Perpendicular Emission, Dichroism, and Energy Dependence in Angle-Resolved Photoemission: The Importance of The Final State.

Angle-resolved photoemission spectroscopy has been developed to a very high accuracy. However, effects that depend sensitively on the state of the emitted photoelectron were so far hard to compute for real molecules. We here show that the real-time propagation approach to time-dependent density functional theory allows us to obtain final-state effects consistently from first principles and with an accuracy that allows for the interpretation of experimental data. In a combined theoretical and experimental study we demonstrate that the approach captures three hallmark effects that are beyond the final-state plane-wave approximation: emission perpendicular to the light polarization, circular dichroism in the photoelectron angular distribution, and a pronounced energy dependence of the photoemission intensity.

Electron-Vibration Coupling in Molecular Materials: Assignment of Vibronic Modes from Photoelectron Momentum Mapping.

Electron-phonon coupling is one of the most fundamental effects in condensed matter physics. We here demonstrate that photoelectron momentum mapping can reveal and visualize the coupling between specific vibrational modes and electronic excitations. When imaging molecular orbitals with high energy resolution, the intensity patterns of photoelectrons of the vibronic sidebands of molecular states show characteristic changes due to the distortion of the molecular frame in the vibronically excited state. By comparison to simulations, an assignment of specific vibronic modes is possible, thus providing unique information on the coupling between electronic and vibronic excitation.

Orbital density reconstruction for molecules.

The experimental imaging of electronic orbitals has allowed one to gain a fascinating picture of quantum effects. We here show that the energetically high-lying orbitals that are accessible to experimental visualization in general differ, depending on which approach is used to calculate the orbitals. Therefore, orbital imaging faces the fundamental question of which orbitals are the ones that are visualized. Combining angular-resolved photoemission experiments with first-principles calculations, we show that the orbitals from self-interaction-free Kohn-Sham density functional theory are the ones best suited for the orbital-based interpretation of photoemission.

A phase I study of moderate-dose radiation therapy and weekly gemcitabine in patients with locally advanced non-small cell lung cancer not suitable for radical chemoradiation therapy.

AIMS: To describe the toxicity and response seen in patients receiving moderate-dose radiation therapy with concurrent weekly low-dose gemcitabine in the management of locally advanced non-small cell lung cancer (NSCLC). MATERIALS AND METHODS: Eighteen patients with confirmed NSCLC were enrolled over a 17-month period from August 2000 until January 2002. All had localised disease but were considered unsuitable for curative therapy. Radiation therapy was given to a dose of 30 Gy in 15 fractions over 3 weeks. Gemcitabine was given weekly before and within 3 h of fractions 1, 6 and 11. The study was designed as a dose-escalation study, commencing at 100 mg/m2 and increasing at levels of 50 mg/m2, until the maximum tolerated dose (MTD) was reached. RESULTS: The MTD was regarded as being 150 mg/m2. The major acute toxicity observed was oesophagitis. Skin reactions were also reported. The overall response rate in all patients was 88%, with 44% achieving a complete response. CONCLUSION: The combination of gemcitabine and moderate-dose radiation therapy is feasible, and offers low toxicity and excellent response rates in patients with localised NSCLC not suitable for high-dose therapy.

Inhalation of fenoterol (Berotec) by asthmatic children: A clinical comparison with salbutamol, orciprenaline and isoprenaline.

Fenoterol (Berotec) has been administered by inhalation, via a Bennett nebulizer, to symptom-free asthmatic children aged 6 to 14 years. The effects of treatment on the results of respiratory function tests, pulse rate and blood pressure were followed. The effects of fenoterol have been compared with those of placebo, salbutamol, orciprenaline and isoprenaline. Inhalation of 1 mg of fenoterol produced effective bronchodilatation, which was more than a placebo effect and was comparable with the responses achieved with other known effective bronchodilators given by inhalation. It produced only a minor increase in heart rate at this dose level.