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The Widespread Non-halogenated Polymer-bonded Contributor for High-performance Organic Photovoltaic Cells.
The optimal oil displacement formulations are as follows main slug 5000 mg/L × 0.125 PV, secondary slug 3000 mg/L × 0.208 PV, alternating two rounds.The ab initio cyclic periodic wave function (CPWF) approach is developed for the treatment of infinitely periodic systems. Using the full infinite Hamiltonian operator, as well as symmetrically identical basis set wave functions that preserve the translational symmetry of the electron density of the system, this approach can be applied at the Hartree-Fock level, or correlation can be directly included by the usual modes. In this approach, all many-body interactions are included, and no edge effects occur. Initial test calculations of the CPWF method at the ab initio Hartree-Fock level are performed on the chains of hydrogen fluoride molecules.For reproducing the behavior of water molecules adsorbed on gold surfaces in terms of density of both bulk and interfacial water and in terms of structuring of water on top of gold atoms, the implementation of a multibody potential is necessary, thus the Stillinger-Weber potential was tested. The goal is using a single nonbonded potential for coarse-grained models, without the usage of explicit charges. In order to modify the angular part of the Stillinger-Weber potential from a single cosine to a piecewise function accounting for multiple equilibrium angles, employed for Au-Au-Au and Au-Au-water triplets, it is necessary to create a version of the simulation package LAMMPS that supports the assignment of multiple favored angles. This novel approach is able to reproduce the data obtained using quantum mechanical calculations and density profiles of both bulk and adsorbed water molecules obtained using classical polarizable force fields.Polyvinyl acetate (PVAc) and curcumin (Cu) were utilized for preparing new protecting PVAc-Cu x (x = 1, 5 and 10) coatings exerting antimicrobial photodynamic activity upon white light irradiation. Toward Salmonella typhimurium or Staphylococcus aureus, the killing efficiency represented the dependence on the Cu concentration and irradiation intensity. Toward S. aureus, the killing efficiency of PVAc-Cu 10 coating reached 93% at an energy density of 72 J/cm2. With the change in storage time of coating, the results implied significant stability of photosterilization efficiency within 60 days. Compared with the control experiment, lower total viable counts (TVCs) and total volatile basic nitrogen (TVB-N) values in fresh meat packaged by PVDC films with PVAc-Cu 10 coatings during storage at 4 °C demonstrated the practicability of the PVAc-Cu x coatings in decontaminating fresh pork. PVAc packed curcumin tightly within polymer chains, thus preventing tautomerization or, more probably, conformational transition, which is advantageous for improving photostability and emission lifetime.To study the salt effect of recovering N-methyl-2-pyrrolidone (NMP) from the waste liquid produced in the polyphenylene sulfide (PPS) synthesis process, this study presents vapor-liquid equilibrium (VLE) measurement and correlation for water + NMP, water + NMP + lithium chloride, and water + NMP + sodium chloride at p = 101.3 kPa. The salt effect is discussed and the salts follow the order of lithium chloride > sodium chloride. The NRTL model was used for the correlation with binary parameters of water + NMP, water + NMP + lithium chloride, and water + NMP + sodium chloride. The correlation showed good agreement with experimental data; root-mean-square deviations are less than 0.48 K for the equilibrium temperature and 0.005 for the vapor-phase mole fraction of water.Myrtus communis ("myrtle") and Asphaltum punjabianum ("shilajeet") are a medicinal plant and a long-term-humified dead plant material, respectively. We studied their antibacterial and anticandidal activities against Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, and Candida albicans. The activities of the aqueous extracts of the studied materials were measured using agar-well diffusion methods. Furthermore, proteomic analysis of treated microbial cells was conducted to identify affected proteins. The results showed both antibacterial and anticandidal activities for the myrtle extract (ME), while the shilajeet extract (SE) showed antibacterial activity only. The highest antimicrobial activity was observed against E. coli among the microbes tested; therefore, it was taken as the model for the proteomic analysis to identify the antimicrobial mechanism of ME and SE using two-dimensional electrophoresis. Upregulation of expression of 42 proteins and downregulation of expression of 6 proteins were observed in E. coli treated with ME, whereas 12 upregulated and 104 downregulated proteins were detected in E. coli treated with SE, in comparison with the control. About 85% of identified expressed proteins were from the cytoplasm and 15% from microbial cell walls, indicating the penetration of extracts inside cells. A higher percentage of expressed proteins was recorded for enzymatic activity. Our findings suggest that the major targets of the antibacterial action were proteins involved in the outer membrane, oxidative stress, and metabolism. check details Our data might reveal new targets for antimicrobial agents.Many advantageous properties of cross-linked polymers relate to their network structures. In this study, network structures of three DGEBA-based epoxy systems at various DGEBA monomer sizes were investigated via equilibrium swelling and glass transition behavior. Each system was cured with a tetra-functional diamine, 4,4'-methylenebiscyclohexanamine, in the presence of a nonreactive solvent, i.e., THF at a solvent-to-monomer volume fraction ranging from 0 to 92%. Experimental results revealed that the conventional swelling model (the Dušek model) accurately calculates Mc values of the cured gels prepared in moderate dilute environments, up to approximately 60% by volume of THF. For gels cured in extreme dilute environments, i.e., in the presence of above 60% by volume of THF, the calculated Mc values using the Dušek model were found to increase sharply as a function of the initial solvent content. The observed dramatic increase in Mc values was not supported by the dry Tg of the identical polymer systems. In fact, the dry Tg values of the polymer systems were found to be relatively insensitive to the initial solvent content.
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