Accelerated Nuclear Magnetic Resonance Spectroscopy with Deep Learning

Nuclear magnetic resonance (NMR) spectroscopy serves as an indispensable tool in chemistry and biology but often suffers from long experimental times. We present a proof‐of‐concept of the application of deep learning and neural networks for high‐quality, reliable, and very fast NMR spectra reconstruction from limited experimental data. We show that the neural network training can be achieved using solely synthetic NMR signals, which lifts the prohibiting demand for a large volume of realistic training data usually required for a deep learning approach.     

固体氧化物燃料电池流道结构的研究进展

固体氧化物燃料电池(SOFC)以其燃料使用种类广泛、全固态、可以实现热电联产等特有的优势,广泛应用于家居、商业、工业热电联产和便携式用电设备等领域,是一种极具发展前景的绿色发电装置。连接体是SOFC的重要部件之一,其流道结构直接影响反应气体的利用率以及燃料电池的排水及散热性能,对SOFC的综合性能有很大的影响,是SOFC的一个重要的研究方向。本文概述了SOFC的常见结构及其特点,包括平板式、管式和瓦楞式结构。并综述了近十余年来SOFC流道的设计与研究进展,以期对SOFC的流道结构设计和研究提供参考。     

苯丙苯基化β沸石催化剂上沉积物的组成和性质

 改性β沸石是高压液相苯－丙烯异丙基化合成异丙苯反应的优良催化剂,具有催化活性高和选择性高及稳定性好等优点,已成功进行了中试．用13CNMR,IR,GC－MS,TG等手段,并结合溶剂萃取法、TPO和结构分析等方法,确定了改性β沸石催化剂上沉积物的主要成分是多异丙基苯和四氢化萘,且主要分布在沸石孔道内;同时,快速升温后恒温烧炭的效果优于慢速升温后恒温烧炭的效果．     

超声速气流下强激光辐照靶体失效数值模拟

建立了能够反映激光、流场和结构相互作用的热流固耦合数值计算方法,用于模拟超声速气流（马赫数1.2~4.0）作用下强激光辐照靶体结构的失效行为。分析了不同耦合策略对数值计算结果的影响。研究了激光功率密度及来流马赫数对屈服失效和熔融失效行为的影响。结果表明:激光功率密度对失效辐照时间影响显著;存在一个临界马赫数,使得达到屈服失效和熔融失效的辐照时间最长。通过定量分析激光辐照下不同马赫数的气动生热、散热及能量分配,解释了临界马赫数存在的机理。     

The complex-mode vibration of ultrasonic vibration systems

The longitudinal-flexural and torsional-flexural vibrations are studied for the ultrasonic solid horn and the ultrasonic vibration system comprised of a sandwich transducer and a solid horn. The discussed solid horn is of arbitrary non-uniform cross-section. The analysis on flexural-mode vibration is based on Timoshenko theory. The theoretical results are verified by experiment.     

超细Y_2O_3∶Eu荧光粉的阴极射线发光和光致发光

本文首次报道由尿素溶胶法制备的球形、超细（１２０～２５０ｎｍ）高效Ｙ２Ｏ３∶Ｅｕ红色荧光粉的晶体结构及其阴极射线发光和光致发光性质．这种超细颗粒在２５４ｎｍ激发时的发光强度比商用的传统微米样品低．但在中等电压（≤１０ｋＶ）的电子束激发下，其阴极射线发光强度超过商用微米样品．这种接近纳米的Ｙ２Ｏ３∶Ｅｕ超细颗粒已表现出较强的表面效应．对实验结果进行了分析和讨论．     

On comparison of jump point detection for an exchange rate series

The main purpose of this paper is to investigate the detection of jump points of a discontinuous function in the presence of a noise by the wavelet approach. A computing algorithm of our method is proposed and then applied to the daily exchange rate of US Dollar against Deutsche Mark. All the points detected by our method reflect very strong economic and political impacts. Other statistical methods to detect jump points have also been applied to the same exchange rate data. Our proposed method has produced more convincing empirical results than others.     

Structure-activity relationship of new octaethylporphyrin-based benzochlorins as photosensitizers for photodynamic therapy

An in vitro and in vivo structure-activity relationship study was carried out on a series of benzochlorins with variable lipophilicity. The structural features evaluated in this study include the length of the alkyl or fluoroalkyl groups attached to the six-member exocyclic ring either by an ether or by a carbon-carbon bond. In preliminary in vitro (radiation-induced fibrosarcoma [RIF] cells) and in vivo screening (C3H mice, bearing RIF tumors), all Zn (II) benzochlorins were found to be effective. However, benzochlorins bearing alkyl groups with carbon-carbon bonds showed enhanced efficacy compared with the related alkyl ether analogs. A comparative intracellular localization study of the newly synthesized benzochlorins with Rhodamine-123 indicated that the effective photosensitizers localize in mitochondria, and a displacement study with PK11195 showed their partial affinity for the peripheral benzodiazepine receptor (PBR). Interestingly, compared with the Zn(II) benzochlorin that was found to be quite effective in vivo, the corresponding free-base analog produced less photosensitizing activity and was found to localize in lysosomes. A comparative study with dansyl-proline confirmed the binding of the effective benzochlorins to Site II of human serum albumin (HSA). However, no direct correlation was observed between the binding constant values (to HSA or to PBR) of benzochlorins and their photosensitizing ability.     

激光辐照下有界圆厚板的热弹性弯曲响应分析

考虑板弯曲运动的旋转惯性效应和剪切变形效应，建立了轴对称热能沉积作用下，边界固支或简支圆厚板的热弹性弯曲运动控制方程。利用数学变换和摄动法，导出了各种温度－力学边界条件下板的热弹性弯曲挠度及截面广义转角的解析公式。给出了在空间Ｇａｕｓｓ型分布激光束辐照下，板整体弯曲响应的代表性数值计算结果，直观显示了板弯曲挠度的时空变化规律。