-pinene (6.05%), borneol (3.52%), aroma dendrene (2.11%), verbenone (1.97%), α-caryophyllene (1.71%), and others.     

Optimized and validated high‐performance liquid chromatography method for the determination of deoxynivalenol and aflatoxins in cereals

A simple, sensitive and accurate analytical method was optimized and developed for the determination of deoxynivalenol and aflatoxins in cereals intended for human consumption using high‐performance liquid chromatography with diode array and fluorescence detection and a photochemical reactor for enhanced detection. A response surface methodology, using a fractional central composite design, was carried out for optimization of the water percentage at the beginning of the run (X1, 80–90%), the level of acetonitrile at the end of gradient system (X2, 10–20%) with the water percentage fixed at 60%, and the flow rate (X3, 0.8–1.2 mL/min). The studied responses were the chromatographic peak area, the resolution factor and the time of analysis. Optimal chromatographic conditions were: X1 = 80%, X2 = 10%, and X3 = 1 mL/min. Following a double sample extraction with water and a mixture of methanol/water, mycotoxins were rapidly purified by an optimized solid‐phase extraction protocol. The optimized method was further validated with respect to linearity (R²>0.9991), sensitivity, precision, and recovery (90–112%). The application to 23 commercial cereal samples from Greece showed contamination levels below the legally set limits, except for one maize sample. The main advantages of the developed method are the simplicity of operation and the low cost.     

Extraction and isolation of lithospermic acid B from Salvia miltiorrhiza Bunge using aqueous two‐phase extraction followed by high‐performance liquid chromatography

A rapid and effective method integrating separation and purification of lithospermic acid B from Salvia miltiorrhiza Bunge was developed by combining an aqueous two‐phase system extraction with preparative chromatography. An aqueous two‐phase system of n‐butyl alcohol/KH₂PO₄ was chosen from seven systems. The influence of parameters including concentration of KH₂PO₄, n‐butyl alcohol concentration, pH, and the ratio of an aqueous two‐phase system to crude extract were investigated using a single factor design. Response surface methodology was subsequently used to find the optimal compositions of an aqueous two‐phase system. Keeping a solvent‐to‐solid ratio of 10, the final optimized composition of an aqueous two‐phase system was 39.1% w/w n‐butyl alcohol and 22.6% w/w KH₂PO₄. Under these conditions a recovery yield of 99.8% and a high partition coefficient of 310.4 were obtained. In a pilot‐scale experiment using optimized conditions, 18.79 g of lithospermic acid B with a purity of 70.5% and in a yield of 99.8% was separated from 0.5 kg of crude extract. Subsequently, 9.94 g lithospermic acid B with a purity of 99.3% and recovery yield of 70.3% was obtained with a preparative chromatographic process, and the two‐step total recovery was 70.1%.