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  • United Kingdom

Accepting PhD Students

20022020

Research output per year

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Research Output

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Article
2002

Evidence for the HOOO- anion in the ozonation of 1,3-dioxolanes: hemiortho esters as the primary products

Plesničar, B., Cerkovnik, J., Tuttle, T., Kraka, E. & Cremer, D., 25 Sep 2002, In : Journal of the American Chemical Society . 124, 38, p. 11260-11261 2 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)
2003

Mechanism of formation of hydrogen trioxide (HOOOH) in the ozonation of 1,2-diphenylhydrazine and 1,2-dimethylhydrazine: an experimental and theoretical investigation

Plesničar, B., Tuttle, T., Cerkovnik, J., Koller, J. & Cremer, D., 24 Sep 2003, In : Journal of the American Chemical Society . 125, 38, p. 11553-11564 12 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)
2004

Analysis of the NMR spin-spin coupling mechanism across a H-bond: nature of the H-bond in proteins

Tuttle, T., Gräfenstein, J., Wu, A., Kraka, E. & Cremer, D., 22 Jan 2004, In : Journal of Physical Chemistry B . 108, 3, p. 1115-1129 15 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)

Analysis of the NMR through-space coupling mechanism between 19F atoms

Tuttle, T., Gräfenstein, J. & Cremer, D., 11 Aug 2004, In : Chemical Physics Letters. 394, 1-3, p. 5-13 9 p.

Research output: Contribution to journalArticle

34 Citations (Scopus)

Decomposition of nuclear magnetic resonance spin-spin coupling constants into active and passive orbital contributions

Gräfenstein, J., Tuttle, T. & Cremer, D., 1 Jun 2004, In : Journal of Chemical Physics. 120, 21, p. 9952-9968 17 p.

Research output: Contribution to journalArticle

Open Access
File
16 Citations (Scopus)
13 Downloads (Pure)

Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation

Tuttle, T., Cerkovnik, J., Plesničar, B. & Cremer, D., 15 Dec 2004, In : Journal of the American Chemical Society . 126, 49, p. 16093-16104 12 p.

Research output: Contribution to journalArticle

28 Citations (Scopus)
34 Citations (Scopus)
2005

Analysis of long-range NMR spin-spin coupling in polyenes and the π-mechanism

Gräfenstein, J., Tuttle, T. & Cremer, D., 7 Feb 2005, In : Physical Chemistry Chemical Physics. 7, 3, p. 452-462 11 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

Docking, triggering, and biological activity of dynemicin A in DNA: a computational study

Tuttle, C. T., Kraka, E. & Cremer, D., 2005, In : Journal of American Chemical Society. 127, p. 9469-9484 16 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)

Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: the FH molecule

Gräfenstein, J., Tuttle, T. & Cremer, D., 17 Mar 2005, In : Journal of Physical Chemistry A. 109, 10, p. 2325-2339 15 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
2006

Latrunculin analogues with improved biological profiles by "diverted total synthesis": preparation, evaluation, and computational analysis

Fürstner, A., Kirk, D., Fenster, M. D. B., Aïssa, C., De Souza, D., Nevado, C., Tuttle, T., Thiel, W. & Müller, O., 18 Dec 2006, In : Chemistry - A European Journal . 13, 1, p. 135-149 15 p.

Research output: Contribution to journalArticle

64 Citations (Scopus)

Mechanism of olefin hydrosilylation catalyzed by ruCI2(CO)2(PPh3)2

Tuttle, C. T., Wang, D., Thiel, W., Weis, J., Kohler, J. & Hofmann, M., 2006, In : Organometallics. 25, p. 4504-4513 10 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)
41 Downloads (Pure)

The ozonation of silanes and germanes: an experimental and theoretical investigation

Cerkovnik, J., Tuttle, T., Kraka, E., Lendero, N., Plesničar, B. & Cremer, D., 29 Mar 2006, In : Journal of the American Chemical Society . 128, 12, p. 4090-4100 11 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)

Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: a computational study

Tuttle, T., Keinan, E. & Thiel, W., 5 Oct 2006, In : Journal of Physical Chemistry B . 110, 39, p. 19685-19695 11 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
2007

A QM/MM study of the Bergman reaction of dynemicin A in the minor groove of DNA

Tuttle, T., Kraka, E., Thiel, W. & Cremer, D., 19 Jul 2007, In : Journal of Physical Chemistry B . 111, 28, p. 8321-8328 8 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Generation of aryl anions by double electron transfer to aryl iodides from a neutral ground-state organic super electron donor (SED)

Murphy, J. A., Zhou, S., Tuttle, C. T., Schoenebeck, F., Mohan, M., Park, S. R., Berlouis, L. E. A. & Thomson, D. W., 2007, In : Agewandte Chemie-International Edition. 46, p. 5178-5183 6 p.

Research output: Contribution to journalArticle

92 Citations (Scopus)

Mechanism of olefin hydrosilylation catalyzed by [RuCl(NCCH3)5]+: a DFT study

Tuttle, T., Wang, D., Thiel, W., Köhler, J., Hofmann, M. & Weis, J., 1 May 2007, In : Journal of Organometallic Chemistry. 692, 11, p. 2282-2290 9 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Reductive cleavage of sulfones and sulfonamides by neutral organic super electron-donor (S.E.D.) reagent

Murphy, J. A., Schoenebeck, F., Zhou, S., Tuttle, C. T., Uenoyama, Y. & Miclo, Y., 2007, In : Journal of American Chemical Society. 129, 44, p. 13368-13369 1 p.

Research output: Contribution to journalArticle

Open Access
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72 Citations (Scopus)
608 Downloads (Pure)

Substrate orientation in 4-oxalocrotonate tautomerase and its effect on QM/MM energy profiles

Tuttle, T. & Thiel, W., 14 Jun 2007, In : Journal of Physical Chemistry B. 111, 26, p. 7665-7674 10 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

The reactivity of calicheamicin γ1i in the minor groove of DNA: the decisive role of the environment

Kraka, E., Tuttle, T. & Cremer, D., 16 Nov 2007, In : Chemistry - A European Journal . 13, 33, p. 9256-9269 14 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
2008

An efficient methyltrioxorhenium(vii)-catalyzed transformation of hydrotrioxides (roooh) into dihydrogen trioxide (hoooh)

Bergant, A., Cerkovnik, J., Plesnicar, B. & Tuttle, T., 29 Oct 2008, In : Journal of the American Chemical Society. 130, 43, p. 14086-14087 1 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Design of a new warhead for the natural enediyne dynemicin A. An increase of biological activity

Kraka, E., Tuttle, T. & Cremer, D., 1 Mar 2008, In : Journal of Physical Chemistry B . 112, 9, p. 2661-2670 10 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Dihydrogen trioxide clusters, (HOOOH)n (n = 2−4) and the hydrogen-bonded complexes of HOOOH with acetone and dimethyl ether: implications for the decomposition of HOOOH

Kovacic, S., Koller, J., Cerkovnik, J., Tuttle, T. & Plesnicar, B., 4 Sep 2008, In : Journal of Physical Chemistry A. 112, 35, p. 8129-8135 6 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)
Open Access
File
77 Citations (Scopus)
33 Downloads (Pure)

The electronic structure of iron corroles: a combined experimental and quantum chemical study

Ye, S., Tuttle, T., Bill, E., Simkhovich, L., Gross, Z., Thiel, W. & Neese, F., 21 Nov 2008, In : Chemistry - A European Journal . 14, 34, p. 10839-10851 13 p.

Research output: Contribution to journalArticle

94 Citations (Scopus)
2009

Averaging semiempirical NMR chemical shifts: dynamic effects on the subpicosecond time scale

Tuttle, T., 29 Oct 2009, In : Journal of Physical Chemistry A. 113, 43, p. 11723-11733 10 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
9 Citations (Scopus)

Ruthenium based catalysts for olefin hydrosilylation: dichloro(p-cymene)ruthenium and related complexes

Tuttle, T., Wang, D., Thiel, W., Köhler, J., Hofmann, M. & Weis, J., 14 Aug 2009, In : Journal of the Chemical Society. Dalton Transactions. 30, p. 5894-5901 8 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Structural tracking of the potassium-mediated magnesiation of anisole

Clegg, W., Conway, B., Garcia-Alvarez, P., Kennedy, A. R., Mulvey, R. E., Russo, L., Sassmannshausen, J. & Tuttle, T., 2009, In : Chemistry - A European Journal. 15, 41, p. 10702-10706 4 p.

Research output: Contribution to journalArticle

28 Citations (Scopus)
2010

Effect of alkali on methylene blue (C.I. basic blue 9) and other thiazine dyes

Mills, A., Hazafy, D., Parkinson, J., Tuttle, T. & Hutchings, M. G., Feb 2010, In : Dyes and Pigments. 88, 2, p. 149-155 7 p.

Research output: Contribution to journalArticle

67 Citations (Scopus)

Fmoc hydrogels from aromatic carbohydrate amphiphiles

Edwards, A. A., Birchall, L., Jayawarna, V., Roy, S., Hughes, M., Tuttle, T., Saudi, N., Okorogheye, G. T. & Ulijn, R. V., Oct 2010, In : Journal of Pharmacy and Pharmacology. 62, 10, p. 1331

Research output: Contribution to journalArticle

Reductions of challenging organic substrates by a nickel complex of a noninnocent crown carbene ligand

Findlay, N., Park, S. R., Schoenebeck, F., Cahard, E., Zhou, S-Z., Berlouis, L., Spicer, M., Tuttle, T. & Murphy, J., 10 Nov 2010, In : Journal of the American Chemical Society. 132, 44, p. 15462-15464 3 p.

Research output: Contribution to journalArticle

48 Citations (Scopus)

The search for protonated dihydrogen trioxide (HOOOH): insights from theory and experiment

Tuttle, T., Cerkovnik, J., Koller, J. & Plesnicar, B., 2010, In : Journal of Physical Chemistry A. 114, 30, p. 8003-8008 6 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
2011

Biocatalytic self-assembly of 2D peptide-based nanostructures

Hughes, M., Xu, H., Frederix, P., Smith, A. M., Hunt, N., Tuttle, T., Kinloch, I. A. & Ulijn, R. V., 2011, In : Soft Matter. 7, 21, p. 10032-10038 7 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)

Exploiting the CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles

Birchall, L., Roy, S., Jayawarna, V., Hughes, M., Irvine, E. J., Okorogheye, G. T., Saudi, N., De Santis, E., Tuttle, T., Edwards, A. A. & Ulijn, R. V., 2011, In : Chemical Science. 2, 7, p. 1349-1355 7 p.

Research output: Contribution to journalArticle

Open Access
File
54 Citations (Scopus)
158 Downloads (Pure)
23 Citations (Scopus)

Predicting the UV-Vis Spectra of Oxazine Dyes

Fleming, S., Mills, A. & Tuttle, T., 2011, In : Beilstein Journal of Organic Chemistry. 7, p. 432-441

Research output: Contribution to journalArticle

39 Citations (Scopus)

Tungsten(VI) N-heterocyclic carbene complexes: synthetic, structural, and computational study

Dodds, C. A., Spicer, M. D. & Tuttle, T., 28 Nov 2011, In : Organometallics. 30, 22, p. 6262–6269 8 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Virtual screening for dipeptide aggregation: toward predictive tools for peptide self-assembly

Frederix, P., Ulijn, R. V., Hunt, N. & Tuttle, T., 2011, In : Journal of Physical Chemistry Letters. 2, 19, p. 2380-2384 5 p.

Research output: Contribution to journalArticle

88 Citations (Scopus)
2012

Imidazole-derived carbenes and their elusive tetraazafulvalene dimers

Jolly, P. I., Zhou, S., Thomson, D. W., Garnier, J., Parkinson, J. A., Tuttle, T. & Murphy, J. A., 14 Feb 2012, In : Chemical Science. 3, 5, p. 1675-1679 5 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)

Oligothiophene cruciform with a germanium spiro center: a promising material for organic photovoltaics

Wright, I. A., Kanibolotsky, A. L., Cameron, J., Tuttle, T., Skabara, P. J., Coles, S. J., Howells, C. T., Thomson, S. A. J., Gambino, S., Samuel, I. D. W. & Skabara, P., May 2012, In : Agewandte Chemie-International Edition. 51, 19, p. 4562-4567 6 p.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly

Hughes, M., Frederix, P. W. J. M., Raeburn, J., Birchall, L. S., Sadownik, J., Coomer, F. C., Lin, I-H., Cussen, E. J., Hunt, N. T., Tuttle, T., Webb, S. J., Adams, D. J. & Ulijn, R. V., 2012, In : Soft Matter. 8, 20, p. 5595-5602 8 p.

Research output: Contribution to journalArticle

61 Citations (Scopus)

Superelectrophilic amidine dications: dealkylation by triflate anion

Kovacevic, L. S., Idziak, C., Markevicius, A., Scullion, C., Corr, M. J., Kennedy, A., Tuttle, T. & Murphy, J. A., 20 Aug 2012, In : Angewandte Chemie International Edition . 51, 34, p. 8516-8519 4 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2013

Aromatic peptide amphiphiles: significance of the Fmoc moiety

Fleming, S., Debnath, S., Frederix, P. W. J. M., Tuttle, T. & Ulijn, R. V., 21 Nov 2013, In : Chemical Communications. 49, 90, p. 10587-10589 3 p.

Research output: Contribution to journalArticle

82 Citations (Scopus)

Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles

Fleming, S., Frederix, P. W. J. M., Sasselli, I. R., Hunt, N. T., Ulijn, R. V. & Tuttle, T., 30 Jul 2013, In : Langmuir. 29, 30, p. 9510-9515 6 p.

Research output: Contribution to journalArticle

82 Citations (Scopus)

Incorporation of perfluorohexyl-functionalised thiophenes into oligofluorene-truxenes: synthesis and physical properties

Thomson, N. N., Kanibolotsky, A. L. A. L., Cameron, J. J., Tuttle, T. T., Findlay, N. J. N. J. & Skabara, P. J. P. J., 27 Jun 2013, In : Beilstein Journal of Organic Chemistry. 9, p. 1243-1251 9 p.

Research output: Contribution to journalArticle

Open Access
File
6 Citations (Scopus)
115 Downloads (Pure)

Organobase-catalyzed amidation of esters with amino alcohols

Caldwell, N., Jamieson, C., Simpson, I. & Tuttle, T., 17 May 2013, In : Organic Letters. 15, 10, p. 2506-2509 4 p.

Research output: Contribution to journalArticle

34 Citations (Scopus)

Overturning established chemoselectivities: selective reduction of arenes over malonates and cyanoacetates by photoactivated organic electron donors

Doni, E., Mondal, B., O'Sullivan, S., Tuttle, T. & Murphy, J. A., 31 Jul 2013, In : Journal of the American Chemical Society. 135, 30, p. 10934-10937 4 p.

Research output: Contribution to journalArticle

Open Access
File
37 Citations (Scopus)
62 Downloads (Pure)
12 Citations (Scopus)
2014

Discovery of catalytic phages by biocatalytic self-assembly

Maeda, Y., Javid, N., Duncan, K., Birchall, L., Gibson, K. F., Cannon, D., Kanetsuki, Y., Knapp, C. W., Tuttle, T., Ulijn, R. V. & Matsui, H., 2014, In : Journal of the American Chemical Society. 136, 45, p. 15893–15896 4 p.

Research output: Contribution to journalArticle

Open Access
File
29 Citations (Scopus)
137 Downloads (Pure)