An improved neuronal energy model that better captures of dynamic property of neuronal activity

Among the theories of neural information coding, the neural energy coding is more accessible to global coding features than traditional neural encoding. According to the shortcomings existing in the neuronal energy model, that is, the non-smooth nature of the energy curve, we proposed an improved neuronal energy model in this paper. The modified energy model is a good choice for establishment of the global model of brain function. And it is also the basis of energy calculation for functional cognitive neural networks in the future.     

Pt/ZnO 在室温水相无碱条件下绿色催化苯甲醇选择性氧化

醇类化合物选择性氧化是有机合成中一个非常重要的反应, 在精细化工领域具有重要应用. 而以水为绿色溶剂, 分子氧为绿色氧化剂实现醇类化合物选择性氧化是绿色化学领域的一大挑战. Pt 催化剂由于其优异的活化氧气和 C-H 键的能力在该反应中得到了广泛应用. 但是, 常规的 Pt 催化剂通常需要在较高温度和较高氧气压力以及加碱的条件下才能发挥作用, 从而引起了催化剂腐蚀等一系列问题. 从绿色化学角度出发, 进一步优化 Pt 催化剂, 让其能够在室温无碱条件下以空气为氧化剂选择性氧化醇类合成羰基化合物具有重要的研究价值和应用前景.本文通过化学还原法制备了 Pt/ZnO 催化剂, 系统研究了该催化剂在水相无碱条件下选择性氧化苯甲醇生成苯甲醛反应中的催化性能. X 射线电子衍射和透射电镜等结果表明, Pt 颗粒较小(3.2 ± 0.3 nm), 均匀分散在 ZnO 载体上; X 射线光电子能谱表明 ZnO 载体能够稳定 Pt 纳米颗粒表面的 Pt0物种. 上述催化剂在水相苯甲醇选择性氧化反应中, 在室温下即可催化空气高选择性氧化苯甲醇到苯甲醛 (选择性>99%), 并表现出比 Pt/SiO2, Pt/Al2O3, Pt/TiO2, Pt/Ca(Mg)-ZSM-5 等催化剂更为优异的催化活性. 这可归结于 Pt 和 ZnO 之间的协同作用. 该协同作用通过动力学实验和密度泛函理论计算 (DFT)得到了证实. 氧分压实验表明, 在以空气为氧化剂时, O2的活化并不是限制 Pt/ZnO 催化活性的关键因素, 而动力学同位素效应实验则证实了苯甲醇的 C-H 键活化是整个反应的决速步骤. 通过构建不同的理论模型, 分别计算了 Pt/ZnO 界面处以及纯 Pt 位点上苯甲醇选择性氧化的反应过程. 结果表明, 苯甲醇和氧气分子倾向于分别在 ZnO 和 Pt 上进行吸附, 随后由吸附的氧气分子来活化苯甲醇中的 C-H 键, 进而生成苯甲醛和水. 而当 ZnO 不参与苯甲醇的吸附活化时, 整个反应的活化能会大大提高, 表明 ZnO 和 Pt 之间的协同作用对于整个反应至关重要. 此外, Pt/ZnO 表现出非常优异的稳定性, 循环使用 4 次后, 催化剂结构以及催化活性没有显著变化.进一步向 Pt/ZnO 催化剂中引入少量 Bi 元素对 Pt 的电子结构进行修饰, 可以将 Pt/ZnO 的催化活性提高 3 倍. 所制备的 Pt/Bi-ZnO 复合物是目前报道的相同条件下催化苯甲醇选择性氧化反应转化频率 (45.1 h-1)最高的催化剂.     

Transition metal decorated bismuthene for ammonia synthesis: A density functional theory study

The electrochemical nitrogen reduction reaction (NRR) for the ammonia production under ambient conditions is regarded as a sustainable alternative to the industrial Haber–Bosch process. However, the electrocatalytic systems that efficiently catalyze nitrogen reduction remain elusive. In the work, the nitrogen reduction activity of the transition metal decorated bismuthene TM@Bis is fully investigated by means of density functional theory calculations. Our results demonstrate that W@Bis delivers the best efficiency, wherein the potential-determining step is located at the last protonation step of *NH₂ + H⁺ + e^– → *NH₃ via the distal mechanism with the limiting potential U_L of 0.26 V. Furthermore, the dopants of Re and Os are also promising candidates for experimental synthesis due to its good selectivity, in despite of the slightly higher U_L of NRR with the value of 0.55 V. However, the candidates of Ti, V, Nb and Mo delivered the relative lower U_L of 0.35, 0.37, 0.41 and 0.43 V might be suffered from the side hydrogen evolution reaction. More interestingly, a volcano curve is established between U_L and valence electrons of metal elements wherein W with 4 electrons in d band located at the summit. Such phenomenon originates from the underlying acceptance-back donation mechanism. Therefore, our work provides a fundament understanding for the material design for nitrogen reduction electrocatalysis.     

Subwavelength structures for high power laser antireflection application on fused silica by one-step reactive ion etching

In this paper we report a simple method to fabricate a novel subwavelength structure surface on fused silica substrate using one-step reactive ion etching with two-dimensional polystyrene colloidal crystals as masks. The etching process and the morphologies of the obtained structure are controlled. We show that the period of the obtained fused silica pillar-like arrays were determined by the initial polystyrene nanoparticle size. The height of pillar arrays can be adjusted by controlling the etching duration, which is proved to be of importance in tailoring the antireflection properties of subwavelength structures surface. The novel subwavelength structures surface exhibit excellent broadband antireflection properties, but the size of the pillar affects the antireflective properties in short wavelength region. We anticipate this method would offer a convenient and scalable way for inexpensive and high-efficiency high power laser field designs.     

Non-integrability of the Karabut system

In order to characterize the solitary wave in a fluid of finite depth, Witting introduced a specific power series (the Witting series). Karabut demonstrated that the problem of summation of the Witting series is brought to the integration of a particular system of ordinary differential equations and solved this system in the cases when the number of the equations is three or four. We give a simple proof that the Karabut system of five equations is already non-integrable in non-Hamiltonian sense using the Differential Galois approach.     

基于车载通信标准街道场景的电磁散射信道模型

针对室外无线信道视距(line of sight,LOS)/非视距(non-line of sight,NLOS)传输环境下的车到车(vehicular-to-vehicular,V2V)通信系统,本文提出了一种基于标准街道散射的统计信道模型,其移动发射机(mobile transmitter,MT)与移动接收机(mobile receiver,MR)处于运动状态,街道两旁分布的散射体固定.由几何模型出发又引入了一种随机的参考信道模型,其散射体有无穷多个,均以平行于街道两侧的散射条纹形式均匀分布在三维(three dimensional,3D)空间的一个二维(two dimensional,2D)矩形内部.在室外街道通信环境下,模型推导了散射信道中发射角(angle of departure,AOD)以及到达角(angle of arrival,AOA)的概率密度函数(probability density functions,PDFs)解析式;研究了多普勒功率谱密度(power spectral density,PSD)及其时间自相关函数(autocorrelation function,ACF);分析了模型多普勒参数以及街道散射体等因素对V2V通信系统性能的影响.与城市、农村的测量信道对比分析,表明本模型仿真的统计特性符合理论与实际,拓宽了室外V2V无线通信信道建模的研究.为评估室外V2V通信系统的传输特性、仿真无线通信系统提供了有力的研究工具.     

An (s,S) random lifetime inventory model with a positive lead time

Positive lead times substantially complicate the modeling and analysis of inventory systems with finite shelf lifetimes and they have not been sufficiently addressed in the existing literature. In this paper, we analyze an (s, S) continuous review model with a positive lead time. We assume an exponential lifetime and an exponential lead time. Matrix-geometric solutions can be obtained for the steady state probability distribution of the inventory level. We then derive the total expected cost function. We carry out numerical studies and gain insights to the selection of system parameters. The findings on the impact of a positive lead time on the optimal reorder point and reorder batch size will be useful in developing strategies in handling inventory problems with finite lifetimes and positive lead times.     

Intertwined Basins of Attraction in Systems of O.D.E.

We investigate the basins of attraction in two dimensional ordinary differential equations (O.D.E.), and show that under certain conditions the basins of attraction are of fine and intertwined structure, which giving rise to an obstruction to predictability.     

Stereoselective synthesis of sterically constrained dipeptides. Part 2

The alkylation of the diastereomeric mixture of lactims 2 and 3 occurs in total regioselectivity and good to high facial stereoselectivity (d.s. ranging from 82 to 97%). Cleavage of the lactim 4e gives enantiomerically pure dipeptide 12, sterically constrained at the α-carbon. The absolute configuration of the new stereocentres has been assigned on the basis of ¹H-NMR data and NOE measurements.