We have investigated the electronic ground-state structure and binding mode of CH2N2 by ab initio multireference perturbation calculations CASPT2 and CASPT3, using correlation consistent cc-pVTZ basis sets. Our calculations suggest that the CH2-N2 binding between the CH2 (ãA1) and N2 (XΣg) moieties consists of a “harpooning” σ, bond from N2 to CH2 and a π-like bond due to the back-transfer of e...

The thesis describes the development of new and improved methods for analyzing degradation markers from organophosphorus Chemical Warfare Agents (CWAs). Paper I and II describes an innovative and significantly improved method for the enrichment, derivatization (trimethysilylation) and GC-MS analysis of a broad range of organophosphorus CWAs degradation markers, namely the alkylphosphonic acids ...

Vibronic transitions to the 21A2(3py <-- pi) Rydberg state of CH2N2, CD2N2, and CHDN2 were recorded by 2 + 1 REMPI spectroscopy, and kinetic energy distributions (eKE) of photoelectrons from ionization of selected vibronic levels were determined by velocity map imaging. Normal-mode frequencies were obtained for the 21A2(3py) Rydberg state and for the cation. Mixed levels of the 21A2(3py) and 21...

The beta 2-adrenergic receptors of the human epidermoid carcinoma A431 cells reside on two polypeptide chains revealed by photoaffinity labelling with [125I]iodocyanopindolol-diazirine. These proteins correspond to two distinct populations of N-asparagine-linked glycoproteins: the 55-52 kDa molecules are associated with complex carbohydrate chain(s), the 65-63 kDa component with polymannosidic ...

A gas-liquid chromatographic procedure has been developed for measuring methyiphenidate and its metabolite, ritalinic acid, in urine. The unchanged drug is extracted into chloroform from alkalinized urine together with an internal standard, diphenhydramine. The solvent is removed, the residue dissolved in ethanol, and aliquots are injected into a gas-chromatographic Column containing 3% OV-1 7....

We describe the detailed structural investigation of nidogen-1/laminin γ1 complexes using full-length nidogen-1 and a number of laminin γ1 variants. The interactions of nidogen-1 with laminin variants γ1 LEb2-4, γ1 LEb2-4 N836D, γ1 short arm, and γ1 short arm N836D were investigated by applying a combination of (photo-)chemical cross-linking, high-resolution mass spectrometry, and computational...