有机半导体Terazulene单晶双极电荷传输性质的理论研究

利用密度泛函方法计算Terazulene单晶的重组能和分子间电子耦合,结合Marcus电荷转移速率理论以及随机行走技术模拟电荷迁移率,分别研究Terazulene单晶中电子与空穴的角分辨各向异性迁移率及平均迁移率.结果表明,Terazulene单晶具有均衡的电子与空穴传输性质,并分析了具体原因.由于p型有机半导体Naphthodithiophene(NDT)的分子共轭长度与Terazulene接近,通过比较Terazulene单晶和NDT单晶中电荷传输的差异,从理论上理解分子结构对有机半导体材料电荷传输性能的影响.     

A novel blind spatial-based random access to pilots (BSB-RAP) in overloaded massive MIMO systems

In this study, to increase the success rate of active user admission in overloaded massive multi-input multi-output (MIMO) systems, a new spatially based random access to pilots (RAP) is proposed to assign orthogonal pilots to the users requesting network access. Therefore, by increasing the acceptance rate of users in a cell, this approach reduces the training overhead and waste of resources. In the massive MIMO for crowd scenarios, the main issue is the limited number of available orthogonal pilots employed by the users in the channel estimation process. This novel approach as spatially based random access enables us to have more connected users during every coherence interval (CI) despite the mentioned limitation. Intrinsic angular domain sparsity of massive MIMO channels and the sporadic traffic of users can help us obtain the spatial features of active UEs in a blind continuous compressed sensing (CCS) approach. Proposed approach is to use a continuous compressed sensing technique based on a prior optimization that provides users’ angle of arrival (AoA) and an innovative space-based RAP protocol to assign orthogonal pilots to active users in coherent transmission. Unlike the previous works, this strategy does not need to limit the number of users to the number of available orthogonal pilots due to the employed spatial degrees of freedom.     

纳升液相色谱-质谱分析方法的重现性对尿液多肽组分析结果的影响

多肽组学是蛋白质组学技术的延伸和扩展,在医学和生物学研究中的应用日益广泛,但是,多肽组鉴定方法的重现性对实验结果的影响目前尚不清楚.本研究利用纳升液相色谱-高分辨质谱对健康人的尿液多肽组进行了7次平行分析,考察图谱数目、图谱利用率、鉴定的肽段数目、蛋白质数目、样品总离子强度和肽段保留时间等指标的变化,以揭示重复实验之间分析结果的可变性和稳定性.7次测定的肽段数目平均值为208,标准偏差为38;7次结果合并后,得到了归属于114个蛋白质的426个肽段,肽段和蛋白质数目均显著增加;而35个蛋白质的109个肽段在所有7次实验中均被检出,表明多肽组的单次分析结果既具有一定的随机性,又具有相对的稳定性.增加平行实验次数会扩大多肽组数据集,但测定3次以上后增加幅度减小.相比于肽段,多肽组的结果在蛋白质水平上更为稳定,提示利用蛋白质为多肽组的生物标志物更为稳健.     

A Dirichlet form approach to MCMC optimal scaling

This paper shows how the theory of Dirichlet forms can be used to deliver proofs of optimal scaling results for Markov chain Monte Carlo algorithms (specifically, Metropolis–Hastings random walk samplers) under regularity conditions which are substantially weaker than those required by the original approach (based on the use of infinitesimal generators). The Dirichlet form methods have the added advantage of providing an explicit construction of the underlying infinite-dimensional context. In particular, this enables us directly to establish weak convergence to the relevant infinite-dimensional distributions.     

Random version of Dvoretzky’s theorem in ℓpn

We study the dependence on $\epsilon$ in the critical dimension $k(n,p,\epsilon )$ for which one can find random sections of the ${?}_p^n$-ball which are $(1+\epsilon )$-spherical. We give lower (and upper) estimates for $k(n,p,\epsilon )$ for all eligible values $p$ and $\epsilon$ as $n\to \infty$, which agree with the sharp estimates for the extreme values $p=1$ and $p=\infty$. Toward this end, we provide tight bounds for the Gaussian concentration of the ${?}_p$-norm.     

Synthesis,Structure, and Magnetic Properties of a Random Bimetallic One‐dimensional CoII‐MnII Coordination Polymer with Mixed Azide‐carboxylate Bridges

The 3d–3d random bimetallic compound [Co_2.28Mn_0.72(N₃)₆(mpc‐3)₂(CH₃OH)₂] ( 1 ) (mpc‐3 = N‐methylpyridinium‐3‐carboxylate) was synthesized by partly substituting the Co^II ions in the homometallic compound by Mn^II. Complex 1 was structurally and magnetically characterized. It consists of one‐dimensional chains with the neighboring metal ions being linked alternatively by [(μ‐EO‐N₃)₂(μ‐COO)] (EO = end‐on) triple bridges and double EO azide bridges. Hydrogen‐bonding interactions and π–π interactions are involved in the formation of a three‐dimensional supramolecular network. Magnetic measurements revealed that complex 1 exhibits slow relaxation, which is similar to the homometallic Co^II parent compound whereas the T_B is lower than that of the Co^II analog.     

Large deviations from a macroscopic scaling limit for particle systems with Kac interaction and random potential

We consider a lattice gas in a periodic d-dimensional lattice of width γ⁻¹, γ>0, interacting via a Kac's type interaction, with range and strength γ^d, and under the influence of a random one body potential given by independent, bounded, random variables with translational invariant distribution. The system evolves through a conservative dynamics, i.e. particles jump to nearest neighbor empty sites, with rates satisfying detailed balance with respect to the equilibrium measures. In [M. Mourragui, E. Orlandi, E. Saada, Macroscopic evolution of particles systems with random field Kac interactions, Nonlinearity 16 (2003) 2123–2147] it has been shown that rescaling space as γ⁻¹ and time as γ⁻², in the limit γ→0, for dimensions d3, the macroscopic density profile ρ satisfies, a.s. with respect to the random field, a non-linear integral partial differential equation, having the diffusion matrix determined by the statistical properties of the external random field. Here we show an almost sure (with respect to the random field) large deviations principle for the empirical measures of such a process. The rate function, which depends on the statistical properties of the external random field, is lower semicontinuous and has compact level sets.     

Betti numbers of finitely presented groups and very rapidly growing functions

Define the length of a finite presentation of a group G as the sum of lengths of all relators plus the number of generators. How large can the kth Betti number b_k(G)= rank H_k(G) be providing that G has length ≤N and b_k(G) is finite? We prove that for every k≥3 the maximum b_k(N) of the kth Betti numbers of all such groups is an extremely rapidly growing function of N. It grows faster that all functions previously encountered in mathematics (outside of logic) including non-computable functions (at least those that are known to us). More formally, b_k grows as the third busy beaver function that measures the maximal productivity of Turing machines with ≤N states that use the oracle for the halting problem of Turing machines using the oracle for the halting problem of usual Turing machines.We also describe the fastest possible growth of a sequence of finite Betti numbers of a finitely presented group. In particular, it cannot grow as fast as the third busy beaver function but can grow faster than the second busy beaver function that measures the maximal productivity of Turing machines using an oracle for the halting problem for usual Turing machines. We describe a natural problem about Betti numbers of finitely presented groups such that its answer is expressed by a function that grows as the fifth busy beaver function.Also, we outline a construction of a finitely presented group all of whose homology groups are either or trivial such that its Betti numbers form a random binary sequence.