Is a molecular orbital measurable by means of tomographic imaging?

Interpretation of experiments involving use of vacuum ultraviolet radiation to effect ionization of N₂ in terms of measurements of a molecular orbital is erroneous.     

News Release

The forms of the dependences on the vibrational and rotational quantum numbers in the series representation of the vibration-rotational energies of diatomic molecules are discussed. It is concluded that the most convenient forms for diatomic molecules in ^lσ electronic states are (v+1/2) and (J+1/2)² respectively.     

Derivation,properties and application of Coulomb Sturmians defined in spheroidal coordinates

Coulomb Sturmian amplitude functions are derived in prolate spheroidal coordinates and are presented in a closed algebraic form. Spheroidal Sturnian functions are revealed to be related to the polynomial solutions of Heun's confluent equation. A reduction of symmetry from spherical to axial leads to the coupling of spherical polar orbitals and the formation of hybrid orbitals. The contribution of each spherical orbital into a hybrid orbital depends strongly on distance R from a nucleus to the dummy centre, and substantially alters when R varies. At two limiting cases R = 0 and R → ∞ spheroidal Sturmians are purely atomic orbitals, whereas at intermediate R they contain many features intrinsic to diatomic molecular orbitals. Applications of spheroidal Sturmian basis are discussed; Coulomb spheroidal Sturmians are asserted to be the most appropriate basis functions for diatomic molecular calculations.     

光谱图像技术结合SAM算法识别自然场景下的成熟柑橘

为了实现采摘机器人在复杂的自然场景下正确识别树上果实,来完成果实采摘,研究了不同环境下柑橘的识别方法.针对复杂的自然环境的影响及传统方法的局限性,在可见光和近红外区域择选5个特征波长滤波片,采集得到5幅滤波后的图像,并利用光谱角分类算法完成柑橘识别.试验结果表明,在光照角度、光照强度等不同条件下,柑橘的识别准确度达到96%.研究表明,滤波片光谱图像技术结合光谱角分类算法可以有效地识别自然场景下的成熟柑橘.     

The effect of topical anesthesia on vocal fold motion

The objective of this study was to determine if topical anesthesia to the larynx and pharynx affects vocal fold motion during dynamic voice evaluation with transnasal flexible endoscopy. Transnasal dynamic laryngeal examinations of 10 patients with no voice complaints were evaluated by five blinded fellowship-trained laryngologists. Each patient was examined before and after application of topical anesthetic. Reviewers rated briskness of right and left vocal fold movement and longitudinal tension on a visual analogue scale. Statistical comparisons were made between individual subject scores before and after anesthetic application. Inter-rater reliability was also assessed. No statistical difference was observed between subject scores before and after anesthetic application. Average intraclass correlation coefficients were 0.643 and 0.591 for pre- and postanesthesia scores, respectively. Application of topical anesthesia to the larynx and pharynx does not affect vocal fold motion.     

等离子体边界层扩散时间演化的稳定性与突变 *

解析分析了外界控制下等离子体边界层扩散过程时间演化的稳定性与突变条件,并将这些条件应用于JFT-2M Tokamak,结果表明,一阶共振下粒子注入或(和)外加电场的无量纲幅值(ε₁或(和)ε₂)满足一定条件时系统处于稳定状态;二阶共振下当ε₁或(和)ε₂等于某值时系统会发生突变,从低约束态跃迁至高约束态.     

Determining a 'safe' high-mass limit in matrix-assisted laser desorption/ionisation time-of-flight mass spectra of coal derived materials with reference to instrument noise

Three methods for determining a 'safe' estimate for high-mass limits of MALDI spectra of coal derived liquids were explored, using a sample of coal-tar pitch and its pyridine-insoluble fraction. Co-addition of increasing numbers of single-shot spectra (10, 30, 50 and 100 pulses) showed visually observable reductions in noise levels, consistent with robust and statistically meaningful signals. Three separate types of post-acquisition calculation were used to identify high-mass limits of the spectra. (i) A literature method indicated high-mass limits similar to those observed visually-as a shift from baseline at the highest masses, nearly 350 000 u for the coal tar pitch and about 390 000 u for its pyridine insoluble fraction. (ii) Comparing instrument signal with pre-selected multiples of the standard deviation, upper mass estimates of between 40-60 000 u for the coal-tar pitch and about 95 000 u for its pyridine-insoluble fraction were found. (iii) Calculation of the slope was used to identify 'lift-off' of the spectrum from baseline. The angle between the smoothed spectrum and the baseline was matched to a pre-selected value (e.g. 0.5 degrees and 1 degrees ). However, the arbitrary specification of the key parameter did not establish this last method on a firm basis. The choice of a criterion for estimating high-mass limits of MALDI spectra remains a semi-quantitative procedure; a reasonably conservative high-mass limit may be estimated by comparison of signal with five times the standard deviation. However, evaluation of size exclusion chromatograms of the present samples using polystyrene standards suggests that molecular mass distributions of pitch samples arrived at by MALDI mass spectrometry are, at least partly, determined by the limitations of available instruments. Copyright 1999 John Wiley & Sons, Ltd.     

Facile synthesis of isocampholenic acids by the rearrangement of camphor derivatives

A variety of substituted isocampholenic acid derivatives were prepared by rearrangement of the camphor skeleton of a variety of tertiary alcohols derived from ketopinic acid. The reaction was highly reliable and retained the stereochemical information from the camphor scaffold. This rearrangement represents an efficient way to prepare synthetically useful isocampholenic acids. Mechanistic experiments show that a short-lived carbocation is implicated in the reaction.