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.     

Cyberbullying: Effect of emergency perception on the helping tendencies of bystanders

The effect of the emergency perception of bystanders of cyberbullying victims on helping behaviors is often neglected in research on cyberbullying. In this study, we explored the influence of this cognitive factor on cyber-bystanders’ helping tendencies as well as elucidated possible underlying processes. The results of two studies were reported. In Study 1, 150 undergraduates read a true case of a girl experiencing cyberbullying. The results indicated that when the participants perceived the victim’s situation to be more critical (i.e., higher emergency perception), their helping tendencies were stronger, partly through increased state empathy followed by feelings of responsibility to help. In Study 2, we randomly assigned 300 undergraduates to two groups. The low emergency group read the same cyberbullying case as Study 1, whereas the cyberbullying case read by the high emergency group contained additional emergency information of the victim. The results indicated that the high emergency group expressed stronger helping tendencies than did the low emergency group. This effect was caused by a stronger perception that the victim was in an emergency situation, which not only strengthened the participants’ helping tendencies directly but also indirectly through increasing their state empathy and feelings of responsibility to help.     

基于现代审美下的赣傩艺术元素分析与设计应用

目的 赣傩艺术元素内容丰富并保存完整,是研究我国古代赣傩地区文化与艺术的珍贵史料.研究赣傩艺术元素的提取及衍生图案的设计方法,在设计应用中表达赣傩傩面具、选取傩舞形和构筑傩庙魂,能给当代赣傩艺术元素的产品设计以指引.方法 通过直接引用、形意结合和局部强化的设计方法,增厚其丰富内涵、设计个性和主题意蕴.通过现代化审美中"绿色化、感性化、地域化"的要求,遵循"以退为进,化繁为简""多元并存,个性体现"的原则,强化赣傩艺术元素的独特风格.结论 用现代的手法,将特色的赣傩艺术元素植入到理性的产品设计中去,使赣傩艺术元素与现代设计思想有机结合.在继承传统文化与现代流行中找到契合点,深入挖掘赣傩艺术元素蕴含的文化精神、文化胸怀和文化自信,使中华传统文化在现代审美下进行创新再现.     

农药沉积利用率喷雾指示剂诱惑红的酶标仪测定方法

诱惑红是一种水溶性染料,近年来被用作农药沉积利用率测定的指示剂。诱惑红的检测方法为高效液相色谱法和分光光度法。高效液相色谱法需要专门的分析仪器,且价格昂贵,可见分光光度计法操作繁琐,试剂用量大,耗时长,均不适宜田间快速高效测定。笔者发展了诱惑红的酶标仪测定方法,简单高效,可批量检测多个样品,且准确度和精密度高,线性关系良好,514 nm检测波长下不受其他农药影响,并应用于玉米无人飞机喷雾场景下农药雾滴在玉米冠层的沉积利用率测定。     

磁性硅铁载铜吸附Hg0动力学机制及密度泛函研究

采用粉末冶金法将纳米单质铜(Cu⁰)、硅铁(FeSi)、四氧化三铁硅涂层(Fe₃O₄@SiO₂)混合煅烧并制备出新型磁性硅铁载铜吸附剂MagFeSi-Cu⁰。实验研究不同烟气温度下MagFeSi-Cu⁰的汞吸附能力基础上,结合颗粒内扩散模型、准二阶动力学模型、Elovich模型及Bangham模型分析了MagFeSi-Cu⁰吸附Hg⁰过程的主要控制步骤。在此基础上,依据密度泛函理论(DFT)研究了不同反应温度下FeSi表面Cu⁰原子与Hg⁰原子的汞齐作用机制。研究结果表明,Bangham模型的拟合值与MagFeSi-Cu⁰汞吸附实验值拟合度最高,MagFeSi-Cu⁰表面痕量Hg⁰吸附由汞的外扩散和表面铜汞齐吸附共同控制;通过密度泛函计算,发现Cu⁰颗粒表面Cu-Hg齐吸附能为-0.534 eV,当烟气温度从80℃上升至200℃时,Hg⁰原子与单质Cu原子的吸附自由能从-22.47 kJ/mol下降至-13.96 kJ/mol,这些结果为深入了解Hg⁰在Cu(111)表面的反应机理提供了理论基础。     

Dithizone,carminic acid and pyrocatechol violet dyes sensitized metal (Ho,Ba& Cd) doped TiO2/CdS nanocomposite as a photoanode in hybrid heterojunction solar cell

Considering the great importance of nanocomposite based photo-active nanomaterials for a variety of electronics, photonics and photovoltaics application, it is always worth considering to synthesize new hetreostructure. This paper describes the sol-gel and hydrothermal synthesis of metal (holmium, barium, and cadmium) doped TiO₂/CdS nanocomposites for photoanode applications. Various characterization techniques, including XRD, FTIR, UV–VIS, EDX, and SEM were used to examine the synthesized heterostructures. The band gap of pure TiO₂ NPs is 3.10 eV, which was effectively decreased to 2.16 eV by doping and coupling with CdS. The nanomaterial's crystallinity, crystallite size, morphology and elemental composition were determined by XRD, SEM and EDX, respectively. As sensitizers, the organic dyes dithizone, carminic acid, and pyrocatechol violet were used. FTIR was used to analyze the effective dye grafting on the surface of nanomaterials. In the presence of hole conducting P3HT polymer as solid state electrolyte, the sensitized materials were evaluated for solid state dye-sensitized solar cells. Compared to the reference device, Cd–TiO₂/CdS photosensitized using Pyrocatechol violet dye demonstrated the highest efficiency of 2.68% (0.82%). Other parameters of this device, including open circuit voltage (Voc) and short circuit current (Jsc), were determined to be 16.97 mA cm² and 0.41V, respectively.     

Weighted regularized extreme learning machine to model the discharge coefficient of side slots

In the current research, a modern learning machine algorithm named “Weighted Regularized Extreme Learning Machine (WRELM)" is implemented for the first time for the simulation of the coefficient of discharge of side slots. For this purpose, an effective variable on the coefficient of discharge of side slots is firstly introduced, then five distinctive WRELM models are produced by it for the estimation of the coefficient. In the next stage, a database is created for verification of WRELM results. it should be mentioned that 70% of the data are utilized for training the WRELM models, while the rest (i.e. 30%) for testing them. After that, the optimal number of hidden layer neurons as well as the best activation function of the WRELM algorithm are chosen. In addition, the best regularization parameter and also the weight function of the WRELM are achieved. By conducting a sensitivity analysis, the most effective variable for the simulation of the coefficient of discharge along with the WRELM superior model is introduced. The WRELM superior model estimates values of the coefficient of discharge with the maximum exactness and the highest correlation. For instance, the estimations of the correlation coefficient and scatter index for this model are computed to be 0.930 and 0.051, respectively. The sensitivity analysis shows that the ratio of the side slot crest height to its length and the Froude number should be considered as the most important input variables. A comparison between the WRELM with the ELM displays that the former works much better. Furthermore, an uncertainty analysis is executed for both models. Eventually, an equation is suggested for the estimation of the coefficient of discharge and a partial derivative sensitivity analysis is performed on it.     

Role of Polyinosinic:Polycytidylic Acid-Induced Maternal Immune Activation and Subsequent Immune Challenge in the Behaviour and Microglial Cell Trajectory in Adult Offspring: A Study of the Neurodevelopmental Model of Schizophrenia

Multiple lines of evidence support the pathogenic role of maternal immune activation (MIA) in the occurrence of the schizophrenia-like disturbances in offspring. While in the brain the homeostatic role of neuron-microglia protein systems is well documented, the participation of the CX3CL1-CX3CR1 and CD200-CD200R dyads in the adverse impact of MIA often goes under-recognized. Therefore, in the present study, we examined the effect of MIA induced by polyinosinic:polycytidylic acid (Poly I:C) on the CX3CL1-CX3CR1 and CD200-CD200R axes, microglial trajectory (MhcII, Cd40, iNos, Il-1β, Tnf-α, Il-6, Arg1, Igf-1, Tgf-β and Il-4), and schizophrenia-like behaviour in adult male offspring of Sprague-Dawley rats. Additionally, according to the “two-hit” hypothesis of schizophrenia, we evaluated the influence of acute challenge with Poly I:C in adult prenatally MIA-exposed animals on the above parameters. In the present study, MIA evoked by Poly I:C injection in the late period of gestation led to the appearance of schizophrenia-like disturbances in adult offspring. Our results revealed the deficits manifested as a diminished number of aggressive interactions, presence of depressive-like episodes, and increase of exploratory activity, as well as a dichotomy in the sensorimotor gating in the prepulse inhibition (PPI) test expressed as two behavioural phenotypes (MIA_PPI-low and MIA_PPI-high). Furthermore, in the offspring rats subjected to a prenatal challenge (i.e., MIA) we noticed the lack of modulation of behavioural changes after the additional acute immune stimulus (Poly I:C) in adulthood. The important finding reported in this article is that MIA affects the expression and levels of the neuron-microglia proteins in the frontal cortex and hippocampus of adult offspring. We found that the changes in the CX3CL1-CX3CR1 axis could affect microglial trajectory, including decreased hippocampal mRNA level of MhcII and elevated cortical expression of Igf-1 in the MIA_PPI-high animals and/or could cause the up-regulation of an inflammatory response (Il-6, Tnf-α, iNos) after the “second hit” in both examined brain regions and, at least in part, might differentiate behavioural disturbances in adult offspring. Consequently, the future effort to identify the biological background of these interactions in the Poly I:C-induced MIA model in Sprague-Dawley rats is desirable to unequivocally clarify this issue.