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.     

Study of semileptonic decay of ${\bar{B}}_{s}^{0} \rightarrow \phi {l}^{+}{l}^{-}$ in QCD sum rule

In this work we study the semileptonic decay of ${\bar{B}}_{s}^{0}\to \phi {l}^{+}{l}^{-}$ (l=e, μ, τ) with the QCD sum rule method. We calculate the ${\bar{B}}_{s}^{0}\to \phi $ translation form factors relevant to this semileptonic decay, then the branching ratios of ${\bar{B}}_{s}^{0}\to \phi {l}^{+}{l}^{-}$ (l=e, μ, τ) decays are calculated with the form factors obtained here. Our result for the branching ratio of ${\bar{B}}_{s}^{0}\to \phi {\mu }^{+}{\mu }^{-}$ agree very well with the recent experimental data. For the unmeasured decay modes such as ${\bar{B}}_{s}^{0}\to \phi {e}^{+}{e}^{-}$ and ${\bar{B}}_{s}^{0}\to \phi {\tau }^{+}{\tau }^{-}$, we give theoretical predictions.     

p-adic超几何函数与Dwork超曲面上的有理点

p-adic超几何函数是经典的Gauss超几何函数在有限域上的模拟,与许多数论问题都有联系.设Fq是q元有限域,λ∈Fq,n为正整数.本文研究了Dwork超曲面Dλ^n:x1^n+x2^n+…+xn^n=nλx1x2…xn及其推广形式上的Fq-有理点,并在n与q(q-1)互素时给出了由p-adic超几何函数表示的各种Fq-有理点个数的公式,从而修正和改进了Barman与Goodson等人的结论.     

MOLSIM: A modular molecular simulation software

The modular software MOLSIM for all‐atom molecular and coarse‐grained simulations is presented with focus on the underlying concepts used. The software possesses four unique features: (1) it is an integrated software for molecular dynamic, Monte Carlo, and Brownian dynamics simulations; (2) simulated objects are constructed in a hierarchical fashion representing atoms, rigid molecules and colloids, flexible chains, hierarchical polymers, and cross‐linked networks; (3) long‐range interactions involving charges, dipoles and/or anisotropic dipole polarizabilities are handled either with the standard Ewald sum, the smooth particle mesh Ewald sum, or the reaction‐field technique; (4) statistical uncertainties are provided for all calculated observables. In addition, MOLSIM supports various statistical ensembles, and several types of simulation cells and boundary conditions are available. Intermolecular interactions comprise tabulated pairwise potentials for speed and uniformity and many‐body interactions involve anisotropic polarizabilities. Intramolecular interactions include bond, angle, and crosslink potentials. A very large set of analyses of static and dynamic properties is provided. The capability of MOLSIM can be extended by user‐providing routines controlling, for example, start conditions, intermolecular potentials, and analyses. An extensive set of case studies in the field of soft matter is presented covering colloids, polymers, and crosslinked networks. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.     

大族长度为pq的伪随机k元序列

Mauduit与Sárkzy在一系列论文中研究了κ元序列的伪随机性.本文通过对模pq剩余类环Z_(pq)进行分割,进而结合离散对数的方法,构造了一大族长度为pq的伪随机κ元序列,并证明其具有很好的伪随机性.     

三项指数和四次均值的精确计算公式(2)

本文进一步深入研究了三项指数和四次均值的计算问题.运用指数和的相关性质并结合求解同余方程组的方法与技巧,利用两种不同的方法获得了两个精确的均值计算公式,揭示了三项指数和的计算与同余方程组解的个数之间的本质联系,推广了已有的结果.     

图的邻点全和可区别全染色

设f:V(G)∪E(G)→{1,2,…,k}是图G的一个正常k-全染色。令■其中N(x)={y∈V(G)|xy∈E(G)}。对任意的边uv∈E(C),若有Φ(u)≠Φ(v)成立,则称f是图G的一个邻点全和可区别k-全染色。图G的邻点全和可区别全染色中最小的颜色数k叫做G的邻点全和可区别全色数,记为f tndi∑(G)。本文确定了路、圈、星、轮、完全二部图、完全图以及树的邻点全和可区别全色数,同时猜想:简单图G(≠K2)的邻点全和可区别全色数不超过△(G)+2。     

A Happy Get-Together – Probing Electrochemical Interfaces by Non-Linear Vibrational Spectroscopy

Electrochemical interfaces are key structures in energy storage and catalysis. Hence, a molecular understanding of the active sites at these interfaces, their solvation, the structure of adsorbates, and the formation of solid-electrolyte interfaces are crucial for an in-depth mechanistic understanding of their function. Vibrational sum-frequency generation (VSFG) spectroscopy has emerged as an operando spectroscopic technique to monitor complex electrochemical interfaces due to its intrinsic interface sensitivity and chemical specificity. Thus, this review discusses the happy get-together between VSFG spectroscopy and electrochemical interfaces. Methodological approaches for answering core issues associated with the behavior of adsorbates on electrodes, the structure of solvent adlayers, the transient formation of reaction intermediates, and the emergence of solid electrolyte interphase in battery research are assessed to provide a critical inventory of highly promising avenues to bring optical spectroscopy to use in modern material research in energy conversion and storage.