A set of chemical reactions is proposed to account for the formation of pantothenic acid derivatives from a primeval atmosphere composed of ammonia, formaldehyde, propyne, ethyne, hydrogen sulfide, hydrogen and water. Three precursor molecules are initially formed; a di-adduct of propyne and the catalyst Mg.porphin, azetidine2one, and 2-amino ethyl mercaptan. These then react sequentially to fo...

Low-energy collisions of ionized acetone-d, , DMSO-d, and pyridine-d, with alkanethiolate self-assembled monolayer (SAM) surfaces prepared on gold were investigated. These experiments can be used to monitor routinely the condition of the surfaces and to determine whether a surface is acceptable for a given application. In addition to the surface-induced dissociation of the molecular ions, inten...

Dichloroboryldisilylamines [SiClm(CH3)3−m]N[Si(CH3)3](BCl2) (m = 1 – 3) as well as chloromethylboryl-bis-(chlorodimethylsilyl)amine [SiCl(CH3)2]2N[BCl(CH3)] form 1 : 1 adducts with pyridine (1 – 4). Those with m = 2 and 3 have been converted into functionalized diazadiboretidine derivatives which are still coordinated by pyridine: [(SiClm(CH3)3−m)NBCl · Py]2 (5: m = 2, 6: m = 3). Single-crystal...

This report was prepared as an account of work sponsore by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or repres...

The generation of superoxide anion or hydroxyl radical derived from the organic selenium compounds selenomethionine, selenoethionine, selenocystine, selenocystamine and selenocysteine-glutathione selenenyl sulfide (CySeSG) was investigated by the electron spin resonance (ESR) technique with 5,5-dimethyl-1-pyrroline Noxide (DMPO) as a spin trapping agent. The intensity of ESR signals of DMPO-OOH...

Metabolomics frequently relies on the use of high resolution mass spectrometry data. Classification and filtering of this data remain a challenging task due to the plethora of complex mass spectral artefacts, chemical noise, adducts and fragmentation that occur during ionisation and analysis. Additionally, the relationships between detected compounds can provide a wealth of information about th...

Treatment of boryllithium (THF)2Li[B(NDippCH)2] (Dipp = 2,6-diisopropylphenyl) with various amounts of AlMe3 or GaMe3 leads to the formation of inter group 13 compounds. Equimolar reactions result in ate complexes of the type (THF)nLi(Me3M)[B(NDippCH)2] (M = Al, Ga) with discrete (n = 2, 3) or eight-membered ring structures (n = 1). We reported previously that use of excessive amounts of group ...

Sulfamethoxazole (SMX) and dapsone (4,4 -diaminodiphenylsulfone, DDS) are believed to mediate their adverse effects subsequent to bioactivation to their respective arylhydroxylamine and arylnitroso metabolites, resulting in covalent adduct formation with intracellular proteins. Various bioactivating enzymes, such as cytochromes P450 and myeloperoxidase, have been shown to be capable of catalyzi...

Bis(2-hydroxyethylthio)alkanes and bis(2-hydroxyethylthioalkyl)ethers are important biological and environmental degradation products of sulfur mustard analogs known as sesqui- and oxy-mustards. We used atmospheric pressure chemical ionization mass spectrometry (APCI MS) to acquire characteristic spectra of these compounds in positive and negative ionization modes. Positive APCI mass spectra ex...

The analysis of organometallic compounds with mass spectrometry has some special features in comparison with organic and bioorganic compounds. The first step is the choice of a suitable ionization technique, where the electrospray ionization is certainly the best possibility for most classes of organometallic compounds and metal complexes. Some ionization mechanisms of organometallic compounds ...