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—Thousands of fish are sacrificed each year to determine potential human exposure to mercury (Hg) from fish consumption. In this paper, we use lake whitefish Coregonus clupeaformis and northern pike Esox lucius to demonstrate that accurate and reliable measures of fish muscle Hg concentrations can be determined from small samples (Ͻ100 mg) harvested with(More)
Metformin (Metf), the most commonly used type 2 diabetes drug, is known to affect the cellular housekeeping of copper. Recently, we discovered that the structurally closely related propanediimidamide (PDI) shows a cellular behavior different from that of Metf. Here we investigate the binding of these compounds to copper, to compare their binding strength.(More)
Mechanistic insight into the photo-induced solvent substitution reaction of cis-[Ru(bipyridine)2(nicotinamide)2](2+) (1) is presented. Complex 1 is a photoactive species, designed to display high cytotoxicity following irradiation, for potential use in photodynamic therapy (photochemotherapy). In Ru(II) complexes of this type, efficient population of a(More)
We present a detailed CASSCF study of the mechanism of excited-state intramolecular proton transfer (ESIPT) in the o-hydroxyphenyl triazine class of photostabilizers. The valence-bond analysis of the ground state and the two pipi* excited states permits a simple chemical interpretation of the mechanistic information. Our results show that the barrier to(More)
Tripodal tris(urea) cationic receptors 1 and 2 containing p-tolyl or octyl substituents, respectively, have been synthesized, and their association behavior with anionic guests has been studied via a variety of methods. The receptors are based around a hexasubstituted aryl core and contain both urea and pyridinium functionalities. For 1:1 complexes, anions(More)
We present a perspective on the computation and interpretation of force constants at points of symmetry-induced (Jahn-Teller) conical intersection. Our method is based upon the projection of the 'branching space' from the full (3N - 6)-dimensional Hessian for each component of a degenerate electronic state. For Jahn-Teller active molecules, this has the(More)
The excited state dynamics of resorcinol (1,3-dihydroxybenzene) following UV excitation at a range of pump wavelengths, 278 ≥ λ ≥ 255 nm, have been investigated using a combination of time-resolved velocity map ion imaging and ultrafast time-resolved ion yield measurements coupled with complementary ab initio calculations. After excitation to the 1(1)ππ*(More)
Ultrafast time-resolved velocity map ion imaging (TR-VMI) and time-resolved ion-yield (TR-IY) methods are utilised to reveal a comprehensive picture of the electronic state relaxation dynamics in photoexcited catechol (1,2-dihydroxybenzene). After excitation to the S1 ((1)ππ*) state between 280.5 (the S1 origin band, S1(v = 0)) to 243 nm, the population in(More)
A detailed study of the low-energy optical transitions in two families of star-shaped molecules is presented. Both families have 3-fold rotational symmetry with oligofluorene arms attached to a central core. In one family, the core of the molecule is a rigid meta-linked truxene, while the other is a meta-linked benzene moiety. The low-energy transitions(More)
Porphycenes are structural isomers of porphyrins that have many unique properties and features. In the present work, the resonant two-photon absorption of 2,7,12,17-tetraphenylporphycene (TPPo) and its palladium(II) complex (PdTPPo) has been investigated. The data obtained are compared to those from the isomeric compound, meso-tetraphenylporphyrin (TPP).(More)