Time out of mind: Dissociation in the virtual world.

While greatly facilitating ease of interaction across time and geographic boundaries, the virtual world presents an unreal universe comprised of instant connection and gratification. Our culture has embraced this alternate reality in the form of online journals, chat rooms, and excessive involvement with video games, as well as Internet pornography and sexual solicitation. Psychoanalytic principles can greatly illuminate our understanding of individuals' involvement with virtual reality as it becomes disruptive to work and meaningful relationships. Two cases will be used to illustrate overinvolvement with the virtual world as a form of dissociation in which the individuals retreat from the painful memories, deficits, and helplessness they experience in the real world to a subjective state in which they can attempt to exercise control and aggressively capture the supplies they lack. In the course of treatment, the dissociated material must be invited into the therapeutic dyad so that it may become a conscious and accepted part of the self. The process involves both verbal interpretation and relational grounding in the person of the therapist. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

几种稀土氨基酸络合物合成及离解动力学研究

本文合成了稀土（ＲＥ＝Ｌａ，Ｐｒ）与甘氨酸（Ｇｌｙ），谷氨酸（Ｇｌｕ）四种络合物及镨与赖氨酸（Ｌｙｓ）的络合物。在模拟生理条件下，测定了络合物的离解动力学方程。实验表明，在ｐＨ＝４时，络合物的离解呈现一级动力学规律，并且镨赖氨酸络合物离解迅速且离解程度较大，谷氨酸络合物离解速度亦较快，甘氨酸络合物则不发生离解。作为络合物中心离子的Ｌａ和Ｐｒ对络合物的离解速度影响较小。稀土甘氨酸络合物较稳定，用于饲料添加剂是有利的     

Oxidation state of oxide supported nanometric gold

We address the structure gap between surface science and catalysis studies of the activity of oxide supported Au clusters. Reviewing the recent literature we find that surface science investigations often deal with highly reduced systems that have anionic Au clusters and oxygen vacancies in the support. The catalysis studies on the other hand consistently report on oxidized samples with traces of cationic Au. Performing density functional theory calculations we show that the effect of oxidation of oxide supported Au clusters, Au₈/MgO, Au₇/TiO₂ and Au₁₀/TiO₂, is a strong increase in the Au/support adhesion energy and a great structural transformation of the clusters. Some of the Au atoms become positively charged (cationic) in the oxidation process as evidenced indirectly by calculated vibrational stretch frequency shifts of adsorbed CO.     

Proactive interference, accessibility bias, and process dissociations: Valid subject reports of memory.

Proactive interference was assessed with a variant of the process-dissociation procedure, which separates effects of habit (accessibility bias) and recollection (discriminability). In three cued-recall experiments, proactive interference was shown to be an effect of bias rather than an effect on actual remembering. Divided attention, age, and study duration selectively influenced the recollection parameter, whereas training probability selectively influenced the habit parameter. Furthermore, in Experiments 2 and 3, subjective reports of remembering were highly correlated with, and nearly identical to, objective estimates of recollection gained from the process-dissociation procedure. The authors discuss the relevance of the results to theories of proactive interference and argue that older adults' greater susceptibility to interference effects is sometimes caused by an inability to recollect rather than by an inability to inhibit a preponderant response. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Reactivity of triacetone triperoxide and diacetone diperoxide: Insights from nuclear Fukui function

Triacetone triperoxide (TATP) is more sensitive than diacetone diperoxide (DADP) in the solid-state explosion. To explain this reactivity difference, we analyzed the electronic structures and properties of the crystals of both compounds by using Ab initio method to calculate the structures of their individual molecules as well as their lattice structures and particularly calculating Nuclear Fukui function to gain insight into the sensitivity of the initial, rate-determining step of their decomposition. Our results indicate that TATP and DADP crystal structures exhibit significantly different electronic properties. Most notably, the electronic structure of the TATP crystal shows asymmetry among its reactive oxygen atoms as supported by magnitudes of their nuclear Fukui functions. The greater explosion sensitivity of crystalline TATP may be attributed to the properties of its electronic structure. The electronic calculations provided valuable insight into the decomposition sensitivity difference between TATP and DADP crystals.     

氯溴双卤代烷烃分子构型和光谱对烷基链长依赖关系的研究

氯溴双卤代烷烃在太阳紫外光辐射下解离生成游离态的氯和溴自由基,它们是破坏臭氧的主要元凶之一。利用B3LYP/6-311++G(d,p)方法对氯溴双卤代烷烃分子CnH2nBrCl(n=1~16)进行分子构型优化以及红外光谱的计算。根据数据进行分析比较,得到了氯溴双卤代烷烃C-Br键和C-Cl键的键长、键角等构型参数随烷基支链长度增加(n为1~16)的变化趋势图。研究讨论了氯溴双卤代烷烃的红外光谱相关振动随烷基支链长度增加的重要变化规律。     

Fast NMR Methods for Measuring in the Direct and/or Competition Mode the Dissociation Constants of Chemical Fragments Interacting with a Receptor

Ligand-based NMR screening represents a powerful method in fragment-based drug discovery for the identification of chemical matter interacting with the receptor of interest. The large dynamic range of these methods allows the detection of weakly binding ligands. However, the methodology has not been extensively used for quantifying the strength of these interactions. This knowledge is important for ranking fragments according to their binding strength and for prioritizing structure-based and medicinal chemistry activities. Rapid NMR methods for measuring the dissociation constant in direct and competition modes are presented here. The theory underpinning these methods are presented, along with their application to the measurement of the binding affinities of several ligands of the heat shock protein 90.     

Development of bipolar membrane-based processes

Recently, a bipolar membrane-based process has become one of the most attractive fields in the world from both academic and industrial points of view. The intention of this paper is to give a brief overview and technical advantages as well as some experimental results by using bipolar membranes in the areas of environmental engineering, chemical production, bioengineering, energy sources, etc.     

Evaluation of detailed molecular structures for sequential thermal dissolution extracts of a subbituminous coal using a tandem mass spectrometric method

Comprehensive and in-depth understanding of the molecular structure of low-rank coals is the basis for clean and efficient utilization. The detailed molecular structure of sequential thermal dissolution (TD) extracts from a subbituminous coal was characterized using a high-resolution mass spectrometry run in a tandem MS method, in-source collision-activated dissociation. Cyclohexane and toluene TD extracts released compounds with less oxygen and more nitrogen atoms located on aromatic cores compared to ethanol and isopropanol TD extracts. Archipelago-structured compounds presented in asphaltenes were also observed in compounds from toluene TD extract. Principle component analysis, a multivariate statistical method, was introduced to mine molecular characteristics of the TD extracts. TD yield and relative abundance of CH class (without heteroatom) became the key point to determine the clustering pattern for whole molecules and aromatic cores, respectively.     

An easily prepared Ag8GeS6 nanocrystal and its role on the performance enhancement of polymer solar cells

Novel Ag₈GeS₆ nanocrystal materials (AGS NCs) have recently earned affectionate attention due to its bulk band-gap of 1.4 eV, which makes it ideal as a broad-spectrum absorber material for both semiconductor photocatalyst and photovoltaic devices. In this paper, we investigated the role of AGS NCs as molecular dopant on solution-processed polymer solar cells (PSCs). Argyrodite AGS NCs was prepared via a colloidal synthesis process using simple inorganic compounds as precursors. Incorporating AGS NCs into PSCs leads to not only improved light absorption of active layer but also increased phase separation of donor and acceptor. Moreover, the doping effect of AGS NCs was also confirmed by nanoscale morphology and photocurrent generation mechanism analysis, revealing that AGS NCs could serve as both exciton dissociation centers and charge transfer medium. This study shows that employment of AGS NCs is a facile way to improve the electrical and optical properties of organic photovoltaic devices.