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.     

Parametric error bounds for convex approximations of two-stage mixed-integer recourse models with a random second-stage cost vector

We consider two-stage recourse models with integer restrictions in the second stage. These models are typically non-convex and hence, hard to solve. There exist convex approximations of these models with accompanying error bounds. However, it is unclear how these error bounds depend on the distributions of the second-stage cost vector q. In this paper, we derive parametric error bounds whose dependence on the distribution of q is explicit: they scale linearly in the expected value of the ${?}_1$-norm of q.     

A posteriori error analysis of a quadratic finite volume method for nonlinear elliptic problems

In this article, we construct and analyze a residual-based a posteriori error estimator for a quadratic finite volume method (FVM) for solving nonlinear elliptic partial differential equations with homogeneous Dirichlet boundary conditions. We shall prove that the a posteriori error estimator yields the global upper and local lower bounds for the norm error of the FVM. So that the a posteriori error estimator is equivalent to the true error in a certain sense. Numerical experiments are performed to illustrate the theoretical results.     

Design,synthesis and evaluation of lactoside-derived galectin-3 inhibitors

Based on docking computation, a panel of lactoside derivatives have been designed as galectin-3 inhibitors. Suitable functional group modifications at C′-3 of methyl lactoside were predicted to supply some additional π–cation, π…H–O, and hydrogen bond interactions between the designed substrates and galectin-3 residues. The selected compounds, giving higher TotalScore in docking calculations, were thus synthesized, and their binding affinities toward galectin-3 were evaluated with SPR assay.     

Non parametric estimation of the diffusion coefficients of a diffusion with jumps

In this article, we consider a jump diffusion process ${\left(X_t\right)}_{t\ge 0}$, with drift function $b$, diffusion coefficient $\sigma$ and jump coefficient ${\xi }^2$. This process is observed at discrete times $t=0,\Delta ,\dots ,n\Delta$. The sampling interval $\Delta$ tends to 0 and the time interval $n\Delta$ tends to infinity. We assume that ${\left(X_t\right)}_{t\ge 0}$ is ergodic, strictly stationary and exponentially $\beta$-mixing. We use a penalized least-square approach to compute adaptive estimators of the functions ${\sigma }^2+{\xi }^2$ and ${\sigma }^2$. We provide bounds for the risks of the two estimators.     

New lower bounds on 2-spontaneous emission error designs

The combinatorial object named $t$-spontaneous emission error design ($t$-SEED) was proposed by Beth et al. in 2003 in order to correct errors caused by quantum jumps. The newly rising category of $t$-SEEDs has been studied extensively in recent years. Especially, the maximal possible dimensions for 2-SEEDs with block size 3 were determined completely; lower bounds on 2-SEEDs were established by applying affine groups. In this paper we utilize the action of twisted affine groups on finite fields and obtain new lower bounds on the dimensions of 2-$(q^2,k;m)$ SEEDs, some of which outperform the known ones.     

Sequence‐Defined Introduction of Hydrophobic Motifs and Effects in Lectin Binding of Precision Glycomacromolecules

This study investigates the influence of an increasingly hydrophobic backbone of multivalent glycomimetics based on sequence‐defined oligo(amidoamines) on their resulting affinity toward bacterial lectins. Glycomacromolecules are obtained by stepwise assembly of tailor‐made building blocks on solid support, using both hydrophobic aliphatic and aromatic building blocks to enable a gradual change in hydrophobicity of the backbone. Their binding behavior toward model lectin Concanavalin A (ConA) is evaluated using isothermal titration calorimetry (ITC) and surface plasmon resonance (SPR) showing higher affinities for glycomacromolecules with higher content of hydrophobic and aromatic moieties in the backbone. Finally, glycomacromolecules are tested in a bacterial adhesion inhibition study against Escherichia coli where more hydrophobic backbones yield higher inhibitory potentials most likely due to additional secondary interactions with hydrophobic regions of the protein receptor as well as a change in conformation exposing carbohydrate ligands for increased binding. Overall, the results highlight the influence and thereby importance of the polymer backbone itself on the resulting properties of polymeric biomimetics.     

Synergistic Effects of Pseudocolor Imaging,Differentiation, and Square and Logarithmic Conversion on Accuracy of Quantification of Chemical Characteristics Using Test Strips and Similar Products

Test strips and similar products are highly feasible tools for the rapid and approximate determination of chemical characteristics. Although the application of both the quantitative observation of coloration and regression modeling has recently enabled these products to become quantitative tools, their precision and accuracy may be further improved. In this study, the pseudocolor imaging of the coloration image, derivative spectrophotometry-like differentiation of the coloration values, and logarithmic conversion of the raw and derivative values were compared in terms of the precision and accuracy of the quantitative determination of corrosiveness, glucose, nitrate, and pH using the products. The best regression models for the determination were provided by the combination of pseudocolor imaging and differentiation (nitrate and pH); pseudocolor imaging, differentiation, and square-conversion (corrosiveness); or all of the techniques (glucose). When compared to the use of the original 10 raw coloration variables of red-green-blue, cyan-magenta-yellow-key black, and L*a*b* color models only, the above combinations improved the normalized mean absolute error from 14.8% to 3.09% (corrosiveness), 6.33% to 3.15% (glucose), 7.46% to 4.56% (nitrate), and 3.22% to 0.94% (pH). These achievements were largely attributed to the combination of multiple variables that have non-linear and nonmonotonic relationships with the chemical characteristics.     

The effect of probe-Ohmic environment coupling type and probe information flow on quantum probing of the cutoff frequency

This work aims to compare results of dissipating and pure dephasing single-qubit probes in characterizing the cutoff frequency of a harmonic reservoir Ohmic spectral density. In particular, we proved that a dissipating single-qubit improves the estimation precision of the cutoff frequency estimator. The information backflow and outflow of the dissipating and the dephasing single-qubit are compared. The relation between the quantum Fisher information and the information outflow and backflow of the probe is obtained. The results show that difference between the values of information outflow and backflow of a dissipating single-qubit is larger than a dephasing single-qubit. So, a single-qubit probe extracts more information from an Ohmic reservoir by increasing the difference between the values of information outflow and backflow of the probe.