唑类化合物双氢键催化转酰胺反应的机制研究

通过密度泛函M062X方法在6-31+G(d)基组水平上考察乙酰胺与甲胺在唑类化合物咪唑、吡唑和苯并三唑双氢键催化作用下的转酰胺反应机制。在该机制中,催化剂通过与底物乙酰胺的羰基氧以及氨基上的一个氢形成双氢键来活化其酰胺键,从而有利于亲核试剂甲胺对乙酰胺酰胺键的亲核进攻。计算结果显示,咪唑和吡唑催化的转酰胺反应焓变能垒分别是123.9 kJ·mol-1和92.3 kJ·mol-1,而苯并三唑做催化剂时焓变能垒降低为88.3 kJ·mol-1,其催化效果优于咪唑和吡唑。当运用溶质全电子密度溶剂化模型SMD (solvation model density)来考察甲苯和水作为溶剂对苯并三唑催化的转酰胺反应产生的溶剂效应时,发现溶剂的加入使反应焓变能垒明显升高,说明溶剂的加入并不利于反应的进行     

腐蚀套管剩余强度计算

借鉴API RP 579等标准推荐作法,研究了基于测井数据的缺陷描述方法、剩余强度计算方法。建立的腐蚀套管缺陷识别与剩余强度计算模型具有一定的适用性。     

酸碱影响下砂岩流变参数识别方法及敏感度

根据长期暴露在自然环境中的砂质岩体易遭受水及可溶离子化学侵蚀作用的事实,通过对相同浓度不同pH值CaCl₂试剂浸泡处理过的砂岩试件进行三轴剪切试验,根据试验结果选取符合试验规律的二阶简化广义Kelvin流变模型,按照定泊松比假设将其变形为三项应力状态。基于搜索模式的最小二乘方法（LSMPS）获取模型参数最优解,以均方根误差评价模型对各参数变化的敏感性程度。采用延迟时间评价砂岩在不同化学环境中达到稳定蠕变过程所需时间。通过搜索模式识别的模型参数能够使模型计算值与加载试验获得的实测值比较接近,表明该模型及其参数识别方法在确定受化学因素干扰下的砂岩流变特征比较适用。     

Broadband terahertz spectroscopy of amino acids

Broadband spectra of 20 L-amino acids were obtained at room temperature by terahertz time-domain and infrared spectroscopy. The intensity of terahertz absorption peaks varied with the concentrations of amino acids, and the optimum proportion for each amino acid was obtained. An absorption spectral database of 20 L-amino acids was established from 0 to 6 THz. The associations between terahertz absorption peaks and molecular structures of amino acids were analyzed. The terahertz spectra for L-alanine were compared with the calculated results based on density functional theory using two basis sets that were reliably consistent.     

乳化沥青冷再生混合料疲劳性能及影响因素

为研究乳化沥青冷再生混合料抗疲劳性能关键影响因素,采用应力控制模式下的间接拉伸疲劳试验,分析应力水平、水泥用量、旧料( relaimed asphalt pavement, RAP)掺量、乳化沥青类型及乳化沥青用量等因素对冷再生混合料疲劳性能的影响规律,最后,基于灰关联熵分析,对各影响因素进行了量化与比较。结果表明：乳化沥青针入度指标、RAP掺量对乳化沥青冷再生混合料疲劳寿命影响最为显著,乳化沥青用量、乳化沥青延度指标影响次之,应力水平、水泥用量影响最小。     

T C-1-HPV16 L1细胞模型与动物模型的建立与评价

为了解决人乳头瘤病毒16型L1蛋白(HPV16L1)为主要靶点的疫苗缺乏肿瘤模型细胞来验证疫苗的免疫效果的问题,构建了一个细胞模型并可以利用此细胞在实验动物体内形成肿瘤,用于以HPV16L1为主要靶点疫苗的验证实验。利用这个模型细胞或肿瘤模型可以在体内外检测疫苗的免疫学性质和保护功效。首先,利用聚合酶链式反应(polymerase chain reaction,PCR)的方法获得目标基因HPV16L1的基因序列并连接到载体质粒中,将质粒转染到细胞TC-1后在杀稻瘟菌素抗性压力筛选下获得稳定表达HPV16L1的细胞株。对TC-1和TC-1-HPV16L1两种细胞的生长增殖和成瘤特性进行比较发现,外源基因的加入对细胞特性没有影响。通过体外杀伤实验证实细胞TC-1-HPV16L1能够被HPV16L1靶点疫苗免疫过的小鼠脾淋巴细胞杀伤。实验动物被疫苗免疫后,进行攻瘤实验发现疫苗只对TC-1-HPV16L1组具有保护作用。综上,在本研究中成功地构建了可以检测HPV16L1疫苗的抑瘤效果的模型细胞TC-1-HPV16L1,为HPV疫苗的研究提供了一个模型细胞。     

使用驾驶人瞳孔直径的固定物冲突识别方法

以寻找可反映驾驶人心理负荷的交通冲突识别指标及基于该指标的交通冲突识别方法为目的,通过比较分析明确了冲突刺激与瞳孔直径的相关关系,针对原始GSA(gravitational search algorithm)识别方法仅可搜索最优解的缺陷并面向交通冲突识别要求提出了基于瞳孔直径的GSA-T交通冲突快速识别方法.撞固定物冲突验证结果显示GSA-T方法的对比次数和识别时间均比枚举方法少,证明GSA-T方法具有较低时间复杂度和空间复杂度的优势,可满足交通冲突识别和道路安全评价的要求.     

乳化沥青冷再生混合料和易性指标及影响因素

为了研究乳化沥青冷再生混合料和易性,采用自主研发的和易性测试设备,以扭矩值作为乳化沥青冷再生混合料和易性表征指标,研究了不同特性的乳化沥青、回收沥青路面材料( reclaimed asphalt pavement,RAP)掺量及拌和用水量对乳化沥青冷再生混合料和易性的影响规律,分析了乳化沥青冷再生混合料和易性影响因素的显著性,并通过反算水泥初凝时间以及旋转压实成型试件的体积参数是否在规范范围验证了测试方法及指标的合理性.结果表明：再生混合料和易性随着RAP掺量的增加而变差,合适的拌和用水量能显著改善再生混合料和易性;RAP掺量和拌和用水量对再生混合料和易性有显著影响,而乳化沥青特性的影响不明显;乳化沥青冷再生混合料在拌和后存在一个最佳压实时机,推荐扭矩阈值为20 N·m.     

Effect of Nb on the Microstructure and Properties of Cold Rolled and Annealed Mo Microalloyed Bainitic Steel

Two kinds of low carbon bainitic steels,Nb-free Mo bearing and Nb + Mo addition steels,were cold rolled and annealed to investigate the effect of micro-alloying element Nb on the microstructure and properties of Mo microalloyed low carbon high strength bainitic steel. No precipitates were observed in Nb-free Mo bearing steel,whereas,two types of precipitates,i.e.,Nb( C,N) and composite( Nb,Mo)( C,N),were observed in the Nb + Mo microalloyed steel,resulting in precipitation strengthening. The strength of Mo bearing steel was improved by addition of Nb under the same annealing conditions. The grain size of Nb addition steel was almost the same as Nb-free steel. Unlike the obvious grain refinement and precipitation strengthening in hot rolling,the increase in yield strength of Nb addition steels in cold rolling and annealing mainly results from the precipitation strengthening,while the effect of grain refinement strengthening can be almost ignored.     

Design and implementation of path planning algorithm for vehicle parking

Parking is an important and indispensable skill for drivers. With rapid urban development, the automatic parking assistant system is one of the key components in future automobiles. Path planning is always essential for solving parking problems. In this paper, a path planning method is proposed for parking using straight lines and circular curves of different radius without collisions with obstacles. The parking process is divided into two steps in which the vehicle reaches the goal state through the intermediate state from the initial state. The intermediate state will be selected from the intermediate state set with a certain criterion in order to avoid obstacles. Similarly, an appropriate goal state will be selected based on the size of the parking lot. In addition, an automatic parking system is built, which effectively achieves the parking lot perception, path planning and performs parking processes in the environment with obstacles. The result of simulations and experiments demonstrates the feasibility and practicality of the proposed method and the automatic parking system.