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6. Organometallic complexes for nonlinear optics. 15. Molecular quadratic hyperpolarizabilities of trans-bis{bis(diphenylphosphino)methane}ruthenium σ-aryl- and σ-pyridyl-acetylides: X-ray crystal structure of trans-[Ru(2-CCC5H3N-5-NO2)Cl(dppm)2]

Author

Naulty, Raina H, primary, McDonagh, Andrew M, additional, Whittall, Ian R, additional, Cifuentes, Marie P, additional, Humphrey, Mark G, additional, Houbrechts, Stephan, additional, Maes, Joachim, additional, Persoons, André, additional, Heath, Graham A, additional, and Hockless, David C.R, additional

Published
1998
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7. Novel Organometallic Compounds for Nonlinear Optics

Author

Houbrechts, Stephan, primary, Boutton, Carlo, additional, Clays, Koen, additional, Persoons, André, additional, Whittall, Ian R., additional, Naulty, Raina H., additional, Cifuentes, Marie P., additional, and Humphrey, Mark G., additional

Published
1998
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9. Organometallic complexes for nonlinear optics. X. Molecular quadratic and cubic hyperpolarizabilities of systematically varied (cyclopentadienyl)bis(phosphine) ruthenium σ-arylacetylides: X-ray crystal structure of Ru((E)-4,4′-C CC6H4CHC6H4NO2)(PPh3)2(η-C5H5)

Author

Whittall, Ian R., primary, Cifuentes, Marie P., additional, Humphrey, Mark G., additional, Luther-Davies, Barry, additional, Samoc, Marek, additional, Houbrechts, Stephan, additional, Persoons, André, additional, Heath, Graham A., additional, and Hockless, David C.R., additional

Published
1997
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10. Organometallic complexes for nonlinear optics. 14. Syntheses and second-order nonlinear optical properties of ruthenium, nickel and gold σ-acetylides of 1,3,5-triethynylbenzene: X-ray crystal structures of 1-(HC≡C)-3,5-C6H3(trans-C≡CRuCl(dppm)2)2 and 1,3,5-C6H3(C≡CAu(PPh3))3

Author

Whittall, Ian R., primary, Humphrey, Mark G., additional, Houbrechts, Stephan, additional, Maes, Joachim, additional, Persoons, André, additional, Schmid, Siegbert, additional, and Hockless, David C.R., additional

Published
1997
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13. Organometallic Complexes for Nonlinear Optics. 11.1 Molecular Quadratic and Cubic Hyperpolarizabilities of Systematically Varied (Cyclopentadienyl)(triphenylphosphine)nickel σ-Arylacetylides

Author

Whittall, Ian R., primary, Cifuentes, Marie P., additional, Humphrey, Mark G., additional, Luther-Davies, Barry, additional, Samoc, Marek, additional, Houbrechts, Stephan, additional, Persoons, André, additional, Heath, Graham A., additional, and Bogsányi, Denes, additional

Published
1997
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17. Organometallic complexes for non-linear optics VII. Cubic optical non-linearities of octahedral trans-bis{bis(diphenylphosphino)methane}ruthenium acetylide complexes; X-ray crystal structure of trans-[Ru(CCPH)(4-CCC6H4NO2)(dppm)2]

Author

McDonagh, Andrew M., primary, Cifuentes, Marie P., additional, Whittall, Ian R., additional, Humphrey, Mark G., additional, Samoc, Marek, additional, Luther-Davies, Barry, additional, and Hockless, David C.R., additional

Published
1996
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22. Organometallic Complexes for Nonlinear Optics. 2. Syntheses, Electrochemical Studies, Structural Characterization, and Computationally-Derived Molecular Quadratic Hyperpolarizabilities of Ruthenium .sigma.-Arylacetylides: X-ray Crystal Structures of Ru(C.tplbond.CPh)(PMe3)2(.eta.-C5H5) and Ru(C.tplbond.CC6H4NO2-4)(L)2(.eta.-C5H5) (L = PPh3, PMe3)

Author

Whittall, Ian R., primary, Humphrey, Mark G., additional, Hockless, David C. R., additional, Skelton, Brian W., additional, and White, Allan H., additional

Published
1995
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25. Structural Systematics of Metal Acetylide Complexes: X-Ray Studies of Some 'Extended-Chain' Gold σ-Acetylide Complexes

Author

Whittall, Ian R., Humphrey, Mark G., and Hockless, David C. R.

Abstract

The structures of Au(4-C≡CC6H4XYC6H4-4′-NO2)(PPh3) (XY= (E)-CH=CH (1), (Z)-CH=CH (2), C≡C (3), N=CH (4)) have been determined by single-crystal X-ray diffraction analyses, refining by full-matrix least-squares analysis. For (1), crystals are triclinic, space group P-1, with a8·847(1), b17·870(4), c19·705(3) Å, α116·25(1), β 93·33(1), γ 92·64(2)˚, Z4, 6747 unique reflections (703 parameters), converging at R0·025 and Rw0·029. For (2), crystals are monoclinic, space group P21/a, with a10·718(6), b19·398(5), c14·469(3) Å, β 108·96(2)˚, Z4, 3295 unique reflections (352 parameters), converging atR0·040 and Rw0·034. For (3), crystals are triclinic, space group P-1, with a10·671(4), b17·599(7), c18·220(8) Å, α 116·31(3), β 105·00(4), γ 95·08(4)˚, Z4, 4828 unique reflections (703 parameters), converging at R0·043 and Rw0·030. For (4), crystals are triclinic, space group P-1, with a8·8314(6), b17·834(2), c20·001(2) Å, α 115·249(7), β 90·930(7), γ 94·082(7)˚, Z4, 4724 unique reflections (703 parameters), converging at R0·035 and Rw0·034. Despite the [ligated metal donor]-bridge-[nitro acceptor] composition of these complexes, Au–C and C≡C distances are normal and consistent with minimal allenylidene contribution to the ground-state geometry. Within the 3σ confidence limits, the structural data do not provide evidence for π*-back-bonding in these complexes

Published
1997
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26. Undecacarbonyl(methylcyclopentadienyl)‐tetrahedro‐triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)‐tetrahedro‐triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)‐tetrahedro‐triiridiummolybdenum

Author

Lucas, Nigel T., Whittall, Ian R., and Humphrey, Mark G.

Abstract

The three title compounds tri‐μ‐carbonyl‐1:2κ2C;1:3κ2C;2:3κ2C‐octacarbonyl‐1κC,2κ2C,3κ2C,4κ3C‐η5‐methylcyclopentadienyl‐tetrahedro‐triiridiummolybdenum(3 Ir—Ir)(3 Ir—Mo), tri‐μ‐carbonyl‐1:2κ2C;1:3κ2C;2:3κ2C‐octacarbonyl‐1κC,2κ2C,3κ2C,4κ3C‐η5‐tetramethylcyclopentadienyl‐tetrahedro‐triiridiummolybdenum(3 Ir—Ir)(3 Ir—Mo) and tri‐μ‐carbonyl‐1:2κ2C;1:3κ2C;2:3κ2C‐octacarbonyl‐1κC,2κ2C,3κ2C,4κ3C‐η5‐pentamethylcyclopentadienyl‐tetrahedro‐triiridiummolybdenum(3 Ir—Ir)(3 Ir—Mo), [MoIr3(η5‐C5H5−nMen)(μ‐CO)3(CO)8], where n= 1, 4 or 5, have a pseudo­tetrahedral MoIr3core geometry, with a η5‐C5H5−nMengroup ligating the Mo atom, bridging carbonyls spanning the edges of an MoIr2face, and eight terminally bound carbonyls.

Published
2002
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28. Molecular Cubic Hyperpolarizabilities of Systematically Varied (Triphenylphosphane)–gold-s-Arylalkynyl Complexes

Author

Whittall, Ian R., Humphrey, Mark G., Samoc, Marek, and Luther-Davies, Barry

Abstract

The largest cubic nonlinear optical activitiesthus far determined for monomeric organometallic complexes in solution (schematic representation on the right) have been found for alkynyl(triphenylphosphane)gold complexes. In structure–property studies the influence of structural changes in the chromophore on the nonlinear response was systematically investigated.

Published
1997
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35. Matrix effect and cross-reactivity of select amphetamine-type substances, designer analogues, and putrefactive amines using the Bio-Quant direct ELISA presumptive assays for amphetamine and methamphetamine.

Author

Apollonio LG, Whittall IR, Pianca DJ, Kyd JM, and Maher WA

Subjects
Amines blood, Amines immunology, Amines urine, Amphetamine analysis, Amphetamines blood, Amphetamines immunology, Amphetamines urine, Antibodies, Antibody Specificity, Cross Reactions, Humans, Methamphetamine analysis, Postmortem Changes, Reproducibility of Results, Saliva chemistry, Sensitivity and Specificity, Amines analysis, Amphetamines analysis, Designer Drugs analysis, Enzyme-Linked Immunosorbent Assay, Forensic Medicine methods, Reagent Kits, Diagnostic, Substance Abuse Detection methods
Abstract

The aim of this study was to evaluate the Bio-Quant Direct ELISA assays for amphetamine and methamphetamine in the routine presumptive screening of biological fluids. Standard concentration curves of the target analytes were assayed to assess sensitivity, and known concentrations of common amphetamine-type substances (ephedrine, pseudoephedrine, phentermine), designer analogues (MDA, MDMA, MDEA, MBDB, PMA, 4-MTA, 2CB), and putrefactive amines (phenylethylamine, putrescine, tryptamine, tyramine) were analyzed to determine cross-reactivity. Results of the standard curve studies show the capacity of both Direct ELISA kits to confidently detect down to 3 ng/mL interday (PBS matrix; CVs 6.3-15.5%). Cross-reactivity relative to that of 50 ng/mL preparations of the target compounds demonstrated that the Direct ELISA kit for amphetamine also detected MDA (282%), PMA (265%), 4-MTA (280%), and phentermine (61%), and the Direct ELISA for methamphetamine also assayed positive for MDMA (73%), MDEA (18%), pseudoephedrine (19%), MBDB (8%), and ephedrine (9%). Matrix studies demonstrated that both ELISA kits could be applied to screening of blood, urine, and saliva to a concentration of 6 ng/mL or lower. In conclusion, the Bio-Quant Direct ELISA kits for amphetamine and methamphetamine are fast and accurate and have demonstrated themselves to be useful tools in routine toxicological testing.

Published
2007
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