Carbon-13 nuclear magnetic resonance spectra of anti-inflammatory drugs: Phenylbutazone,oxyphenbutazone and indomethacin

The ¹³C nmr chemical shifts of phenylbutazone, oxyphenbutazone, indomethacin and indole-3-acetic acid are reported. The assignments of various carbon resonances are made on the basis of the substitution effects on benzene shifts, multiplicities generated in SFORD spectra, nuclear overhauser enhancement for protonated carbons, and the comparison with analogous compounds.     

The lowest electronic states of Ne2 +, Ar2 + and Kr2 +: comparison of theory and experiment

Non-relativistic configuration interaction (CI) ab initio calculations using large basis sets have been carried out to determine the potential curves of the first electronic states of Ne₂ ⁺, Ar₂ ⁺ and Kr₂ ⁺. The spin—orbit interaction was treated assuming that the spin—orbit coupling constant is independent of the internuclear separation (R). For Ar₂ ⁺, calculated dissociation energies and equilibrium separations are in good agreement with experimental results. The calculations for Ne₂ ⁺ suggest that the lowest vibrational level of the I(1/2u) ground state observed by threshold photoelectron spectroscopy by Hall et al. [1995, J. Phys. B: At. molec. opt. Phys., 28, 2435] and assigned to either ν = 0 or ν = 2 actually corresponds to ν = 4. The calculations also predict the I(1/2g) state of Ne₂ ⁺ and Ar₂ ⁺ to possess a double-well potential and that of Kr₂ ⁺ to be repulsive at short range and to only possess a single shallow well at large internuclear separation. The ab initio calculations provide an explanation for the observation made by Yoshii et al. [2002, J. chem. Phys., 117, 1517] that Kr₂ ⁺ and Xe₂ ⁺ dissociate after photoemission from the II(1/2u) state to the I(1/2g) state whereas Ar₂ ⁺ does not.     

N_2和O_2纯转动拉曼光谱(PRRS)的温度特性

计算了N2 和O2 的PRRS ,讨论了其温度特性。提出通过测量N2 和O2 的PRRS计算大气温度的方法。     

用于增强现实的头盔显示器的设计

穿透式双通道头盔显示器 (HMD)是增强现实系统中的关键部件。本文给出了一种新颖的穿透式双通道头盔显示器的设计方案 ,使得当在用于增强现实系统中时 ,能够获得更大的透过率 ,以获得清晰的外部世界与内部产生的场景信息。同时通过成功的光学设计 ,获得了大视场、高分辨率的光学系统     

若丹明B荧光增强二硫化碳高阶受激喇曼散射

 利用若丹明B乙醇溶液的荧光改变了二硫化碳的一至三阶Stokes喇曼谱线的强度分布,选择性地增强了三阶Stokes喇曼谱线。在泵浦功率密度为~560MW^.cm^-2时,对染料摩尔浓度分别为~10^-5、cm^-5散射池和~10^-4、1cm散射池进行实验,观察到二硫化碳的三阶Stokes喇曼谱线与染料激光形成的共振增强现象及、二阶Stokes喇曼谱线的部分或完全耗尽。     

Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow

Molecular Diversity - The latest global outbreak of 2019 respiratory coronavirus disease (COVID-19) is triggered by the inception of novel coronavirus SARS-CoV2. If recent events are of any...     

大视角两步彩虹全息术

本文巧妙地运用了全息图的光路可逆性,采用两面反射镜与小面积全息图相结合,制得了视场角接近180°的大视角彩虹全息图.整个过程分两步完成,无需任何特殊的光学元件.文中给出了实验结果,并进行了讨论.     

丙三醇溶液声致发光中的黑体辐射谱

利用U型管圆锥泡声致发光装置,测量到了丙三醇溶液中圆锥泡声致发光的光谱和光脉冲。结果表明,测量得到的发光光谱为光滑的连续谱,且与理论模拟得到的黑体辐射谱相吻合,拟合温度分布于2 600～3 500 K范围内。文章从空间和时间两方面分析了圆锥泡空化发光中存在黑体辐射的原因：较大的气泡体积(气泡塌缩半径为1.4 cm)与较长的发光时间(几十微秒)。另外,实验研究表明随着发光波长的增长,光脉冲宽度变宽,从而进一步证明了圆锥泡声致发光中的黑体辐射机制。最后,利用测量得到的发光光谱和脉冲计算得到了发光光强为0.18 J,远远高于其他方式得到的声致发光光强。     

铝球弹丸高速正撞击薄铝板穿孔研究

 低地球轨道上的航天器易受到微流星体及空间碎片的超高速撞击，导致其严重的损伤甚至灾难性的失效。撞击损伤特性研究是航天器防护设计的一个重要问题。通过铝球弹丸超高速正撞击薄铝板的实验研究和数值模拟，证明了AUTODYN-2D软件数值模拟预测薄铝板超高速撞击穿孔直径的有效性。通过对弹丸直径、弹丸撞击速度和薄铝板厚度影响薄铝板超高速撞击穿孔直径的数值模拟，以及利用实验结果和数值模拟结果拟合的曲线，得到了铝球弹丸超高速撞击薄铝板的穿孔规律以及影响薄铝板超高速撞击穿孔直径的主要因素。