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TTF derivative of 2,5-aromatic disubstituted pyrroles, experimental and theoretical study 2,5-芳二取代吡咯的TTF衍生物,实验与理论研究
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.73
L. Fomina, Christopher C. Leon, M. Bizarro, A. Baeza, V. Gómez-Vidales, L. E. Sansores, R. Salcedo
{"title":"TTF derivative of 2,5-aromatic disubstituted pyrroles, experimental and theoretical study","authors":"L. Fomina, Christopher C. Leon, M. Bizarro, A. Baeza, V. Gómez-Vidales, L. E. Sansores, R. Salcedo","doi":"10.1557/OPL.2016.73","DOIUrl":"https://doi.org/10.1557/OPL.2016.73","url":null,"abstract":"In the last decades the interest in organic conductors has growth, so they have become the object of study of many research groups that are interested in developing new materials with important conducting properties. The charge transfer complexes (CTC) represent an important kind of organic conductors, because they exhibit high conductivity values, as well as versatility for their design. In this work, the charge transfer complex (CTC) formed by substituted pyrrole and tetrathiofulvalene (TTF) was obtained by means electrochemical synthesis, the resultant colored mix was characterized by Mass spectrometry, NMR and EPR studies, its intrinsic electronic behavior was measured by a four point probe method, besides theoretical calculations were carried out on the possible structures of the resultant molecular adduct. All the results show that there is a net transfer of an electron between both organic moieties in a solution giving place to a semiconductor species.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81766283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Geometry Optimization as Molecular Modeling on Activating Carbon with Polypirrole 聚吡咯活性炭的几何优化分子模拟
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.72
Y. Aguilar, J. Sánchez
{"title":"Geometry Optimization as Molecular Modeling on Activating Carbon with Polypirrole","authors":"Y. Aguilar, J. Sánchez","doi":"10.1557/OPL.2016.72","DOIUrl":"https://doi.org/10.1557/OPL.2016.72","url":null,"abstract":"Activation of carbon using polypyrrole as activating agent is searched through Molecular Modeling. The Geometry Optimizations carried out helped to observe carbon effect when is attacked by a polymer in order to give an estimation of the pore size diameter of carbon. In this first approximation pore size diameters is about 30 % with respect to BET (Brunauer, P. Emmett y E. Teller) isotherms experimental data.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"73 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89430162","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biopolymers as Novel Tool for Self-Sealing and Self-Healing of Mortar 生物聚合物作为砂浆自密封自修复的新工具
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.3
A. Mignon, P. Dubruel, S. Vlierberghe, N. Belie
{"title":"Biopolymers as Novel Tool for Self-Sealing and Self-Healing of Mortar","authors":"A. Mignon, P. Dubruel, S. Vlierberghe, N. Belie","doi":"10.1557/OPL.2016.3","DOIUrl":"https://doi.org/10.1557/OPL.2016.3","url":null,"abstract":"","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"50 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89937157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and characterization of functionalized nano magnetite with phthalocyanines for use in photodynamic therapy 光动力治疗用酞菁功能化纳米磁铁矿的合成与表征
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.43
M. A. Balcázar-Pérez, G. Ramírez-García, S. Gutiérrez, R. Galindo
{"title":"Synthesis and characterization of functionalized nano magnetite with phthalocyanines for use in photodynamic therapy","authors":"M. A. Balcázar-Pérez, G. Ramírez-García, S. Gutiérrez, R. Galindo","doi":"10.1557/OPL.2016.43","DOIUrl":"https://doi.org/10.1557/OPL.2016.43","url":null,"abstract":"Magnetic nanoparticles (MNPs) are a class of materials that can be manipulated under the influence of an external magnetic field. Thanks to the ability of the MNPs to be guided by an external magnetic field that is like \"action at a distance\", combined with their low cytotoxicity and the intrinsic penetrability of magnetic fields into human tissue, opens up many applications involving the transport and/or immobilization of biological entities [1, 2]. This work is focused on the synthesis of magnetite nanoparticles by varied methods, their functionalization with nickel tetrasulfonated phthalocyanine, and the corresponding physicochemical characterization and colloidal stability studies in biologically compatible media. The in vitro production of singlet oxygen by these nanoparticles through photochemical stimulation in ultraviolet and visible region was evaluated, resulting in 4.5 and 4 µM respectly to magnetite synthetized in the group. The increase reactive oxygen species concentration in the cellular environment can result in modification and damage of cellular components, and potentially, cell death and necrosis. Therefore, these materials offer the promise of revolutionary tools for photodynamic therapy and hyperthermia, which are attractive strategies for cancer therapy without systemic toxicity.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"60 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85758468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dislocation study of ARMCO iron processed by ECAP ECAP处理ARMCO铁的位错研究
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.81
J. A. Muñoz, O. Higuera, J. Cabrera
{"title":"Dislocation study of ARMCO iron processed by ECAP","authors":"J. A. Muñoz, O. Higuera, J. Cabrera","doi":"10.1557/OPL.2016.81","DOIUrl":"https://doi.org/10.1557/OPL.2016.81","url":null,"abstract":"The aim of this work was to study the deformation behavior of an Armco iron after severe plastic deformation by equal channel angular pressing (ECAP). Particular attention was paid to predict the dislocation density by different approaches like the model proposed by Bergstrom. Experimental measures of dislocation density by different techniques are used in the discussion. Cylindrical samples of ARMCO iron (8mm of diameter, 60mm of length) were subjected to ECAP deformation using a die with an intersecting channel of Φ=90° and outer arc of curvature of ψ= 37° die. Samples were deformed for up to 16 ECAP passes following route Bc. The mechanical properties of the material were measured after each pass by tensile tests. The original grain size of the annealed iron (70 μm) was drastically reduced after ECAP reaching grain sizes close to 300nm after 16 passes.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86865055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study of Corrosion Inhibition Behavior of Vappro 844 Via Colloid Formation vappro844的胶体缓蚀行为研究
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.96
N. Cheng, J. Cheng, B. Valdez, M. Schorr, J. Bastidas
{"title":"Study of Corrosion Inhibition Behavior of Vappro 844 Via Colloid Formation","authors":"N. Cheng, J. Cheng, B. Valdez, M. Schorr, J. Bastidas","doi":"10.1557/OPL.2016.96","DOIUrl":"https://doi.org/10.1557/OPL.2016.96","url":null,"abstract":"","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85946700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Preparation and Phase Relations in the CuSbSe2 – CuInSe2 System CuSbSe2 - CuInSe2体系的制备及相关系
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.59
B. Korzun, V. Sobol', M. Rusu, Ruben M. Savizky, A. A. Fadzeyeva, I. I. Maroz, A. N. Gavrilenko, V. Matukhin, M. Lux‐Steiner
{"title":"Preparation and Phase Relations in the CuSbSe2 – CuInSe2 System","authors":"B. Korzun, V. Sobol', M. Rusu, Ruben M. Savizky, A. A. Fadzeyeva, I. I. Maroz, A. N. Gavrilenko, V. Matukhin, M. Lux‐Steiner","doi":"10.1557/OPL.2016.59","DOIUrl":"https://doi.org/10.1557/OPL.2016.59","url":null,"abstract":"The CuInSe2 and CuSbSe2 ternary compounds and alloys of the (CuSbSe2)1-x⋅(CuInSe2)x system with the mole fraction of CuInSe2 (x) equal to 0.05, 0.15, 0.25, 0.375, 0.50, 0.625, 0.75, 0.85, and 0.95 were prepared and the phase relations in this system were investigated by X-ray powder diffraction, optical microscopy, and scanning electron microscopy. It was shown that the alloys of the CuSbSe2-CuInSe2 system are biphasic at room temperature in the whole range of compositions, and the limits of solubility for CuSbSe2 in CuInSe2 and for CuInSe2 in CuSbSe2 do not exceed 0.001 mole fraction.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78223068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Conformational and Morphological Study of Chitosan Nanohydrogels by MD Simulation and SEM 壳聚糖纳米水凝胶构象和形态的MD模拟和SEM研究
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.45
María Guadalupe Pineda-Pimentel, S. R. Vasquez‐Garcia, N. Flores-Ramírez, Juan Carlos Farías-Sánchez
{"title":"Conformational and Morphological Study of Chitosan Nanohydrogels by MD Simulation and SEM","authors":"María Guadalupe Pineda-Pimentel, S. R. Vasquez‐Garcia, N. Flores-Ramírez, Juan Carlos Farías-Sánchez","doi":"10.1557/OPL.2016.45","DOIUrl":"https://doi.org/10.1557/OPL.2016.45","url":null,"abstract":"Chitosan is biocompatible polymer has a great commercial interest because it can be processed in a sort of devices varying in shape and size, such as membranes, gels and nanoparticles. Mostly, the cell’s attachment and proliferation are very positive on nanostructurated materials with a three-dimensional formation. An irreversible network can be produced by covalently binding the polymer to the cross-linker molecules. Chitosan nanoparticles were prepared using glutaraldehyde as cross-linker. This crosss-liker mostly reacts with chitosan amino groups. In order to control and understand the physical characteristics of chitosan nanoparticle, in this work is showed the molecular behavior of chitosan/glutaraldehyde from the viewpoint of molecular interactions base in a series of molecular dynamics (MD) computer simulation. The results indicated the conformations of both molecules, which had a significant influence on the molecular association. The chitosan chains were uniformly distributed presenting a high flexibility and preference for the relaxed two-fold helix. This was due to the various associations such as intramolecular chitosan interactions –O-H···O-C-. While the chitosan-glutaraldehyde associations were due to the positive net charge density of hydrogens in the chitosan plus - H 2 N···C=O associations. In solid state chitosan nano and microparticles were analyzed by scanning electron microscopy (SEM). According to the micrographs results, the nanoparticles presented a monomorphism with piles of particles arranged in linear order which was consistent with the conformations determined by simulation.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78590046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Mathematical and physical modeling of three-phase gas-stirred ladles 三相气体搅拌钢包的数学和物理建模
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.14
J. López, M. Ramírez-Argáez, A. Amaro-Villeda, C. A. Gonzalez
{"title":"Mathematical and physical modeling of three-phase gas-stirred ladles","authors":"J. López, M. Ramírez-Argáez, A. Amaro-Villeda, C. A. Gonzalez","doi":"10.1557/OPL.2016.14","DOIUrl":"https://doi.org/10.1557/OPL.2016.14","url":null,"abstract":"A very realistic 1:17 scale physical model of a 140-ton gas-stirred industrial steel ladle was used to evaluate flow patterns measured by Particle Image Velocimetry (PIV), considering a three-phase system (air-water-oil) to simulate the argon-steel-slag system and to quantify the effect of the slag layer on the flow patterns. The flow patterns were evaluated for a single injector located at the center of the ladle bottom with a gas flow rate of 2.85 l/min, with the presence of a slag phase with a thickness of 0.0066 m. The experimental results obtained in this work are in excellent agreement with the trends reported in the literature for these gas-stirred ladles. Additionally, a mathematical model was developed in a 2D gas-stirred ladle considering the three-phase system built in the physical model. The model was based on the Eulerian approach in which the continuity and the Navier Stokes equations are solved for each phase. Therefore, there were three continuity and six Navier-Stokes equations in the system. Additionally, turbulence in the ladle was computed by using the standard k-epsilon turbulent model. The agreement between numerical simulations and experiments was excellent with respect to velocity fields and turbulent structure, which sets the basis for future works on process analysis with the developed mathematical model, since there are only a few three-phase models reported so far in the literature to predict fluid dynamics in gas-stirred steel ladles.","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"83 1","pages":"29-34"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78642745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silica coated, aminosilane functionalization, upconversion emission and cytotoxicity in cancer cell lines of the nanoparticles Y2O3 and Gd2O3 co-doped with Yb3+ and Er3+ Yb3+和Er3+共掺杂纳米粒子Y2O3和Gd2O3的二氧化硅包被、氨基硅烷功能化、上转换发射和癌细胞毒性
MRS Proceedings Pub Date : 2016-01-01 DOI: 10.1557/OPL.2016.44
D. Chavez, K. Juárez-Moreno, G. Hirata
{"title":"Silica coated, aminosilane functionalization, upconversion emission and cytotoxicity in cancer cell lines of the nanoparticles Y2O3 and Gd2O3 co-doped with Yb3+ and Er3+","authors":"D. Chavez, K. Juárez-Moreno, G. Hirata","doi":"10.1557/OPL.2016.44","DOIUrl":"https://doi.org/10.1557/OPL.2016.44","url":null,"abstract":"","PeriodicalId":18884,"journal":{"name":"MRS Proceedings","volume":"87 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73656229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
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