Centre for Free Radical Chemistry and Biotechnology

Nitrosonium-Mediated Phenol-Arene Cross-Coupling Involving Direct C-H Activation

A Eisenhofer, U Wille, B König

2017-01-01

The nitrosonium ion (NO⁺) is a highly versatile nitration and nitrosation reagent, as well as a strong one-electron oxi..

Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study

MB Prendergast, BB Kirk, JD Savee, DL Osborn, CA Taatjes, KS Masters, SJ Blanksby, G Da Silva, AJ Trevitt

2016-01-01

Gas-phase product detection studies of o-hydroxyphenyl radical and O<inf>2</inf> are reported at 373, 500, and 600 K, at 4 Torr (5..

What Are the Potential Sites of Protein Arylation by N-Acetyl-p-benzoquinone Imine (NAPQI)?

MG Leeming, LF Gamon, U Wille, WA Donald, RAJ O'Hair

2015-11-02

Acetaminophen (paracetamol, APAP) is a safe and widely used analgesic medication when taken at therapeutic doses. However, APAP ca..

Gas-phase fragmentation of deprotonated tryptophan and its clusters [Trpn-H]- induced by different activation methods

L Feketeová, GN Khairallah, RAJ O'Hair, SB Nielsen

2015-08-15

Rationale Non-covalent amino acid clusters are the subject of intense research in diverse areas including peptide bond formation s..

The effects of intramolecular hydrogen bonding on the reactivity of phenoxyl radicals in model systems

M Lesslie, A Piatkivskyi, J Lawler, TR Helgren, S Osburn, RAJ O'Hair, V Ryzhov

2015-06-28

The effects of hydrogen bonding and spin density at the oxygen atom on the gas-phase reactivity of phenoxyl radicals were investig..

Gas-phase reactions of the rhenium oxide anions, [ReOx]-(x = 2-4) with the neutral organic substrates methane, ethene, methanol and acetic acid

V Canale, A Zavras, GN Khairallah, N D'Alessandro, RAJ O'Hair

2015-06-09

The ion-molecule reactions of the rhenium oxide anions, [ReO<inf>x</inf>]- (x = 2-4) with the organic substrates methane, ethene, ..

Decomposition of nitroimidazole ions: Experiment and theory

L Feketeová, J Postler, A Zavras, P Scheier, S Denifl, RAJ O'Hair

2015-05-21

Nitroimidazoles are important compounds with chemotherapeutic applications as antibacterial drugs or as radiosensitizers in radiot..

Gas-phase structure and reactivity of the keto tautomer of the deoxyguanosine radical cation

L Feketeová, B Chan, GN Khairallah, V Steinmetz, P Maître, L Radom, RAJ O'Hair

2015-04-20

Guanine radical cations are formed upon oxidation of DNA. Deoxyguanosine (dG) is used as a model, and the gas-phase infrared (IR) ..

Visible light photooxidation of nitrate: The dawn of a nocturnal radical

T Hering, T Slanina, A Hancock, U Wille, B König

2015-04-18

Highly oxidizing nitrate radicals (NO<inf>3</inf>^•) are easily accessed from readily available nitrate salts by visible..

The role of peroxyl radicals in polyester degradation-a mass spectrometric product and kinetic study using the distonic radical ion approach

BD Gervasoni, GN Khairallah, RAJ O'Hair, U Wille

2015-04-14

Mass spectrometric techniques were used to obtain detailed insight into the reactions of peroxyl radicals with model systems of (d..

Gas-phase studies of metal catalyzed decarboxylative cross-coupling reactions of esters

RAJ O'Hair

2015-04-01

Metal-catalyzed decarboxylative coupling reactions of esters offer new opportunities for formation of C-C bonds with CO<inf>2</inf..

Gas-phase VUV photoionisation and photofragmentation of the silver deuteride nanocluster [Ag10D8L6]2 (L = bis(diphenylphosphino)methane). A joint experimental and theoretical study

S Daly, M Krstić, A Giuliani, R Antoine, L Nahon, A Zavras, GN Khairallah, V Bonačić-Koutecký, P Dugourd, RAJ O'Hair

2015-03-20

The bis(diphenylphosphino)methane (L = Ph<inf>2</inf>PCH<inf>2</inf>PPh<inf>2</inf>) ligated silver deuteride nanocluster dication..

Formation of sugar radical cations from collision-induced dissociation of non-covalent complexes with S-nitroso thiyl radical precursors

S Osburn, SJ Williams, RAJ O'Hair

2015-02-15

Abstract A 'bio-inspired' method has been developed for generating sugar radical cations by multistage mass spectrometry (MS<sup>4..

Formation and characterisation of the silver hydride nanocluster cation [Ag3H2((Ph2P)2CH2)] and its release of hydrogen

M Girod, M Krstić, R Antoine, L MacAleese, J Lemoine, A Zavras, GN Khairallah, V Bonacic-Koutecky, P Dugourd, RAJ O'Hair

2014-12-08

Multistage mass spectrometry and density functional theory (DFT) were used to characterise the small silver hydride nanocluster, [..

Mobile proton triggered radical fragmentation of nitroarginine containing peptides

MG Leeming, JM White, RAJ O'Hair, WA Donald

2014-03-01

Protonated nitroarginine, [R^NO2 + H]⁺, which contains the nitroguanidine 'explosophore,' undergoes homolytic..

Mass Spectrometry of Organogold Compounds

R O'HAIR

2014-01-01