Search results for "Picene"
showing 7 items of 7 documents
A facile microsynthesis of 14C-labelled picene
1984
Microscale Wittig olefination of commercially available [7-14C]-benzal dehyde of high specific radioactivity with aryl bromomethyl phosphonium salt and subsequent oxidative photocyclisation affords pure 14C-labelled picene in efficient yield.
Comparative tumorigenicity of picene and dibenz[a,h]anthracene in the mouse
1990
The carcinogenic activity of the two polycyclic aromatic hydrocarbons (PAHs), picene (benzo[a]chrysene) and dibenz[a,h]anthracene (DBA), was determined in NMRI mice by five different experimental protocols in order to find out if picene is a carcinogen as predicted by recent quantum mechanical calculations in contrast to earlier observations which could not confirm any carcinogenic activity of picene. Single s.c. treatment of adult mice with picene or DBA (308 nmol/animal, each) led to the formation of fibrosarcomas in 63.3% of treated animals regardless of the PAH used. Chronic epicutaneous application of both PAHs (total dose 1.36 mumol) to the back of mice resulted in the development of …
Global surveillance of trends in cancer survival 2000-14 (concord-3): analysis of individual records for 37 513 025 patients diagnosed with one of 18…
2018
Eser, Sultan (Balikesir Author)
Crystal growth of new charge-transfer salts based on π-conjugated donor molecules
2016
Abstract New charge transfer crystals of π-conjugated, aromatic molecules (phenanthrene and picene) as donors were obtained by physical vapor transport. The melting behavior, optimization of crystal growth and the crystal structure are reported for charge transfer salts with (fluorinated) tetracyanoquinodimethane (TCNQ-Fx, x=0, 2, 4), which was used as acceptor material. The crystal structures were determined by single-crystal X-ray diffraction. Growth conditions for different vapor pressures in closed ampules were applied and the effect of these starting conditions for crystal size and quality is reported. The process of charge transfer was investigated by geometrical analysis of the cryst…
OH-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory
2011
The structures of ideal armchair (5,5) single-wall carbon nanotubes (SWCNTs) of different lengths (3.7, 8.8, and 16.0 A for C40H20, C80H20, and C140H20) and with 1–10 hydroxyl groups at the end of the nanotube were fully optimized at the B3LYP/3-21G level, and in some cases at the B3LYP/6-31G* level, and the energy associated with the attachment of the OH substituent was determined. The OH-group attachment energy was compared with the OH functionalization of phenanthrene and picene models and with previous results for zigzag (9.0) SWCNT systems. In comparison to zigzag SWCNTs, the armchair form is more (by about 5 to 10 kcal mol−1) reactive toward hydroxylation. Figure The structures of ide…
CCDC 1448362: Experimental Crystal Structure Determination
2016
Related Article: Antonia Morherr, Sebastian Witt, Alisa Chernenkaya, Jan-Peter Bäcker, Gerd Schönhense, Michael Bolte, Cornelius Krellner|2016|Physica B: Condensed Matter(Amsterdam)|496|98|doi:10.1016/j.physb.2016.05.023
CCDC 1448363: Experimental Crystal Structure Determination
2016
Related Article: Antonia Morherr, Sebastian Witt, Alisa Chernenkaya, Jan-Peter Bäcker, Gerd Schönhense, Michael Bolte, Cornelius Krellner|2016|Physica B: Condensed Matter(Amsterdam)|496|98|doi:10.1016/j.physb.2016.05.023