Spectroscopic studies of a BINAM-based sensor: Highly selective fluorescent recognition of lysine in water solution through a nucleophilic substitution reaction

A BINAM-based compound (R)-1 is found to show significant fluorescence enhancement in the presence of Lys in aqueous solution (1%DMF). This probe achieves highly selective fluorescent recognition of Lys even in the presence of other natural amino acids. It can be used as a sensitive as well as selective fluorescent probe for Lys. The mechanism for the interaction of (R)-1 with Lys was studied by NMR and HRMS.     

Reactions of 2‐Aryl‐1,3‐Dithianes and [1.1.1]Propellane

Bicyclo[1.1.1]pentanes (BCPs) have sparked the interest of medicinal chemists due to their recent discovery as bioisosteres of aromatic rings. To study the biological activity of this relatively new class of bioisosteres, reliable methods to incorporate BCPs into target molecules are in high demand, as reflected by a flurry of methods for BCP synthesis in recent years. In this work, we disclose a general method for the synthesis of BCP‐containing dithianes which, upon deprotection, provide access to BCP analogues of medicinally abundant diarylketones. A broad scope of 2‐aryl‐1,3‐dithianes, including several heterocyclic derivatives, react with [1.1.1]propellane to afford 26 new derivatives in good to excellent yields. Further transformation of the dithiane portion into a variety of functional groups demonstrates the robustness of the products. A computational study indicates that the reaction of 2‐aryl‐1,3‐dithianes and [1.1.1]propellane proceeds via a two‐electron pathway.     

Influence of water on HFO-1234yf oxidation pyrolysis via ReaxFF molecular dynamics simulation

ABSTRACT

The effect of water molecules on HFO-1234yf oxidation pyrolysis was investigated by ReaxFF-molecular dynamics simulation from 1900 to 4200?K. The initial pyrolysis of HFO-1234yf starts around 2500?K and the water molecules participate in chemical reactions at 2800?K when the reactants pyrolysis reached the highest reaction rate. The primary products including HF, COF₂ and CO₂ are observed at 2600, 2700 and 2900?K, respectively. The influence of water molecules on products is mainly reflected in the promotion activity on the conversion from COF₂ to CO₂ and the generation of HF molecules. Four formation pathways are observed and calculated to further elucidate the procedure of pyrolysis. The main conversion process from H₂O to HF is the ?F?+?H₂O?=?HF+?OH reaction, and the paths from H₂O to ?OH radical and COF₂ to ?CFO radical which are promoted by ?F and ?H radical, respectively, have relatively low energy barriers of 10.44 and 40.29?kJ/mol, and both reaction processes released HF molecules.     

Structure,Electronic, and Mechanical Properties of Three Fully Hydrogenation h-BN:Theoretical Investigations

The structural, electronic, elastic, mechanical properties and stress-strain relationship of chair, boat, and stirrup conformers of fully hydrogenated h-BN(fh-BN) are investigated in this work using the Perdew-Burke-Ernzerhof(PBE) function in the frame of density functional theory. The achieved results for the lattice parameters and band gaps of three conformers in this research are in good accordance with other theoretical results. The band structures of three conformers show that the chair, boat, and stirrup are direct band gap with a band gaps of(3.12, 4.95, and4.95 e V), respectively. To regulate the band structures of fh-BN, we employ a hybrid functional of Heyd-ScuseriaErnzerhof(HSE06) calculations and the band gaps are 3.84(chair), 6.12(boat), and 6.18 e V(stirrup), respectively.The boat and stirrup fh-BN exhibits varying degrees of mechanical anisotropic properties with respect to the Young's modulus and Poisson's ratio, while the chair fh-BN exhibits the mechanical isotropic properties. Furthermore, tensile strains are applied in the armchair and zigzag directions related to tensile deformation of zigzag and armchair nanotubes,respectively. We find that the ultimate strains in zigzag and armchair deformations in stirrup conformer are 0.34 and0.25, respectively, larger than the strains of zigzag(0.29) and armchair(0.18) deformations in h-BN although h-BN can surstain a surface tension up to the maximum stresses higher than those of three conformers of fh-BN. Furthermore, the band gap energies in three conformers can be modulated effectively with the biaxial tensile strain.     

窄线宽脉冲光纤激光的自相位调制预补偿研究

自相位调制(SPM)效应会展宽窄线宽脉冲光纤激光的光谱宽度,降低其相干性.通过相位调制对SPM引起的非线性相移进行预补偿,能够使脉冲激光在光纤中进行放大和传输后保持种子激光的光谱特性.基于三波耦合方程开展数值仿真,研究了在对SPM进行"欠补偿","完全补偿"和"过补偿"的情况下,SPM预补偿对受激布里渊散射阈值和激光光谱特性的影响.开展了SPM预补偿实验研究,将脉冲激光的光谱宽度从1.4 GHz压缩到120 MHz.研究内容可以为窄线宽脉冲光纤激光系统的设计搭建提供参考.     

石墨烯与金属的欧姆接触理论研究

石墨烯材料应用于多种电子器件时不可避免地要与金属电极接触,它们之间的接触电阻直接影响了器件的性能.为了揭示影响金属电极与石墨烯间接触电阻的因素,提出有效地抑制这些影响的措施,本文建立了一种求解接触电阻的物理模型,将载流子的输运分为金属与正下方石墨烯之间、正下方石墨烯与邻近石墨烯之间的两个过程,分别研究各个过程的输运概率;结合金属电极与石墨烯接触对载流子分布的影响分析接触电阻,据此分别探讨了金属电极材料、栅极电压、掺杂浓度、金属与石墨烯原子距离等对接触电阻的影响.为验证理论分析结果的正确性,制作了金与石墨烯接触的实验样品,实验测得的接触电阻与理论分析结果符合.理论分析结果表明,可通过选择与石墨烯功函数接近的金属材料,降低二氧化硅层厚度,增加载流子平均自由程,改进金属材料的表面形态使其更光滑,减小金属与石墨烯耦合长度等方法降低石墨烯与金属电极的接触电阻.     

The giant Stark effect in armchair-edge phosphorene nanoribbons under a transverse electric field

We study the variation of electronic properties for armchair-edge phosphorene nanoribbons (APNRs) modulated by a transverse electric field. Within the tight-binding model Hamiltonian, and by solving the differential Schrödinger equation, we find that a band gap closure appears at the critical field due to the giant Stark effect for an APNR. The gap closure has no field polarity, and the gap varies quadratically for small fields but becomes linear for larger ones. We attribute the giant Stark effect to the broken edge degeneracy, i.e., the charge redistributions of the conduction band minimum and valence band maximum states localized at opposite edges induced by the field. By combined with the Green's function approach, it is shown that in the presence of the critical field a gap of density of states (DOS) disappears and a high value DOS turns up at the energy position of the band gap closure. Finally, as the field increases, we find the band gap decreases more rapidly and the gap closure occurs at smaller fields for wider ribbons. Both the band gap and DOS variations with the field show an insulator-metal transition induced by a transverse electric field for the APNR. Our results show that wider APNRs are more appreciable to design field-effect transistors.     

A highly selective fluorescent chemosensor for Cu2+ based on a diarylethene with a 2,1,3‐benzoxadiazole unit

A novel photochromic diarylethene containing a 2,1,3‐benzoxadiazole structure has been synthesized and its multicontrollable fluorescence properties have been systematically studied by the stimulation of light and metal ions. The compound exhibited favorable photochromism and fluorescent switching properties. Furthermore, it can serve as a fluorescent chemosensor for highly selective recognition of Cu²⁺ in aqueous acetonitrile. When triggered by Cu²⁺, it displayed a remarkable blue shift from 594 to 524 nm (70 nm) with a significant fluorescence color change from yellow to bright green. As a result, a logic circuit has also been constructed on the basis of light and chemical stimulation.     

多抖动法主振荡功率放大器相干合成技术

 采用多抖动相位控制方法实现了两路和三路1 Ｗ量级光纤放大器的相干合成,对实验结果进行了详细分析。实验中,将种子光源输出激光分为两路（或三路）,分别通过光纤放大器进行功率放大,并采用多抖动法实现相干合成。控制系统开环时,远场光斑条纹模糊不清,两路和三路合成时条纹对比度分别为0.19和0.12;系统闭环时,远场光斑条纹清晰可见,对比度提高到0.93和0.81,合成效率分别为80%和77%。此外,对两路和三路的合成效果进行了比较,指出了各路的控制资源对合成效果的影响。     

强泵浦条件下光纤放大器相位噪声的测量

 利用多抖动法对强泵浦条件下光纤放大器引入的相位噪声进行了测量。利用功率谱、积分谱对具体泵浦条件下的相位噪声特性进行定性分析,结果表明,泵浦功率越大,高频成分占的比例越大。利用结构函数定量分析相位噪声的变化特性,得出相位噪声控制系统的带宽需求指标。实验测得在71,181和230 W泵浦条件下,所需相位控制系统带宽最小值分别为830 Hz,3.1 kHz和10 kHz。