影响单摆实验的因素及改进方法

用单摆测定当地的重力加速度和单摆振动定律的验证,很容易做.下面谈谈影响单摆实验的几个因素及其解决方法.1 用单摆测定当地重力加速度 可见,g的测定主要取决于l和T.因此,为了提高实验的精度,在测量过程中必须注意以下几个方面.     

Reversible addition of ethylene to a pincer-based boryl-iridium unit with the formation of a bridging ethylidene

This report examines reactions of a series of Ir complexes supported by the diarylboryl/bis(phosphine) PBP pincer ligand with ethylene: (PBP)IrH₄ (1), (PBP)IrH₂(CO) (2), and (PBP)Ir(CO)₂ (3). The outcomes of these reactions differ from those typical for Ir complexes supported by other pincer ligands and do not give rise to simple ethylene adducts or products of insertion of Ir into the C–H bond of ethylene. Instead, the elements of ethylene are incorporated into the molecules to result in B–C bonds. In the case of 2 and 3, ethylene addition results in the formation of B/Ir bridging ethylidene complexes 5 and 6. For 6, the addition of ethylene (and the analogous addition of 1-hexene) is shown to be partially reversible. Addition of ethylene to 2 and 3 is remarkable because they are saturated at Ir and yet the net outcome is such that ethylene binds without replacing any ligands already present. A mechanistic inquiry suggests that dissociation of CO from 3 or 6 is necessary in order for the addition or loss of ethylene to proceed.

(PBP)Ir pincer complexes containing a boryl-iridium linkage reversibly bind ethylene as an ethylidene bridging B and Ir.     

基于苯乙烯和苯并噻二唑共聚场效应发光高分子材料的设计合成及性能研究

共轭高分子材料由于其优异的光电性能和可溶液加工等特性在有机光电器件中具有重要应用.本工作采用Stille偶联和Suzuki聚合反应,合成了两个由经典发光基元苯乙烯片段和共轭吸电子结构基元苯并噻二唑共聚的高分子材料聚(1,2-双(2,5-双(异辛氧基)亚苯基亚乙烯基-2,1,3-苯并噻二唑))(PVBT)和聚(1,2-双(2,5-双(正辛氧基)亚苯基亚乙烯基-2,1,3-苯并噻二唑))(nPVBT).通过凝胶渗透色谱(GPC)、元素分析及差式扫描量热法(DSC)对PVBT和n PVBT两种高分子材料的结构及热稳定性进行表征,结果表明它们均具有良好的热稳定性,分解温度约380℃.由于烷氧基链的存在,两个材料具有良好的溶解性及成膜加工性.PVBT和n PVBT均表现出优异的发光特性,最大发射波长在590～605nm范围,溶液下荧光量子产率为23%～35%,固态薄膜下量子产率为12%～20%.以这两个高分子材料薄膜作为活性层,所制备的顶栅-底接触型有机场效应晶体管器件显示出典型的p型电荷传输性能,空穴迁移率可达1.1×10^-4cm²·V^-1...     

Qualitative and quantitative determination of Atractylodes rhizome using ultra‐performance liquid chromatography coupled with linear ion trap–Orbitrap mass spectrometry with data‐dependent processing

A quick and effective workflow based on ultra‐performance liquid chromatography coupled with electron spray ionization and LTQ‐Orbitrap mass spectrometry (UPLC‐LTQ‐Orbitrap MS) was established for compositional analysis and screening of the characteristic compounds of three species of Atractylodes rhizome for quality evaluation. This technique was employed to determine the seven main components in Atractylodes rhizome samples. Ultimately, 78 constituents were identified; of these, seven characteristic compounds were selected for species discrimination, comprising atractylodin (63), atractylenolide I (43), atractylenolide II (49), atractylenolide III (53), atractylon (69), methyl‐atractylenolide II (54) and (4E,6E,12E)‐tetradecadecatriene‐8,10‐diyne‐1,3‐diacetate (59). The seven main compounds, including six characteristic compounds, were simultaneously determined in 29 batches of Atractylodes rhizome samples. Thus, the method validation showed acceptable results. Quantitative analysis showed significantly different contents of the seven main components among the three species of Atractylodes rhizome, which indicates possible distinctions in the pharmacological effects. This established method can simultaneously provide qualitative and quantitative results for compositional characterization of Atractylodes rhizomes and for quality control.     

Constructing spin-adiabatic states for the modeling of spin-crossing reactions. I. A shared-orbital implementation

In the modeling of spin-crossing reactions, it has become popular to directly explore the spin-adiabatic surfaces. Specifically, through constructing spin-adiabatic states from a two-state Hamiltonian (with spin-orbit coupling matrix elements) at each geometry, one can readily employ advanced geometry optimization algorithms to acquire a “transition state” structure, where the spin crossing occurs. In this work, we report the implementation of a fully-variational spin-adiabatic approach based on Kohn-Sham density functional theory spin states (sharing the same set of molecular orbitals) and the Breit-Pauli one-electron spin-orbit operator. For three model spin-crossing reactions (predissociation of N₂O, singlet-triplet conversion in CH₂, and CO addition to Fe(CO)₄), the spin-crossing points were obtained. Our results also indicated the Breit-Pauli one-electron spin-orbit coupling can vary significantly along the reaction pathway on the spin-adiabatic energy surface. On the other hand, due to the restriction that low-spin and high-spin states share the same set of molecular orbitals, the acquired spin-adiabatic energy surface shows a cusp (ie, a first-order discontinuity) at the crossing point, which prevents the use of standard geometry optimization algorithms to pinpoint the crossing point. An extension with this restriction removed is being developed to achieve the smoothness of spin-adiabatic surfaces.     

Direct Imaging of Atomically Dispersed Molybdenum that Enables Location of Aluminum in the Framework of Zeolite ZSM‐5

Integrated differential phase‐contrast scanning transmission electron microscopy (iDPC‐STEM) is capable of directly probing guest molecules in zeolites, owing to its sufficient and interpretable image contrast for both heavy and light elements under low‐dose conditions. This unique ability is demonstrated by imaging volatile organic compounds adsorbed in zeolite Silicalite‐1; iDPC‐STEM was then used to investigate molybdenum supported on various zeolites including Silicalite‐1, ZSM‐5, and mordenite. Isolated single‐Mo clusters were observed in the micropores of ZSM‐5, demonstrating the crucial role of framework Al in driving Mo atomically dispersed into the micropores. Importantly, the specific one‐to‐one Mo‐Al interaction makes it possible to locate Al atoms, that is, catalytic active sites, in the ZSM‐5 framework from the images, according to the positions of Mo atoms in the micropores.     

A Mini Review on the Functional Biomaterials Based on Poly(lactic acid) Stereocomplex

Poly(lactic acid) stereocomplex (sc-PLA) prevails over homo-poly(lactic acid)s in many aspects and showed great potential as biomaterials depending on its extraordinary biological, thermal, and mechanical properties. In the past few years, sc-PLA has gained tremendous attention as a new approach to the development of new types of functional biomaterials. This paper summarizes recent progress in the application of the concept of sc-PLA in the design and fabrication of stabilized nanoparticles and in situ gelling hydrogels for biomedical applications.     

中国生物医学超声联合学术年会(CUMB2019)在北京举行

2019年10月18日–20日,中国声学学会生物医学超声工程分会、中国生物医学工程学会医学超声分会与中国超声医学工程学会仪器工程开发专业委员会在北京联合主办了“2019年度中国生物医学超声联合学术年会”,同期共同举办的还有国际分子影像与微创治疗大会、国际肌肉骨骼及浅表器官超声研讨会和国际生物医学造影技术会议。     

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks

A sparse matrix multiplication scheme with multiatom blocks is reported, a tool that can be very useful for developing linear-scaling methods with atom-centered basis functions. Compared to conventional element-by-element sparse matrix multiplication schemes, efficiency is gained by the use of the highly optimized basic linear algebra subroutines (BLAS). However, some sparsity is lost in the multiatom blocking scheme because these matrix blocks will in general contain negligible elements. As a result, an optimal block size that minimizes the CPU time by balancing these two effects is recovered. In calculations on linear alkanes, polyglycines, estane polymers, and water clusters the optimal block size is found to be between 40 and 100 basis functions, where about 55-75% of the machine peak performance was achieved on an IBM RS6000 workstation. In these calculations, the blocked sparse matrix multiplications can be 10 times faster than a standard element-by-element sparse matrix package.     

An inertia-capacitance beam substructure formulation based on the bond graph method with application to rotating beams

In this paper, a novel inertia-capacitance (IC) beam substructure formulation based on the IC-field presentation from the bond graph method is developed. The IC beam provides a modular, systematic and graphical approach to beam modeling. These features allow the modeler to focus more on the modeling and less on the mathematics. As such, the IC beam is proposed as an alternative to the many existing types of beam models available in the literature. The IC beam is formulated in the center of mass body fixed coordinate system allowing for easy interfacing in a multibody system setting. This floating frame approach is also computationally cheap. Elastic deformations in the IC beam are assumed to be small and described by modal superposition. The formulation couples rigid body and elastic deformations in a nonlinear fashion. The formulation is also compact and efficient. Detailed derivations for a two-dimensional planar IC beam with bending modes are presented. A modal acceleration method based on the decoupling of bending modes is proposed for use in the IC beam. The rotating beam spin-up maneuver problem is solved. The Karnopp-Margolis method is applied to ensure complete integral causality for an efficient numerical system. Geometric substructuring technique is applied to model large deflections. The IC beam is shown to be capable of solving the rotating beam problem accurately and efficiently.