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Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 552
Author(s):  
Liandra G. Teixeira ◽  
Stephany Rezende ◽  
Ângela Fernandes ◽  
Isabel P. Fernandes ◽  
Lillian Barros ◽  
...  

The use of natural colorants is needed to overcome consumer concerns regarding synthetic food colorants′ safety. However, natural pigments have, in general, poor stability against environmental stresses such as temperature, ionic strength, moisture, light, and pH, among others. In this work, water-in-oil-in-water (W1/O/W2) emulsions were used as protective carriers to improve color stability of a hydrophilic Sambucus nigra L. extract against pH changes. The chemical system comprised water and corn oil as the aqueous and oil phases, respectively, and polyglycerol polyricinoleate (PGPR), Tween 80, and gum Arabic as stabilizers. The primary emulsion was prepared using a W1/O ratio of 40/60 (v/v). For the secondary emulsion, W1/O/W2, different (W1/O)/W2 ratios were tested with the 50/50 (v/v) formulation presenting the best stability, being selected as the coloring system to test in food matrices of different pH: natural yogurt (pH 4.65), rice drink (pH 6.01), cow milk (pH 6.47), and soy drink (pH 7.92). Compared to the direct use of the extract, the double emulsion solution gave rise to higher color stability with pH change and storage time, as corroborated by visual and statistical analysis.


2021 ◽  
Author(s):  
Austin Mroz ◽  
Joshua Davis ◽  
Christopher Hendon

Chemical shape and size play a critical role in chemistry. The van der Waal (vdW) radii, a familiar manifold used to quantify size by assuming overlapping spheres, provides rapid estimates of size in atoms, molecules, and materials. However, the vdW method may be too rigid to describe highly polarized systems and chemical systems that stray from spherical atomistic environments. To deal with these exotic chemistries, numerous alternate methods based on electron density have been presented. While each boasts inherent generality, all define the size of a chemical system, in one way or another, by its electron density. Herein, we revisit the timeless problem of assessing sizes of atoms and molecules, instead through examination of the electric field produced by them. While conceptually different than nuclei-centered methods like that of van der Waal, the field assesses chemically affected volumes. This approac


2021 ◽  
Author(s):  
Ali Al-Taq ◽  
Mohammad Alqam ◽  
Abdullah Alrustum

Abstract Sand production is a common problem in wells completed in unconsolidated or poorly consolidated formation. Several problems are associated with sand production including erosion damage, and plugging of the well and surface production equipment, such as lines, valves, etc. Various mechanical solutions have been implemented to control or eliminate sand production. Screenless completion is an alternative method to conventional sand control techniques. Screenless completion methodology involves sand consolidation, a field-proven technique which offers viable and effective strategies to prevent sand production throughout the life of the well. Sand production can lead to production loss through sand filling up, production tubing restrictions, etc. Consequently, the need for an effective sand control is mandatory. Sand consolidation is a promising technique due to significant advancement in chemicals development for sand control. The challenge with the chemical consolidation systems is their ability to provide the highest possible compressive strength with minimum permeability reduction. A newly developed sand consolidation system was assessed in this study for its effectiveness in both sand consolidation and retained permeability. Two techniques were investigated in preparation/conditioning of sand samples. Following the conditioning state, the sand samples were treated with equivalent amounts of the two components of the newly developed sand consolidation system (Resin-A and Resin-B). A consolidation chamber was used to cure sand under simulated downhole conditions of a temperature (300°F) and a stress of 3,000 psi. The consolidated sand sample prepared using 3 wt% KCl brine preflush was associated with a reduction in plug permeability of more than 99% with a compressive strength of 1,100 psi. In the second method, which employed a diesel preflush in the sand sample preparation step, an average permeability of 63 mD and unconfined compressive strength nearly 900 psi were obtained. The effect of temperature and flow rate on return permeability were investigate. The paper presents in detail the lab work conducted to evaluate/optimize a newly developed chemical system for sand consolidation in HT/HP gas wells.


2021 ◽  
Vol 17 (12) ◽  
pp. e1009623
Author(s):  
Ankit Gupta ◽  
Christoph Schwab ◽  
Mustafa Khammash

Stochastic models of biomolecular reaction networks are commonly employed in systems and synthetic biology to study the effects of stochastic fluctuations emanating from reactions involving species with low copy-numbers. For such models, the Kolmogorov’s forward equation is called the chemical master equation (CME), and it is a fundamental system of linear ordinary differential equations (ODEs) that describes the evolution of the probability distribution of the random state-vector representing the copy-numbers of all the reacting species. The size of this system is given by the number of states that are accessible by the chemical system, and for most examples of interest this number is either very large or infinite. Moreover, approximations that reduce the size of the system by retaining only a finite number of important chemical states (e.g. those with non-negligible probability) result in high-dimensional ODE systems, even when the number of reacting species is small. Consequently, accurate numerical solution of the CME is very challenging, despite the linear nature of the underlying ODEs. One often resorts to estimating the solutions via computationally intensive stochastic simulations. The goal of the present paper is to develop a novel deep-learning approach for computing solution statistics of high-dimensional CMEs by reformulating the stochastic dynamics using Kolmogorov’s backward equation. The proposed method leverages superior approximation properties of Deep Neural Networks (DNNs) to reliably estimate expectations under the CME solution for several user-defined functions of the state-vector. This method is algorithmically based on reinforcement learning and it only requires a moderate number of stochastic simulations (in comparison to typical simulation-based approaches) to train the “policy function”. This allows not just the numerical approximation of various expectations for the CME solution but also of its sensitivities with respect to all the reaction network parameters (e.g. rate constants). We provide four examples to illustrate our methodology and provide several directions for future research.


2021 ◽  
Vol 2145 (1) ◽  
pp. 012025
Author(s):  
Kritsana Khaothong ◽  
Vikanda Chanchang ◽  
Jarin Kanchanawarin ◽  
Malee Sutthiopad ◽  
Chaiya Luengviriya

Abstract Spiral waves have been observed in a thin layer of excitable media. Especially, electrical spiral waves in cardiac tissues connect to cardiac tachycardia and life-threatening fibrillations. The Belousov-Zhabotinsky (BZ) reaction is the most widely used system to study the dynamics of spiral waves in experiments. When the light sensitive Ru(bpy)3 2+ is used as the catalyst, the BZ reaction becomes photosensitive and the excitability of the reaction can be controlled by varying the illumination intensity. However, the typical photosensitive BZ reaction produces many CO2 bubbles so the spiral waves are always studied in thin layer media with opened top surfaces to release the bubbles. In this work, we develop new chemical recipes of the photosensitive BZ reaction which produces less bubbles. To observe the production of bubbles, we investigate the dynamics of spiral waves in a closed thin layer system. The results show that both the speed of spiral waves and the number of bubbles increase with the concentration of sulfuric acid (H2SO4) and sodium bromate (NaBrO3). For high initial concentrations of both reactants, the size of bubbles increases with time until the wave structures are destroyed. We expect that the chemical recipes reported here can be used to study complicated dynamics of three-dimensional spiral waves in thick BZ media where the bubbles cannot escape.


2021 ◽  
Author(s):  
Cyril Caram ◽  
Sophie Szopa ◽  
Anne Cozic ◽  
Slimane Bekki ◽  
Carlos Cuevas ◽  
...  

Abstract. The atmospheric chemistry of halogenated species (Cl, Br, I) participates in the global chemical sink of tropospheric ozone and perturbs the oxidizing capacity of the troposphere, notably influencing the atmospheric lifetime of methane. Global chemistry-climate models are commonly used to assess the global budget of ozone, its sensitivity to emissions of its precursors, and to project its long-term evolution. Here, we report on the implementation of tropospheric halogens chemistry in the chemistry-climate model LMDZ-INCA and its effects on the tropospheric ozone budget. Overall, the results show that the model simulates satisfactorily the impact of halogens on the photooxidizing system in the troposphere, in particular in the marine boundary layer. To elucidate the mechanisms and quantify the effects, standard metrics representative of the behavior of the tropospheric chemical system (Ox, HOx, NOx, CH4, and NMVOCs) are computed with and without halogen chemistry. Tropospheric halogens in the LMDZ-INCA model lead to a decrease of 22 % in the ozone burden, 8 % in OH, and 33 % in NOx. Additional sensitivity simulations show that the inclusion of halogens chemistry makes ozone more sensitive to perturbations in CH4, NOx, and NMVOCs. Consistent with other global model studies, the sensitivity of the tropospheric ozone burden to changes from pre-industrial to present-day emissions is found to be ~20 % lower when tropospheric halogens are taken into account.


2021 ◽  
Vol 11 ◽  
pp. 45-54
Author(s):  
Long Hoang ◽  
Minh Quy Nguyen ◽  
Truong Giang Pham ◽  
Vu Anh Phan ◽  
Thi Thu Huong Le ◽  
...  

The Vietnam Petroleum Institute (VPI) is implementing a multi-task national level project entitled “Research, evaluate, select and develop a pilot programme for industrial application of solutions to improve oil recovery coefficient for clastic oil bearing reservoirs of oil fields in the Cuu Long basin, on the continental shelf of Vietnam”. Specifically, detailed evaluation studies have been carried out from geological characteristics, reservoir engineering, production to EOR mechanism to develop technical criteria for the process of manufacturing and evaluating the efficiency of the chemical system to optimise the laboratory scale, propose the production and injection scenarios to optimize the development plan as well as evaluate the efficiency of increasing oil recovery coefficient on the reservoir simulation model; conduct production at pilot scale and implement industrial application testing on the field scale for clastic oil bearing reservoir, Cuu Long basin. The article presents the results of research, evaluation, selection and successful manufacture of a VPI SP chemical system based on the combined mechanism of anionic - non-ionic surfactants and polymers to ensure satisfying the harsh technical requirements of oil fields in Vietnam such as resistance to high temperature, high pressure, high mineralisation, very low surface tension, optimal micro-emulsion, low adsorption onto reservoir rocks, reducing residual oil saturation in the reservoir. Results of the evaluation of increased efficiency of oil recovery on actual samples of Miocene reservoir showed an increase of over 21%. The VPI SP chemical system has been included in the plan of industrial-scale testing by Vietsovpetro in Bach Ho and other producing fields in the clastic sections of the Cuu Long basin.


2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Hong Yang ◽  
Muhammad Naeem

We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in the study of chemical structures is growing exponentially. Our aim in this article is to compare and compute some well-known topological indices based on degree and sum of degrees, namely, general Randić indices, Zagreb indices, atom bond connectivity index, geometric arithmetic index, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index of the M-carbon M r , s , t . Moreover, we have also computed closed formulas for these indices.


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