Using monoanionic forms of di-2-pyridyl ketone as the only primary ligand, triangular Ni(2)M (M = lanthanide, Y) complexes with interesting magnetic properties have been synthesized.

Two newly synthesized cyclopenta[a]phenanthrenes, namely the 1-methyl (VIII) and 7,11-dimethyl (VII) derivatives of the parent ketone 15,16-dihydrocyclopenta[a]phenanthren-17-one (I), have been tested for their capacity to produce skin tumors in mice. The former (VIII) is essentially inactive, whereas the latter (VII) is very potent in both repeated application and two-stage tests. X-ray crysta...

Selective reagent ionization time of flight mass spectrometry with NO(+) as the reagent ion (SRI-TOF-MS(NO(+))) in conjunction with gas chromatography (GC) and head-space solid-phase microextraction (HS-SPME) was used to determine selected volatile organic compounds in human urine. A total of 16 volatiles exhibiting high incidence rates were quantified in the urine of 19 healthy volunteers. Amo...

An novel diffusion reaction model for the determination of both the steady-state and transient-state behavior of biofilters for waste air biotreatment is developed and discussed. The model considers the reactor to comprise finite sections, for each of which transient mass balances are established and solved by digital simulation. The elimination of methyl ethyl ketone (MEK) and methyl isobutyl ...

Density functional theory (DFT) has been used to investigate the α-alkylation of a chiral tricyclic ketone. These calculations reveal that torsional strain and a strong conformational preference, rather than steric influences, are responsible for the high levels of observed stereoselectivity and suggest a way by which alternative stereoisomers could be accessed.

Biofuels may represent a promising alternative in terms of energy sustainability and emission control. Until recently, simple compounds including only a single specific functional group was in the focus of the biofuel research while reported data on more complex structures are scarcer. Presence of multiple functional groups can make molecules more attractive for oxidative species providing atta...

In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related mol-ecules are connected by pairs of C-H⋯O inter-actions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supra-molecular chain along the b axi...

Previous theoretical studies of Mislow's doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1) and inverse (2) conformational kinetic isotope effects (CKIEs). To broaden our investigation, we have used density functional methods to characterize the potential energy surfaces and vibrational frequencies for ground...

The title compound, C(15)H(19)ClO(3), is bent with a dihedral angle of 72.02 (9)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, mol-ecules related by inversion symmetry are connected by weak C-H⋯O inter-actions into infinite chains. These inter-actions involve H atoms from a methyl group of the dimethyl residue and the O ...