Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

新型低GWP高温热泵工质HFO-1234ze(Z)的研究进展

高温热泵可以有效回收工业余热，达到节能减排和保护环境的目的。目前，有关高温热泵技术的研究热点在于寻找一种全球变暖潜能值(GWP)低、使用性能良好的工质，以替代现有CFC-114、HFC-245fa工质。对新型环境友好型工质HFO-1234ze(Z)进行了综述，其GWP＜1，临界温度高于423 K，是一种潜在的高温热泵替代工质。总结了近年来国内外学者对HFO-1234ze(Z)的合成技术、热力学性质、输运性质、传热性能等方面的研究，并分析了HFO-1234ze(Z)在高温热泵系统中应用的可行性，认为HFO-1234ze(Z)在高温热泵中具有较好的工作性能和发展前景。     

基于2D激光扫描的基准检测技术研究

在机器人自动制孔系统中,基准孔检测的准确性会直接影响整个机器人制孔过程的位置精度。为获取基准孔孔位准确信息,采用激光扫描的方式对基准孔进行检测。设计了2D线激光扫描在基准平面内点云的三维转化方法,通过分析基准孔在扫描仪坐标系下点云的分布特点,提出了一种基于坐标差值的基准孔边界提取算法。通过设定相邻点云在线激光扫描仪坐标系下z轴的坐标差值获取边界点,实验验证该算法能有效地去除点云中的噪声点,获取准确的基准孔边缘特征信息,进而得到准确的基准孔孔位信息。     

A lightweight autonomous MAV for indoor search and rescue

Micro Aerial Vehicles (MAVs) have great potentials to be applied for indoor search and rescue missions. In this paper, we propose a modular lightweight design of an autonomous MAV with integrated hardware and software. The MAV is equipped with the 2D laser scanner, camera, mission computer and flight controller, running all the computation onboard in real time. The onboard perception system includes a laser‐based SLAM module and a custom‐designed visual detection module. A dual Kalman filter design provides robust state estimation by multiple sensor fusion. Specifically, the fusion module provides robust altitude measurement in the circumstance of surface changing. In addition, indoor‐outdoor transition is explicitly handled by the fusion module. In order to efficiently navigate through obstacles and adapt to multiple tasks, a task tree‐based mission planning method is seamlessly integrated with path planning and control modules. The MAV is capable of searching and rescuing victims from unknown indoor environments effectively. It was validated by our award‐winning performance at the 2017 International Micro Air Vehicle Competition (IMAV 2017), held in Toulouse, France. The performance video is available on https://youtu.be/8H19ppS_VXM .     

Indoor solid fuel use for heating and cooking with blood pressure and hypertension: A cross-sectional study among middle-aged and older adults in China

A cross-sectional study was conducted to investigate the impact of solid fuel use for heating and cooking on blood pressure (BP) and hypertension, using data from the China Health and Retirement Longitudinal Study (CHARLS). The primary fuels used for indoor heating and cooking were collected by questionnaires, respectively. Hypertension was defined based on self-report of physician's diagnosis, and/or measured BP, and/or anti-hypertensive medication use. Multivariate logistic regression models were constructed to assess the associations. Among 10 450 eligible participants, 68.2% and 57.2% used indoor solid fuel for heating and cooking, respectively. Compared with none/clean fuel users, solid fuel for heating was associated with elevated BP (adjusted β: 2.02, 95% CI: 1.04–3.01 for systolic BP; adjusted β: 1.36, 95% CI: 0.78–1.94 for diastolic BP) and increased risk of hypertension (adjusted odds ratio: 1.15, 95% CI: 1.03–1.29). The impact of indoor solid fuel for heating on BP was more evident in rural and north residents, and hypertensive patients. We did not detect any significant associations between solid fuel use for cooking and BP/hypertension. Indoor solid fuel use is prevalent in China, especially in the rural areas. Its negative impact on BP suggested that modernization of household fuel use may help to reduce the burden of hypertension in China.     

小型机载激光通信系统设计与验证

针对空空宽带高速通信的需求，设计了小型化机载激光通信系统。仿真分析了300 km、2.5 Gb/s无线激光链路性能，并通过运动仿真台模拟机动环境测试了系统的跟踪与通信性能，其中粗跟踪误差为533.2 μrad(1σ)，精跟踪误差为3.6 μrad(1σ)，测试数据传输240 s，通信误码率为2.82×10-9。仿真与实验验证了该系统用于远距离空空无线激光通信的可行性。     

Hydrogenation process in multiphase alloys of Ti-Zr-Mn-V system on the example of Ti42.75Zr27Mn20.25V10 alloy

The influence of phase composition and microstructure of Ti_42.75Zr₂₇Mn_20.25V₁₀ alloy on its hydrogenation kinetic and phase composition of hydrogenated product was studied. It is established that the process of dissociation of hydrogen molecules begins on the surface of Laves phase crystallites. The dissolution of atomic hydrogen in the material volume leads to the formation of cracks in the intermetallic crystallites, which further appear as additional centers of dissociation of hydrogen molecules and noticeably accelerate the diffusion of hydrogen into the bulk material. It was shown that the Laves phase acts as a donor of atomic hydrogen for the BCC solid solution during hydrogenation of two-phase structure, initiating intensive hydrogenation of the BCC phase at room temperature.     

亲水作用色谱-串联质谱法测定动物源运动食品中3种氨基糖苷类抗生素的残留量

该研究建立了一种亲水交互作用色谱-串联质谱（HILIC-MS/MS）法测定动物源运动食品中潮霉素B、新霉素、安普霉素3种氨基糖苷类抗生素残留量的方法。结果表明，样品经Sielc Obelisc R柱分离，采用0.1%甲酸水溶液-乙腈梯度洗脱，可以实现3种目标物组分的分离。在此条件下，3种氨基糖苷类抗生素在5～500 ng/mL的质量浓度范围内线性关系良好，相关系数R2为0.999 5～0.999 9，检出限均为15 μg/kg，定量限均为50 μg/kg，保留时间的日间和日内相对标准偏差（RSD）分别为3.5%～7.9%和3.5%～4.1%，峰面积的日间和日内RSD分别为3.6%～7.4%和3.2%～3.9%，加标回收率为85.7%～93.6%，回收率试验结果的RSD为3.1%～5.2%。该方法可以满足动物源运动食品中3种氨基糖苷类抗生素的检测需求。     

TiO2/MXene-Assisted LDI-MS for Urine Metabolic Profiling in Urinary Disease

Cancer remains an intractable medical problem. Rapid diagnosis and identification of cancer are critical to differentiate it from nonmalignant diseases. High-throughput biofluid metabolic analysis has potential for cancer diagnosis. Nevertheless, the present metabolite analysis method does not meet the demand for high-throughput screening of diseases. Herein, a high-throughput, cost-effective, and noninvasive urine metabolic profiling method based on TiO₂/MXene-assisted laser desorption/ionization mass spectrometry (LDI-MS) is presented for the efficient screening of bladder cancer (BC) and nonmalignant urinary disease. Combined with machine learning, TiO₂/MXene-assisted LDI-MS enables high diagnostic accuracy (96.8%) for the classification of patient groups (including 47 BC and 46 ureteral calculus (UC) patients) from healthy controls (113 cases). In addition, BC patients can also be identified from noncancerous UC individuals with an accuracy of 88.3% in the independent test cohort. Furthermore, metabolite variations between BC and UC individuals are investigated based on relative quantification, and related pathways are also discussed. These results suggest that this method, based on urine metabolic patterns, provides a potential tool for rapidly distinguishing urinary diseases and it may pave the way for precision medicine.     

Flow state monitoring of gas-water two-phase flow using multi-Gaussian mixture model based on canonical variate analysis

As a highly complex and time-varying process, gas-water two-phase flow is commonly encountered in industries. It has a variety of typical flow states and transition flow states. Accurate identification and monitoring of flow states is not only beneficial to further study of two-phase flow but also helpful for stable operation and economic efficiency of process industry. Combining canonical variate analysis (CVA) and Gaussian mixture model (GMM), a strategy called multi-CVA-GMM is proposed for flow state monitoring in gas-water two-phase flow. CVA is used to extract flow state features from the perspective of correlation between historical data and future data, which solves the cross correlation and temporal correlation of multi-sensor measurement data. GMM calculates the possibility that the current flow state belongs to each typical flow pattern and judges the current flow state by probability indicators. It is conducive to follow-up use of Bayesian inference probability and Mahalanobis distance-based (BID) indicator for flow state monitoring, which avoids repeated traversal of multiple CVA-GMM models and improves the efficiency of the monitoring process. The probability indicators can also be used to analyze transition flow states. The method combining the probabilistic idea of GMM with the deterministic idea of multimodal modeling can accurately identify the current flow state and effectively monitor the evolution of flow state. The multi-CVA-GMM method is validated by using the measured data of the horizontal flow loop of gas-water two-phase flow experimental facility, and its effectiveness is proved.