Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea

Crystalline nitrodiphenyl ureas adopt the N-H...O tape alpha-network only when stabilization accrues from the I...O(2)N or C[triple bond]C-H...O(2)N synthon, otherwise the ureanitro motif is preferred; soft, weak interactions can direct polar self-assembly in strong N-HO hydrogen-bonded crystals.     

Computational studies of the thermal fragmentation of P-arylphosphiranes: have arylphosphinidenes been generated by this method?

CASSCF, CASPT2, CCSD(T), and (U)B3LYP electronic structure calculations have been performed in order to investigate the thermal fragmentation of P-phenylphosphirane (1) to phenylphosphinidene (PhP) and ethylene. The calculations show that generation of triplet PhP via a stepwise pathway is 21 kcal mol(-1) less endothermic and has a 12 kcal mol(-1) lower barrier height than concerted fragmentation of 1 to give singlet PhP. The formation of singlet PhP via a concerted pathway is predicted to be stereospecific, whereas formation of triplet PhP is predicted to occur with complete loss of stereochemistry. However, calculations on fragmentation of anti-cis-2,3-dimethyl-P-mesitylphosphirane (cis-1Me) to triplet mesitylphosphinidene (MesP) indicate that this reaction should be more stereospecific, in agreement with the experimental results of Li and Gaspar. Nevertheless, with a predicted free energy of activation of 42 kcal mol(-1), the formation of MesP from cis-1Me is not likely to have occurred in an uncatalyzed reaction at the temperatures at which this phosphirane has been pyrolyzed.     

Semi-Supervised Cross-Subject Emotion Recognition Based on Stacked Denoising Autoencoder Architecture Using a Fusion of Multi-Modal Physiological Signals

In recent decades, emotion recognition has received considerable attention. As more enthusiasm has shifted to the physiological pattern, a wide range of elaborate physiological emotion data features come up and are combined with various classifying models to detect one’s emotional states. To circumvent the labor of artificially designing features, we propose to acquire affective and robust representations automatically through the Stacked Denoising Autoencoder (SDA) architecture with unsupervised pre-training, followed by supervised fine-tuning. In this paper, we compare the performances of different features and models through three binary classification tasks based on the Valence-Arousal-Dominance (VAD) affection model. Decision fusion and feature fusion of electroencephalogram (EEG) and peripheral signals are performed on hand-engineered features; data-level fusion is performed on deep-learning methods. It turns out that the fusion data perform better than the two modalities. To take advantage of deep-learning algorithms, we augment the original data and feed it directly into our training model. We use two deep architectures and another generative stacked semi-supervised architecture as references for comparison to test the method’s practical effects. The results reveal that our scheme slightly outperforms the other three deep feature extractors and surpasses the state-of-the-art of hand-engineered features.     

Comparison of Fatty Acid Contents and MMP-1 Inhibitory Effects of the Two Antarctic Fish,Notothenia rossii and Champsocephalus gunnari

Total fatty-acid (FA) contents of different organs (stomach, liver, brain, and skin) of two Antarctic fish, marbled rockcod (Notothenia rossii) and mackerel icefish (Champsocephalus gunnari), were examined using gas chromatography–mass spectrometry (GC–MS). N. rossii possessed higher contents of total omega-3, where eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA), the most represented omega-3 FAs, were distributed throughout all parts of the fish. The highest level of EPA was observed in the skin and that of DHA was observed in the brain of N. rossii. C. gunnari showed organ peculiarity in that most of the omega-3 FAs were found in stomach and skin. Specifically, the highest levels of EPA and DHA were both observed in the stomach. Although N. rossii and C. gunnari both inhabit the Antarctic Southern Oceans, their characteristics in terms of the composition of fatty acids were shown to vary. The extracts were also evaluated for matrix metalloproteinase-1 (MMP-1)-inhibitory activities in UVB-induced human dermal fibroblasts, where extracts of the skin and liver of N. rossii showed the most significant inhibition upon MMP-1 production. These findings provide experimental evidence that the extracts of the Antarctic fish could be utilized as bioactive nutrients, particularly in the enhancement of skin health.     

用序列二次规划法设计ICF 靶区光路

 运用序列二次规划法设计了靶区光路。由ICF 柱面靶间接驱动实验对多路激光束排布的要求, 建立靶区数学模型, 用本文设计结果构筑光路排布线框实体。该三维线框以特征线代表60路激光驱动光束实体, 以特征线段的转折点代表240面反射镜的空间位置。     

利用宇宙线对BESⅢ量能器CsⅠ（Tl）晶体探测器单元的测量

利用宇宙射线进行探测器模型的性能测试是高能物理普遍采用的方法，其中最重要的步骤之一就是确定宇宙线入射的准确位置和径迹．多数采用丝室探测器来进行宇宙线的精确定位，需要很高的造价和复杂的电子学系统．本文介绍一种简单的定位方法，采用塑料闪烁体条加波移剂光纤编码读出的方式，可以实现精度为1cm的定位．据此建立了一套实验装置，对BESⅢ电磁量能器CsⅠ（Tl）晶体探测器单元的光输出强度和不均匀性进行了测量．     

Acid-Catalyzed Cyclodehydration of Quinazolone Prepolymers

The effect of p-toluenesulfonic acid and phosphoric acid on the cyclodehydration of quinazolone prepolymers has been investigated. Isothermal weight loss during the curing process was monitored closely to follow the extent of cyclization. The optimum weight loss corresponding to 2 mol water is used as an indication of the formation of a fully cyclized quinazolone structure without concurrent decarboxylation. This can be achieved by incorporating the catalyst at 2 wt% concentration, which permits a lower curing temperature than those previously reported. The polymers formed in the presence of catalyst have thermal stability superior to those prepared without catalyst. The glass transition temperature is also raised. This we conclude to be a direct result of the decrease in the amount of incomplete quinazolone rings along the polymer backbone as a result of more efficient cyclization catalyzed by the acids.