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Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis.

Physical chemistry chemical physics : PCCP

Ludvíková L, Friš P, Heger D, Šebej P, Wirz J, Klán P.
PMID: 27253480
Phys Chem Chem Phys. 2016 Jun 28;18(24):16266-73. doi: 10.1039/c6cp01710j. Epub 2016 Jun 02.

The photophysical and photochemical properties of rose bengal (RB) in degassed aqueous and acetonitrile solutions were studied using steady-state and transient absorption spectroscopies. This comprehensive investigation provides detailed information about the kinetics and the optical properties of all intermediates...

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Ludvíková L, Friš P, Heger D, et al. Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis. Phys Chem Chem Phys. 2016;18(24):16266-73doi: 10.1039/c6cp01710j.
Ludvíková, L., Friš, P., Heger, D., Šebej, P., Wirz, J., & Klán, P. (2016). Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis. Physical chemistry chemical physics : PCCP, 18(24), 16266-73. https://doi.org/10.1039/c6cp01710j
Ludvíková, Lucie, et al. "Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis." Physical chemistry chemical physics : PCCP vol. 18,24 (2016): 16266-73. doi: https://doi.org/10.1039/c6cp01710j
Ludvíková L, Friš P, Heger D, Šebej P, Wirz J, Klán P. Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis. Phys Chem Chem Phys. 2016 Jun 28;18(24):16266-73. doi: 10.1039/c6cp01710j. Epub 2016 Jun 02. PMID: 27253480.
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Searching for Improved Photoreleasing Abilities of Organic Molecules.

Accounts of chemical research

Šolomek T, Wirz J, Klán P.
PMID: 26569596
Acc Chem Res. 2015 Dec 15;48(12):3064-72. doi: 10.1021/acs.accounts.5b00400. Epub 2015 Nov 16.

Photoremovable protecting groups (PPGs) are chemical auxiliaries that provide spatial and temporal control over the release of various molecules: bioagents (neurotransmitters and cell-signaling molecules, Ca(2+) ions), acids, bases, oxidants, insecticides, pheromones, fragrances, etc. A major challenge for the improvement...

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Šolomek T, Wirz J, Klán P. Searching for Improved Photoreleasing Abilities of Organic Molecules. Acc Chem Res. 2015;48(12):3064-72doi: 10.1021/acs.accounts.5b00400.
Šolomek, T., Wirz, J., & Klán, P. (2015). Searching for Improved Photoreleasing Abilities of Organic Molecules. Accounts of chemical research, 48(12), 3064-72. https://doi.org/10.1021/acs.accounts.5b00400
Šolomek, Tomáš, et al. "Searching for Improved Photoreleasing Abilities of Organic Molecules." Accounts of chemical research vol. 48,12 (2015): 3064-72. doi: https://doi.org/10.1021/acs.accounts.5b00400
Šolomek T, Wirz J, Klán P. Searching for Improved Photoreleasing Abilities of Organic Molecules. Acc Chem Res. 2015 Dec 15;48(12):3064-72. doi: 10.1021/acs.accounts.5b00400. Epub 2015 Nov 16. PMID: 26569596.
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On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability.

Journal of chemical theory and computation

Wirz LN, Reine SS, Pedersen TB.
PMID: 28873316
J Chem Theory Comput. 2017 Oct 10;13(10):4897-4906. doi: 10.1021/acs.jctc.7b00801. Epub 2017 Sep 25.

The definiteness of the Mulliken and Dirac electron repulsion integral (ERI) matrices is examined for different classes of resolution-of-the-identity (RI) ERI approximations with particular focus on local fitting techniques. For global RI, robust local RI, and nonrobust local RI...

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Wirz LN, Reine SS, Pedersen TB. On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability. J Chem Theory Comput. 2017;13(10):4897-4906doi: 10.1021/acs.jctc.7b00801.
Wirz, L. N., Reine, S. S., & Pedersen, T. B. (2017). On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability. Journal of chemical theory and computation, 13(10), 4897-4906. https://doi.org/10.1021/acs.jctc.7b00801
Wirz, Lukas N, et al. "On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability." Journal of chemical theory and computation vol. 13,10 (2017): 4897-4906. doi: https://doi.org/10.1021/acs.jctc.7b00801
Wirz LN, Reine SS, Pedersen TB. On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability. J Chem Theory Comput. 2017 Oct 10;13(10):4897-4906. doi: 10.1021/acs.jctc.7b00801. Epub 2017 Sep 25. PMID: 28873316.
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From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980.

Journal of computational chemistry

Wirz LN, Tonner R, Hermann A, Sure R, Schwerdtfeger P.
PMID: 25821044
J Comput Chem. 2016 Jan 05;37(1):10-7. doi: 10.1002/jcc.23894. Epub 2015 Mar 26.

We introduce a simple but computationally very efficient harmonic force field, which works for all fullerene structures and includes bond stretching, bending, and torsional motions as implemented into our open-source code Fullerene. This gives accurate geometries and reasonably accurate...

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Wirz LN, Tonner R, Hermann A, et al. From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. J Comput Chem. 2015;37(1):10-7doi: 10.1002/jcc.23894.
Wirz, L. N., Tonner, R., Hermann, A., Sure, R., & Schwerdtfeger, P. (2016). From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. Journal of computational chemistry, 37(1), 10-7. https://doi.org/10.1002/jcc.23894
Wirz, Lukas N, et al. "From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980." Journal of computational chemistry vol. 37,1 (2016): 10-7. doi: https://doi.org/10.1002/jcc.23894
Wirz LN, Tonner R, Hermann A, Sure R, Schwerdtfeger P. From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. J Comput Chem. 2016 Jan 05;37(1):10-7. doi: 10.1002/jcc.23894. Epub 2015 Mar 26. PMID: 25821044.
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The topology of fullerenes.

Wiley interdisciplinary reviews. Computational molecular science

Schwerdtfeger P, Wirz LN, Avery J.
PMID: 25678935
Wiley Interdiscip Rev Comput Mol Sci. 2015 Jan;5(1):96-145. doi: 10.1002/wcms.1207.

Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph...

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Schwerdtfeger P, Wirz LN, Avery J. The topology of fullerenes. Wiley Interdiscip Rev Comput Mol Sci. 2015;5(1):96-145doi: 10.1002/wcms.1207.
Schwerdtfeger, P., Wirz, L. N., & Avery, J. (2015). The topology of fullerenes. Wiley interdisciplinary reviews. Computational molecular science, 5(1), 96-145. https://doi.org/10.1002/wcms.1207
Schwerdtfeger, Peter, et al. "The topology of fullerenes." Wiley interdisciplinary reviews. Computational molecular science vol. 5,1 (2015): 96-145. doi: https://doi.org/10.1002/wcms.1207
Schwerdtfeger P, Wirz LN, Avery J. The topology of fullerenes. Wiley Interdiscip Rev Comput Mol Sci. 2015 Jan;5(1):96-145. doi: 10.1002/wcms.1207. PMID: 25678935; PMCID: PMC4313690.
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Salt effects on the reactions of radical ion pairs formed by electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines. Optical flash photolysis and step-scan FTIR investigations.

Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

Mac M, Wirz J.
PMID: 12659145
Photochem Photobiol Sci. 2002 Jan;1(1):24-9. doi: 10.1039/b106798b.

Electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines in acetonitrile was investigated by means of nanosecond flash photolysis and step-scan infrared spectroscopy. With 2,5-di-tert-butylaniline as the electron donor, proton transfer following the primary electron transfer process forms neutral radicals,...

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Mac M, Wirz J. Salt effects on the reactions of radical ion pairs formed by electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines. Optical flash photolysis and step-scan FTIR investigations. Photochem Photobiol Sci. 2002;1(1):24-9doi: 10.1039/b106798b.
Mac, M., & Wirz, J. (2002). Salt effects on the reactions of radical ion pairs formed by electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines. Optical flash photolysis and step-scan FTIR investigations. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 1(1), 24-9. https://doi.org/10.1039/b106798b
Mac, Marek, and Wirz, Jakob. "Salt effects on the reactions of radical ion pairs formed by electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines. Optical flash photolysis and step-scan FTIR investigations." Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology vol. 1,1 (2002): 24-9. doi: https://doi.org/10.1039/b106798b
Mac M, Wirz J. Salt effects on the reactions of radical ion pairs formed by electron transfer quenching of triplet 2-methyl-1,4-naphthoquinone by amines. Optical flash photolysis and step-scan FTIR investigations. Photochem Photobiol Sci. 2002 Jan;1(1):24-9. doi: 10.1039/b106798b. PMID: 12659145.
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Absolute configuration modulation attenuated total reflection ir spectroscopy: an in situ method for probing chiral recognition in liquid chromatography.

Analytical chemistry

Wirz R, Bürgi T, Lindner W, Baiker A.
PMID: 15362888
Anal Chem. 2004 Sep 15;76(18):5319-30. doi: 10.1021/ac049428x.

A method to selectively probe the different adsorption of enantiomers at chiral solid-liquid interfaces is applied, which combines attenuated total reflection infrared spectroscopy and modulation spectroscopy. The spectral changes on the surface are followed while the absolute configuration of...

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Wirz R, Bürgi T, Lindner W, et al. Absolute configuration modulation attenuated total reflection ir spectroscopy: an in situ method for probing chiral recognition in liquid chromatography. Anal Chem. 2004;76(18):5319-30doi: 10.1021/ac049428x.
Wirz, R., Bürgi, T., Lindner, W., & Baiker, A. (2004). Absolute configuration modulation attenuated total reflection ir spectroscopy: an in situ method for probing chiral recognition in liquid chromatography. Analytical chemistry, 76(18), 5319-30. https://doi.org/10.1021/ac049428x
Wirz, Ronny, et al. "Absolute configuration modulation attenuated total reflection ir spectroscopy: an in situ method for probing chiral recognition in liquid chromatography." Analytical chemistry vol. 76,18 (2004): 5319-30. doi: https://doi.org/10.1021/ac049428x
Wirz R, Bürgi T, Lindner W, Baiker A. Absolute configuration modulation attenuated total reflection ir spectroscopy: an in situ method for probing chiral recognition in liquid chromatography. Anal Chem. 2004 Sep 15;76(18):5319-30. doi: 10.1021/ac049428x. PMID: 15362888.
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Photoreactions of 3-diazo-3H-benzofuran-2-one; dimerization and hydrolysis of its primary photoproduct, a quinonoid cumulenone: a study by time-resolved optical and infrared spectroscopy.

Journal of the American Chemical Society

Chiang Y, Gaplovsky M, Kresge AJ, Leung KH, Ley C, Mac M, Persy G, Phillips DL, Popik VV, Rödig C, Wirz J, Zhu Y.
PMID: 14558836
J Am Chem Soc. 2003 Oct 22;125(42):12872-80. doi: 10.1021/ja0365476.

Light-induced deazotization of 3-diazo-3H-benzofuran-2-one (1) in solution is accompanied by facile (CO)-O bond cleavage yielding 6-(oxoethenylidene)-2,4-cyclohexadien-1-one (3), which appears with a rise time of 28 ps. The expected Wolff-rearrangement product, 7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ylidenemethanone (4), is not formed. The efficient light-induced formation...

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Chiang Y, Gaplovsky M, Kresge AJ, et al. Photoreactions of 3-diazo-3H-benzofuran-2-one; dimerization and hydrolysis of its primary photoproduct, a quinonoid cumulenone: a study by time-resolved optical and infrared spectroscopy. J Am Chem Soc. 2003;125(42):12872-80doi: 10.1021/ja0365476.
Chiang, Y., Gaplovsky, M., Kresge, A. J., Leung, K. H., Ley, C., Mac, M., Persy, G., Phillips, D. L., Popik, V. V., Rödig, C., Wirz, J., & Zhu, Y. (2003). Photoreactions of 3-diazo-3H-benzofuran-2-one; dimerization and hydrolysis of its primary photoproduct, a quinonoid cumulenone: a study by time-resolved optical and infrared spectroscopy. Journal of the American Chemical Society, 125(42), 12872-80. https://doi.org/10.1021/ja0365476
Chiang, Yvonne, et al. "Photoreactions of 3-diazo-3H-benzofuran-2-one; dimerization and hydrolysis of its primary photoproduct, a quinonoid cumulenone: a study by time-resolved optical and infrared spectroscopy." Journal of the American Chemical Society vol. 125,42 (2003): 12872-80. doi: https://doi.org/10.1021/ja0365476
Chiang Y, Gaplovsky M, Kresge AJ, Leung KH, Ley C, Mac M, Persy G, Phillips DL, Popik VV, Rödig C, Wirz J, Zhu Y. Photoreactions of 3-diazo-3H-benzofuran-2-one; dimerization and hydrolysis of its primary photoproduct, a quinonoid cumulenone: a study by time-resolved optical and infrared spectroscopy. J Am Chem Soc. 2003 Oct 22;125(42):12872-80. doi: 10.1021/ja0365476. PMID: 14558836.
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Design and construction of the high-speed optoelectronic memory system demonstrator.

Applied optics

Barbieri R, Benabes P, Bierhoff T, Caswell JJ, Gauthier A, Jahns J, Jarczynski M, Lukowicz P, Oksman J, Russell GA, Schrage J, Snowdon JF, Stübbe O, Troster G, Wirz M.
PMID: 18594597
Appl Opt. 2008 Jul 01;47(19):3500-12. doi: 10.1364/ao.47.003500.

The high-speed optoelectronic memory system project is concerned with the reduction of latency within multiprocessor computer systems (a key problem) by the use of optoelectronics and associated packaging technologies. System demonstrators have been constructed to enable the evaluation of...

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Barbieri R, Benabes P, Bierhoff T, et al. Design and construction of the high-speed optoelectronic memory system demonstrator. Appl Opt. 2008;47(19):3500-12doi: 10.1364/ao.47.003500.
Barbieri, R., Benabes, P., Bierhoff, T., Caswell, J. J., Gauthier, A., Jahns, J., Jarczynski, M., Lukowicz, P., Oksman, J., Russell, G. A., Schrage, J., Snowdon, J. F., Stübbe, O., Troster, G., & Wirz, M. (2008). Design and construction of the high-speed optoelectronic memory system demonstrator. Applied optics, 47(19), 3500-12. https://doi.org/10.1364/ao.47.003500
Barbieri, Roberto, et al. "Design and construction of the high-speed optoelectronic memory system demonstrator." Applied optics vol. 47,19 (2008): 3500-12. doi: https://doi.org/10.1364/ao.47.003500
Barbieri R, Benabes P, Bierhoff T, Caswell JJ, Gauthier A, Jahns J, Jarczynski M, Lukowicz P, Oksman J, Russell GA, Schrage J, Snowdon JF, Stübbe O, Troster G, Wirz M. Design and construction of the high-speed optoelectronic memory system demonstrator. Appl Opt. 2008 Jul 01;47(19):3500-12. doi: 10.1364/ao.47.003500. PMID: 18594597.
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Flash photolytic generation of two keto tautomers of 1-naphthol in aqueous solution: kinetics and equilibria of enolization.

Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

Gut IG, Scheibler LC, Wirz J.
PMID: 20383354
Photochem Photobiol Sci. 2010 Jul 30;9(7):901-7. doi: 10.1039/c0pp00034e. Epub 2010 Apr 09.

Benzo[b]cyclohexa-2,4-dien-1-one (4) and benzo[b]cyclohexa-2,5-dien-1-one (5), the two most stable keto tautomers of 1-naphthol (1), were generated in aqueous solution by Norrish Type II fission of 4- and 2-phenacyl-1-tetralone, respectively, and the pH-rate profiles of their enolization were measured by...

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Gut IG, Scheibler LC, Wirz J. Flash photolytic generation of two keto tautomers of 1-naphthol in aqueous solution: kinetics and equilibria of enolization. Photochem Photobiol Sci. 2010;9(7):901-7doi: 10.1039/c0pp00034e.
Gut, I. G., Scheibler, L. C., & Wirz, J. (2010). Flash photolytic generation of two keto tautomers of 1-naphthol in aqueous solution: kinetics and equilibria of enolization. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 9(7), 901-7. https://doi.org/10.1039/c0pp00034e
Gut, Ivo Glynne, et al. "Flash photolytic generation of two keto tautomers of 1-naphthol in aqueous solution: kinetics and equilibria of enolization." Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology vol. 9,7 (2010): 901-7. doi: https://doi.org/10.1039/c0pp00034e
Gut IG, Scheibler LC, Wirz J. Flash photolytic generation of two keto tautomers of 1-naphthol in aqueous solution: kinetics and equilibria of enolization. Photochem Photobiol Sci. 2010 Jul 30;9(7):901-7. doi: 10.1039/c0pp00034e. Epub 2010 Apr 09. PMID: 20383354.
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First steps in combining modulation excitation spectroscopy with synchronous dispersive EXAFS/DRIFTS/mass spectrometry for in situ time resolved study of heterogeneous catalysts.

Physical chemistry chemical physics : PCCP

Ferri D, Kumar MS, Wirz R, Eyssler A, Korsak O, Hug P, Weidenkaff A, Newton MA.
PMID: 20436968
Phys Chem Chem Phys. 2010 Jun 07;12(21):5634-46. doi: 10.1039/b926886c. Epub 2010 Apr 30.

The synchronous combination of time resolved (energy dispersive) EXAFS, diffuse reflectance infrared spectroscopy (DRIFTS), and mass spectrometry (MS), applied within the general framework of concentration modulation spectroscopy, is demonstrated for in situ and time-resolved study of the behaviour of...

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Ferri D, Kumar MS, Wirz R, et al. First steps in combining modulation excitation spectroscopy with synchronous dispersive EXAFS/DRIFTS/mass spectrometry for in situ time resolved study of heterogeneous catalysts. Phys Chem Chem Phys. 2010;12(21):5634-46doi: 10.1039/b926886c.
Ferri, D., Kumar, M. S., Wirz, R., Eyssler, A., Korsak, O., Hug, P., Weidenkaff, A., & Newton, M. A. (2010). First steps in combining modulation excitation spectroscopy with synchronous dispersive EXAFS/DRIFTS/mass spectrometry for in situ time resolved study of heterogeneous catalysts. Physical chemistry chemical physics : PCCP, 12(21), 5634-46. https://doi.org/10.1039/b926886c
Ferri, Davide, et al. "First steps in combining modulation excitation spectroscopy with synchronous dispersive EXAFS/DRIFTS/mass spectrometry for in situ time resolved study of heterogeneous catalysts." Physical chemistry chemical physics : PCCP vol. 12,21 (2010): 5634-46. doi: https://doi.org/10.1039/b926886c
Ferri D, Kumar MS, Wirz R, Eyssler A, Korsak O, Hug P, Weidenkaff A, Newton MA. First steps in combining modulation excitation spectroscopy with synchronous dispersive EXAFS/DRIFTS/mass spectrometry for in situ time resolved study of heterogeneous catalysts. Phys Chem Chem Phys. 2010 Jun 07;12(21):5634-46. doi: 10.1039/b926886c. Epub 2010 Apr 30. PMID: 20436968.
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Associated Bacteria Affect Sexual Reproduction by Altering Gene Expression and Metabolic Processes in a Biofilm Inhabiting Diatom.

Frontiers in microbiology

Cirri E, De Decker S, Bilcke G, Werner M, Osuna-Cruz CM, De Veylder L, Vandepoele K, Werz O, Vyverman W, Pohnert G.
PMID: 31428077
Front Microbiol. 2019 Aug 02;10:1790. doi: 10.3389/fmicb.2019.01790. eCollection 2019.

Diatoms are unicellular algae with a fundamental role in global biogeochemical cycles as major primary producers at the base of aquatic food webs. In recent years, chemical communication between diatoms and associated bacteria has emerged as a key factor...

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Cirri E, De Decker S, Bilcke G, et al. Associated Bacteria Affect Sexual Reproduction by Altering Gene Expression and Metabolic Processes in a Biofilm Inhabiting Diatom. Front Microbiol. 2019;10:1790doi: 10.3389/fmicb.2019.01790.
Cirri, E., De Decker, S., Bilcke, G., Werner, M., Osuna-Cruz, C. M., De Veylder, L., Vandepoele, K., Werz, O., Vyverman, W., & Pohnert, G. (2019). Associated Bacteria Affect Sexual Reproduction by Altering Gene Expression and Metabolic Processes in a Biofilm Inhabiting Diatom. Frontiers in microbiology, 101790. https://doi.org/10.3389/fmicb.2019.01790
Cirri, Emilio, et al. "Associated Bacteria Affect Sexual Reproduction by Altering Gene Expression and Metabolic Processes in a Biofilm Inhabiting Diatom." Frontiers in microbiology vol. 10 (2019): 1790. doi: https://doi.org/10.3389/fmicb.2019.01790
Cirri E, De Decker S, Bilcke G, Werner M, Osuna-Cruz CM, De Veylder L, Vandepoele K, Werz O, Vyverman W, Pohnert G. Associated Bacteria Affect Sexual Reproduction by Altering Gene Expression and Metabolic Processes in a Biofilm Inhabiting Diatom. Front Microbiol. 2019 Aug 02;10:1790. doi: 10.3389/fmicb.2019.01790. eCollection 2019. PMID: 31428077; PMCID: PMC6688387.
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