α-Glucosidase, α-amylase inhibition kinetics,in vitro gastro-intestinal digestion,and apoptosis inducing abilities of Ficus microcarpa L. f. and Ficus racemosa L. fruit polysaccharides

Food Science and Biotechnology - A rich source of nutrients, figs have a number of clinically validated benefits. This study aimed to evaluate the in vitro simulated gastrointestinal digestion, and...     

Description of the thermodynamic properties and fluid-phase behavior of aqueous solutions of linear,branched, and cyclic amines

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H₂O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.     

Activity-Directed Synthesis: A Flexible Approach for Lead Generation

Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed.     

A Dual Inhibitor of DYRK1A and GSK3β for β-Cell Proliferation: Aminopyrazine Derivative GNF4877

Loss of β-cell mass and function can lead to insufficient insulin levels and ultimately to hyperglycemia and diabetes mellitus. The mainstream treatment approach involves regulation of insulin levels; however, approaches intended to increase β-cell mass are less developed. Promoting β-cell proliferation with low-molecular-weight inhibitors of dual-specificity tyrosine-regulated kinase 1A (DYRK1A) offers the potential to treat diabetes with oral therapies by restoring β-cell mass, insulin content and glycemic control. GNF4877, a potent dual inhibitor of DYRK1A and glycogen synthase kinase 3β (GSK3β) was previously reported to induce primary human β-cell proliferation in vitro and in vivo. Herein, we describe the lead optimization that lead to the identification of GNF4877 from an aminopyrazine hit identified in a phenotypic high-throughput screening campaign measuring β-cell proliferation.     

Indoor heterogeneous photochemistry of furfural drives emissions of nitrous acid

People spend approximately 80% of their time indoor, making the understanding of the indoor chemistry an important task for safety. The high surface-area-to-volume ratio characteristic of indoor environments leads the semi-volatile organic compounds (sVOCs) to deposit on the surfaces. Using a long path absorption photometer (LOPAP), this work investigates the formation of nitrous acid (HONO) through the photochemistry of adsorbed nitrate anions and its enhancement by the presence of furfural. Using a high-resolution proton-transfer-reaction time-of-flight mass spectrometer (PTR-TOF-MS), this work also investigates the surface emissions of VOCs from irradiated films of furfural and a mix of furfural and nitrate anions. Among the emitted VOCs, 2(5H)-furanone/2-Butenedial was observed at high concentrations, leading to maleic anhydride formation after UV irradiation. Moreover, the addition of potassium nitrate to the film formed NO_x and HONO concentrations up to 10 ppb, which scales to ca. 4 ppb for realistic indoor conditions. This work helps to understand the high levels of HONO and NO_x measured indoors.     

A closed-form solution for the distribution of the sum of Nakagami-m random phase vectors

The distribution of the modulus of the sum of random phase vectors, is of great practical importance in several applications which deal with sums of sinusoidal signals (wireless multipath transmissions, radars, optical communications, etc). In this letter, simple closed-form expressions are presented for the probability density function (PDF), the cumulative distribution function (CDF), the moment generating function (MGF) and the moments of the envelope distribution of the sum of L non-identical random Nakagami-m phase vectors with integer fading parameters. Moreover, the average over this distribution of the Gaussian Q-function and of the squared Q-function, are also presented in closed-form     

Managing Fashion Goods Inventories: Dynamic Recourse for Retailers with Outlet Stores

The proliferation of both online and bricks and mortar outlet stores underscores the observation that secondary markets are readily accessible to retailers of short-life-cycle products. These secondary markets provide recourse channels for retailers to sell excess inventory of out-of-favor items at reduced prices when overstocking occurs in a primary market. We study the problem of determining when a retailer should terminate its primary selling season by selling remaining inventory on a secondary market. The retailer has a single opportunity to procure prior to a primary selling season consisting of multiple periods. Demand in each period is random, but correlated. At the end of each period, any remaining inventory incurs a holding cost. Then, based upon the current level of inventory and the cumulative demand-to-date, the retailer decides either to terminate the primary selling season by selling all or part of the remaining inventory on a secondary market, or to extend the current primary selling season by another period. We develop structural properties of the optimal policy for determining when to terminate the primary selling season, and we develop corresponding implications for procurement.     

基于交会图和多元统计法的神经网络技术在火山岩识别中的应用

针对火山岩储层的特殊性(复杂性、离散性和随机性),应用BP神经网络技术对火山岩测井解释中岩性识别问题进行了研究。该方法的技术关键是样本集和初始权重的建立,以及模型的优选。本文提出了一种基于交会图和多元统计法的学习样本生成方法,即根据取心岩样的地球化学和岩石学研究,用交会图技术建立样本集,采用聚类分析和距离判别法确定初始权重。将研究方法应用在松辽盆地杏山地区火山岩岩性识别问题中,取得了很好的效果,岩性解释符合率高于90%。文中通过四种岩性识别处理模式的对比研究,表明赋权重处理模式为最优处理模型。在神经网络模型预测过程中,需充分利用已有的地质经验和测井曲线信息建立典型可靠的样本文件,同时考虑神经网络方法中各种因素的影响,优选模型和计算参数才能使预测结果符合实际情况。     

Fractal-wavelet image denoising revisited.

The essence of fractal image denoising is to predict the fractal code of a noiseless image from its noisy observation. From the predicted fractal code, one can generate an estimate of the original image. We show how well fractal-wavelet denoising predicts parent wavelet subtress of the noiseless image. The performance of various fractal-wavelet denoising schemes (e.g., fixed partitioning, quadtree partitioning) is compared to that of some standard wavelet thresholding methods. We also examine the use of cycle spinning in fractal-based image denoising for the purpose enhancing the denoised estimates. Our experimental results show that these fractal-based image denoising methods are quite competitive with standard wavelet thresholding methods for image denoising. Finally, we compare the performance of the pixel- and wavelet-based fractal denoising schemes.