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A higher resolution edge‐based finite volume method for the simulation of the oil–water displacement in heterogeneous and anisotropic porous media using a modified IMPES method 下载免费PDF全文
Rogério Soares da Silva Paulo Roberto Maciel Lyra Ramiro Brito Willmersdorf Darlan Karlo Elisiário de Carvalho 《国际流体数值方法杂志》2016,82(12):953-978
In this article, we present a higher‐order finite volume method with a ‘Modified Implicit Pressure Explicit Saturation’ (MIMPES) formulation to model the 2D incompressible and immiscible two‐phase flow of oil and water in heterogeneous and anisotropic porous media. We used a median‐dual vertex‐centered finite volume method with an edge‐based data structure to discretize both, the elliptic pressure and the hyperbolic saturation equations. In the classical IMPES approach, first, the pressure equation is solved implicitly from an initial saturation distribution; then, the velocity field is computed explicitly from the pressure field, and finally, the saturation equation is solved explicitly. This saturation field is then used to re‐compute the pressure field, and the process follows until the end of the simulation is reached. Because of the explicit solution of the saturation equation, severe time restrictions are imposed on the simulation. In order to circumvent this problem, an edge‐based implementation of the MIMPES method of Hurtado and co‐workers was developed. In the MIMPES approach, the pressure equation is solved, and the velocity field is computed less frequently than the saturation field, using the fact that, usually, the velocity field varies slowly throughout the simulation. The solution of the pressure equation is performed using a modification of Crumpton's two‐step approach, which was designed to handle material discontinuity properly. The saturation equation is solved explicitly using an edge‐based implementation of a modified second‐order monotonic upstream scheme for conservation laws type method. Some examples are presented in order to validate the proposed formulation. Our results match quite well with others found in literature. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
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Simple HPLC‐UV for the quantification of a new leishmanicidal candidate (E)‐1‐4(trifluoromethyl) benzylidene)‐5‐(2‐4‐dichlorozoyl) carbonylhydrazine (LASSBio‐1736) in rat plasma for pharmacokinetics assessment 下载免费PDF全文
Barbra Katyuschya Sanches Moraes Lisiane Bajerski Alcides Parisotto Carlos Eduardo da Rosa Silva Marina Amaral Alves Eliezer de Jesus Barreiro Rodrigo José Freddo Teresa Dalla Costa Lídia Moreira Lima Sandra Elisa Haas 《Biomedical chromatography : BMC》2016,30(7):1029-1035
In this study, a sensitive HPLC‐UV assay was developed and validated for the determination of LASSBio‐1736 in rat plasma with sodium diclofenac as internal standard (IS). Liquid–liquid extraction using acetonitrile was employed to extract LASSBio‐1736 and IS from 100 μL of plasma previously basified with NaOH 0.1 M. Chromatographic separation was carried on Waters Spherisorb®S5 ODS2 C18 column (150 × 4.6 mm, 5 μm) using an isocratic mobile phase composed by water with triethylamine 0.3% (pH 4), methanol and acetonitrile grade (45:15:40, v/v/v) at a flow rate of 1 mL/min. Both LASSBio‐1736 and IS were eluted at 4.2 and 5 min, respectively, with a total run time of 8 min only. The lower limit of quantification was 0.2 μg/mL and linearity between 0.2 and 4 μg/mL was obtained, with an R2 > 0.99. The accuracy of the method was >90.5%. The relative standard deviations intra and interday were <6.19 and <7.83%, respectively. The method showed the sensitivity, linearity, precision, accuracy and selectivity required to quantify LASSBio‐1736 in preclinical pharmacokinetic studies according to the criteria established by the US Food and Drug Administration and European Medicines Agency. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
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Ribeiro Sabrina Dias Meneguin Andria Bagliotti Barud Hernane da Silva Silva Jhonatan Miguel Oliveira Rafael L. Asuno Rosana Maria Nascimento de Tormin Thiago Faria Muoz Rodrigo Alejandro Abarza Filho Guimes Rodrigues Ribeiro Clovis Augusto 《Journal of Thermal Analysis and Calorimetry》2022,147(13):7265-7275
Journal of Thermal Analysis and Calorimetry - Cellophane film production generates cellulosic residues from scraps, edges, and low-quality films. In this work, cellophane was used as a raw material... 相似文献
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Jadriane A. Xavier Thaissa L. Silva Eduardo Caio Torres-Santos Camila Calado de Vasconcelos Anastacio Boane Ricardo Alexandre dos Santos Andre Felippe A. Xavier Marília O.F. Goulart 《Current Opinion in Electrochemistry》2021
This review discusses the state of the art, challenges, and perspectives in recent applications of nitroaromatics and nitroheteroaromatics, which are redox-bio-activated drugs or leads, in Medicinal Chemistry. It deals mainly with the electrochemical approach toward the electron transfer-based molecular mechanisms of drug action, drug design, estimation and measurement of redox potentials, correlation of physicochemical and pharmacological data, and electrochemical studies of the main representatives of nitro-containing prodrugs, along with approaches to combat their toxicity issues, aiming at a better therapeutic profile. Electrochemical investigation plays essential roles, being strategic in the design and discovery of potential medicines. 相似文献
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Thais R. Cruz Eliada A. Silva Douglas P. Oliveira Daniele M. Martins Patrik D.S. Gois Antonio E.H. Machado Pedro Ivo S. Maia Beatriz E. Goi Benedito S. Lima-Neto Valdemiro P. Carvalho-Jr 《应用有机金属化学》2020,34(5):e5602
Arene ruthenium(II) complexes bearing the cyclic amines RuCl2(η6-p-cymene)(pyrrolidine)] ( 1 ), [RuCl2(η6-p-cymene)(piperidine)] ( 2 ), and [RuCl2(η6-p-cymene)(peridroazepine)] ( 3 ) were successfully synthesized. Complexes 1 – 3 were fully characterized by means of Fourier transform infrared, UV–visible, and NMR spectroscopy, elemental analysis, cyclic voltammetry, computational methods, and one of the complexes was further studied by single crystal X-ray crystallography. These compounds were evaluated as catalytic precursors for ring-opening metathesis polymerization (ROMP) of norbornene (NBE) and atom-transfer radical polymerization (ATRP) of methyl methacrylate (MMA). NBE polymerization via ROMP was evaluated using complexes 1 – 3 as precatalysts in the presence of ethyl diazoacetate (EDA) under different [NBE]/[EDA]/[Ru] ratios, temperatures (25 and 50°C), and reaction times (5–60 min). The highest yields of polyNBE were obtained with [NBE]/[EDA]/[Ru] = 5000/28/1 for 60 min at 50°C. MMA polymerization via ATRP was conducted using 1 – 3 as catalysts in the presence of ethyl-α-bromoisobutyrate (EBiB) as initiator. The catalytic tests were evaluated as a function of the reaction time using the initial molar ratio of [MMA]/[EBiB]/[Ru] = 1000/2/1 at 95°C. The increase in molecular weight as function of time indicates that complexes 1–3 were able to mediate the MMA polymerization with an acceptable rate and some level of control. Differences in the rate of polymerization were observed in the order 3 > 2 > 1 for the ROMP and ATRP. 相似文献
270.
Ana Salomé Pires João Batista Dina Murtinho Célia Nogueira Anna Karamysheva M. Luísa Ramos Bruce F. Milne Nuno Tiago Tavares José Gonçalves Ana Cristina Gonçalves Ana Margarida Abrantes Rui Soares Teresa Gonçalves Maria Filomena Botelho M. Elisa Silva Serra 《应用有机金属化学》2020,34(5):e5569
Platinum metal complexes are the most common chemotherapeutics currently used in cancer treatment. However, the frequent adverse effects, as well as acquired resistance by tumor cells, urge the development of effective alternatives. In the recent past, copper complexes with Schiff base ligands have emerged as good alternatives, showing interesting results. Accordingly, and in continuation of previous studies in this area, three new camphoric acid-derived halogenated salen ligands and their corresponding Cu (II) complexes were synthesized and their antitumor activity was evaluated in order to determine the influence of the type and number of halogens present (Br, Cl). The in vitro cytotoxic activity was screened against colorectal WiDr and LS1034 and against breast MCF-7 and HCC1806 cancer cell lines. The results proved the halogenated complexes to be very efficient, the tetrachlorinated Cu (II) complex being the most promising, presenting IC50 of 0.63–1.09 μM for the cell lines studied. The complex also shows selectivity to colorectal cancer cells compared to non-tumor colon cells. It is worth highlighting that the tetrachlorinated Cu (II) complex, our most efficient complex, shows a significantly more powerful antitumor effect than the reference drugs currently used in conventional chemotherapy. The halogenated salen and corresponding complexes were also screened for their antimicrobial activity against four bacterial species-Staphylococcus aureus, Enterococcus faecalis, Escherichia coli and Pseudomonas aeruginosa-and four fungal species-Candida albicans, Candida glabrata, Aspergillus fumigatus and Alternaria alternata. The compounds were found to exhibit moderate to strong antibacterial activity against the bacterial strains studied. NMR studies and theoretical calculations provided some insight into the structure of the ligands and copper complexes. Considering the results presented herein, our work validates the potential use of copper-based chemotherapeutics as alternatives for cancer treatment. 相似文献