Raman Spectra of Amino Wagging Vibrational Modes in p-π-Conjugated Molecules

拉曼光谱是一种用途广泛的无损分子检测技术,其能够提供化学物质的分子结构指纹信息.一种面外弯曲振动模被称作WAggIng振动,它的信号尤为特殊,其频率和强度都非常依赖于检测环境.以乙烯胺和苯胺为例,采用密度泛函理论计算研究了P-π共轭分子分别与水簇和银簇作用的平衡结构、成键作用和拉曼光谱.结果表明,弱相互作用,如分子与金属表面的弱吸附作用以及分子与水之间的氢键作用,均使氨基面外弯曲振动模(ωnH2)的拉曼信号发生显著的变化.考虑溶剂化效应后,氢键作用减弱,计算拉曼光谱趋于一致.通过进一步对电子结构的分析,解释了面外弯曲振动信号显著增强的原因,揭示了面外弯曲振动模与分子P-π共轭作用之间的关系.Raman spectroscopy has been widely used as a non-destructive testing and molecular recognition technology, providing fingerprint information for chemical and biological molecular structures.One type of out-of-plane bending vibration observed in Raman spectroscopy is named the‘wagging vibration’.The Raman signal of the wagging mode is very sensitive; not only the vibrational frequency but also the Raman intensity depends strongly on environment factors.In this report, density functional theory (DFT) calculations are used to study the equilibrium structures, binding interactions, and Raman spectra of vinylamine and aniline as well as their complexes with silver clusters and water clusters.Vinylamine-silver and aniline-silver clusters were used to simulate the interactions of the molecules adsorbed on silver surfaces, while vinylamine-water and aniline-water clusters were used to investigate the hydrogen bonding interactions of vinylamine and aniline with water clusters.Our calculated results show that the Raman signal of the amino wagging mode strongly depends on the hydrogen bonding interaction of the nitrogen lone pair in the amino group with the O―H bond of water.Increasing the size of the water clusters causes a large blue shift and considerable enhancement in the intensity of the wagging vibration.When the polarized continuum model was used to consider the solvation effect, the electrostatic interaction contributing to the hydrogen bond was weakened.In this case, the simulated Raman spectra were similar to each other.For vinylamine and aniline interacting with silver clusters, the Raman signals of the amino wagging vibration were changed by the weak binding interaction, revealing the relationship between the abnormal signal of wagging vibrations and the weak interaction in p-π-conjugated systems.国家自然科学基金(91027009;21021002;20973143); 国家重点基础研究发展规划项目(973)(2009CB930703); 厦门大学(2010121020)资助~

小型六自由度甲板运动模拟系统

本实用新型属于无人机运动甲板起降引导技术领域，具体的说是一种小型六自由度甲板运动模拟系统。包括无人车底盘、控制模块、六自由度摇摆平台机构、动平台自主起降引导系统及上位机系统，其中六自由度摇摆平台机构设置于无人车底盘上；动平台自主起降引导系统设置于六自由度摇摆平台机构上；控制模块设置于无人车底盘上，用于控制六自由度摇摆平台机构的摇摆姿态和周期及无人车底盘的速度和转向；上位机系统用于接收控制模块发送的六自由度摇摆平台机构和无人车底盘的状态信息，并向六自由度摇摆平台机构和无人车底盘发送指令。本实用新型可以在陆地上方便的实现海面或其它水面的船甲板起降引导试验，可以大大降低前期验证性飞行试验

Biomass allocation in Suaeda salsa population in different habitats of coastal zone

盐地碱蓬是黄河三角洲重要的先锋植物,抗盐能力强,分布范围广,对维持该地区生态系统稳定和演替发挥着重要作用。通过野外取样测定,研究了潮间带和潮上带盐地碱蓬种群的形态及生物量分配特征。在个体大小上,潮间带盐地碱蓬在株高和地径上显著低于潮上带盐地碱蓬; 潮上带盐地碱蓬密集分布的株高高于散生分布,而生物量低于散生分布。在生物量分配特征上,潮间带盐地碱蓬Ⅰ以发展花、叶为主,潮上带盐地碱蓬Ⅱ的密集分布以优先发展茎为主,潮上带盐地碱蓬Ⅲ的散生分布以发展枝为主,属于种群发展的稳定阶段。因此,盐地碱蓬通过形态特征及生物量分配特征的调节,以适应潮间带和潮上带的不同生境特征,从而达到种群维持和土壤改良的目的。 &nbsp

《中国植被志》研编内容与规范

植被志是基于植被(或植物群落)调查资料,全面记叙植被的外貌、物种组成、结构和功能,以及地理分布和生境条件等特征,并对同类植被进行归纳和总结的志书。《中国植被志》是第一部对中国植被进行全面记述的志书,预计完成约48卷110册。在借鉴《中国植被》(1980)(简称"80方案")植被分类基本原则的基础上,《中国植被志》将对中国植被分类系统的高级分类单位(植被型组、植被型和植被亚型)进行归纳和总结,对中级和低级分类单位(群系组、群系、亚群系,群丛组、群丛)进行详细描述。植被高级分类单位的描述具有概括性质,是在中国植被分类系统中级和低级分类单位描述的基础上,对其在全球和中国境内的地理分布、自然环境、群落外貌、植被类型及多样性、优势种或共优势种、生物多样性保育价值以及资源现状等进行概述,并对"80方案"相关内容进行修订和拓展,将提供对中国植被基本特征客观、准确的记述。在植被中级和低级分类单位中,群系组描述的内容包括地理分布、自然环境、群落外貌、植被类型以及价值与保育等内容;群系描述的主要内容包括地理分布、自然环境、生态特征、物种组成、群落结构、群丛组和群丛的分类与描述、优势种的生物学特性、生物量与生产力、植被动态与演替以及价值与保育等方面。作为植被志研编的核心内容,群丛组和群丛的分类与描述主要基于植被调查资料,采用数量分类方法,根据群落结构和物种组成的差异划分出不同的植被类型,并对其基本特征进行定量描述和归纳。其中,群落的层片结构、特定植被分类单元的特征种或特征种组的筛选与甄别是植被类型划分的关键环节;而群落外貌,群落结构,物种组成,各类物种的生长习性、生境的偏适性等是群丛组和群丛描述与归纳的重点内容。该文提出了中国植被中级和低级分类单位的命名方案,其特点在于植被类型的科学名称中同时体现了植被分类单元特征种或优势种的名称及其所属的高级植被分类单位(植被型组或植被型)的名称,兼顾了植被名称的规范性与实用性。《中国植被志》的研编工作由文献整编、群落调查、数据分析与整理、文本撰写等环节组成。该文对植被样方的调查与收集,文献收集与整编,气候、土壤、地形等相关数据的来源及其整理方法,植被分类方法,植被命名,植被分类单元描述的内容,植被志章节编写大纲、体裁及撰写等多个规范进行了详细的阐述或示例

Aripiprazole versus other atypical antipsychotics for schizophrenia

BACKGROUND: In most western industrialised countries, second generation (atypical) antipsychotics are recommended as first line drug treatments for people with schizophrenia. In this review we specifically examine how the efficacy and tolerability of one such agent - aripiprazole - differs from that of other comparable second generation antipsychotics. OBJECTIVES: To evaluate the effects of aripiprazole compared with other atypical antipsychotics for people with schizophrenia and schizophrenia-like psychoses. SEARCH METHODS: We searched the Cochrane Schizophrenia Group Trials Register (November 2011), inspected references of all identified studies for further trials, and contacted relevant pharmaceutical companies, drug approval agencies and authors of trials for additional information. SELECTION CRITERIA: We included all randomised clinical trials (RCTs) comparing aripiprazole (oral) with oral and parenteral forms of amisulpride, clozapine, olanzapine, quetiapine, risperidone, sertindole, ziprasidone or zotepine for people with schizophrenia or schizophrenia-like psychoses. DATA COLLECTION AND ANALYSIS: We extracted data independently. For dichotomous data we calculated risk ratios (RR) and their 95% confidence intervals (CI) on an intention-to-treat basis based on a random-effects model. Where possible, we calculated illustrative comparative risks for primary outcomes. For continuous data, we calculated mean differences (MD), again based on a random-effects model. We assessed risk of bias for each included study. MAIN RESULTS: We included 12 trials involving 6389 patients. Aripiprazole was compared to olanzapine, risperidone and ziprasidone. All trials were sponsored by an interested drug manufacturer. The overall number of participants leaving studies early was 30% to 40%, limiting validity (no differences between groups).When compared with olanzapine no differences were apparent for global state (no clinically important change: n = 703, 1 RCT, RR short-term 1.00 95% CI 0.81 to 1.22; n = 317, 1 RCT, RR medium-term 1.08 95% CI 0.95 to 1.22) but mental state tended to favour olanzapine (n = 1360, 3 RCTs, MD total Positive and Negative Syndrome Scale (PANSS) 4.68 95% CI 2.21 to 7.16). There was no significant difference in extrapyramidal symptoms (n = 529, 2 RCTs, RR 0.99 95% CI 0.62 to 1.59) but fewer in the aripiprazole group had increased cholesterol levels (n = 223, 1 RCT, RR 0.32 95% CI 0.19 to 0.54) or weight gain of 7% or more of total body weight (n = 1095, 3 RCTs, RR 0.39 95% CI 0.28 to 0.54).When compared with risperidone, aripiprazole showed no advantage in terms of global state (n = 384, 2 RCTs, RR no important improvement 1.14 95% CI 0.81 to 1.60) or mental state (n = 372, 2 RCTs, MD total PANSS 1.50 95% CI -2.96 to 5.96).One study compared aripiprazole with ziprasidone (n = 247) and both the groups reported similar change in the global state (n = 247, 1 RCT, MD average change in Clinical Global Impression-Severity (CGI-S) score -0.03 95% CI -0.28 to 0.22) and mental state (n = 247, 1 RCT, MD change PANSS -3.00 95% CI -7.29 to 1.29).When compared with any one of several new generation antipsychotic drugs the aripiprazole group showed improvement in global state in energy (n = 523, 1 RCT, RR 0.69 95% CI 0.56 to 0.84), mood (n = 523, 1 RCT, RR 0.77 95% CI 0.65 to 0.92), negative symptoms (n = 523, 1 RCT, RR 0.82 95% CI 0.68 to 0.99), somnolence (n = 523, 1 RCT, RR 0.80 95% CI 0.69 to 0.93) and weight gain (n = 523, 1 RCT, RR 0.84 95% CI 0.76 to 0.94). Significantly more people given aripiprazole reported symptoms of nausea (n = 2881, 3 RCTs, RR 3.13 95% CI 2.12 to 4.61) but weight gain (7% or more of total body weight) was less common in people allocated aripiprazole (n = 330, 1 RCT, RR 0.35 95% CI 0.19 to 0.64). Aripiprazole may have value in aggression but data are limited. This will be the focus of another review. AUTHORS' CONCLUSIONS: Information on all comparisons are of limited quality, are incomplete and problematic to apply clinically. Aripiprazole is an antipsychotic drug with a variant but not absent adverse effect profile. Long-term data are sparse and there is considerable scope for another update of this review as new data emerges from the many Chinese studies as well as from ongoing larger, independent pragmatic trials

JUNO Sensitivity on Proton Decay p→νˉK+p\to \bar\nu K^+ Searches

The Jiangmen Underground Neutrino Observatory (JUNO) is a large liquid scintillator detector designed to explore many topics in fundamental physics. In this paper, the potential on searching for proton decay in $p\to \bar\nu K^+$ mode with JUNO is investigated.The kaon and its decay particles feature a clear three-fold coincidence signature that results in a high efficiency for identification. Moreover, the excellent energy resolution of JUNO permits to suppress the sizable background caused by other delayed signals. Based on these advantages, the detection efficiency for the proton decay via $p\to \bar\nu K^+$ is 36.9% with a background level of 0.2 events after 10 years of data taking. The estimated sensitivity based on 200 kton-years exposure is $9.6 \times 10^{33}$ years, competitive with the current best limits on the proton lifetime in this channel