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Mechanistic Computational Models of Epithelial Cell Transporters-the Adorned Heroes of Pharmacokinetics.

Frontiers in pharmacology

King J, Giselbrecht S, Truckenmüller R, Carlier A.
PMID: 34803720
Front Pharmacol. 2021 Nov 04;12:780620. doi: 10.3389/fphar.2021.780620. eCollection 2021.

Epithelial membrane transporter kinetics portray an irrefutable role in solute transport in and out of cells. Mechanistic models are used to investigate the transport of solutes at the organ, tissue, cell or membrane scale. Here, we review the recent...

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King J, Giselbrecht S, Truckenmüller R, et al. Mechanistic Computational Models of Epithelial Cell Transporters-the Adorned Heroes of Pharmacokinetics. Front Pharmacol. 2021;12:780620doi: 10.3389/fphar.2021.780620.
King, J., Giselbrecht, S., Truckenmüller, R., & Carlier, A. (2021). Mechanistic Computational Models of Epithelial Cell Transporters-the Adorned Heroes of Pharmacokinetics. Frontiers in pharmacology, 12780620. https://doi.org/10.3389/fphar.2021.780620
King, Jasia, et al. "Mechanistic Computational Models of Epithelial Cell Transporters-the Adorned Heroes of Pharmacokinetics." Frontiers in pharmacology vol. 12 (2021): 780620. doi: https://doi.org/10.3389/fphar.2021.780620
King J, Giselbrecht S, Truckenmüller R, Carlier A. Mechanistic Computational Models of Epithelial Cell Transporters-the Adorned Heroes of Pharmacokinetics. Front Pharmacol. 2021 Nov 04;12:780620. doi: 10.3389/fphar.2021.780620. eCollection 2021. PMID: 34803720; PMCID: PMC8599978.
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Quinone-based, redox-active resorcin[4]arene cavitands.

Angewandte Chemie (International ed. in English)

Pochorovski I, Boudon C, Gisselbrecht JP, Ebert MO, Schweizer WB, Diederich F.
PMID: 22083938
Angew Chem Int Ed Engl. 2012 Jan 02;51(1):262-6. doi: 10.1002/anie.201106031. Epub 2011 Nov 14.

No abstract available.

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Pochorovski I, Boudon C, Gisselbrecht JP, et al. Quinone-based, redox-active resorcin[4]arene cavitands. Angew Chem Int Ed Engl. 2011;51(1):262-6doi: 10.1002/anie.201106031.
Pochorovski, I., Boudon, C., Gisselbrecht, J. P., Ebert, M. O., Schweizer, W. B., & Diederich, F. (2012). Quinone-based, redox-active resorcin[4]arene cavitands. Angewandte Chemie (International ed. in English), 51(1), 262-6. https://doi.org/10.1002/anie.201106031
Pochorovski, Igor, et al. "Quinone-based, redox-active resorcin[4]arene cavitands." Angewandte Chemie (International ed. in English) vol. 51,1 (2012): 262-6. doi: https://doi.org/10.1002/anie.201106031
Pochorovski I, Boudon C, Gisselbrecht JP, Ebert MO, Schweizer WB, Diederich F. Quinone-based, redox-active resorcin[4]arene cavitands. Angew Chem Int Ed Engl. 2012 Jan 02;51(1):262-6. doi: 10.1002/anie.201106031. Epub 2011 Nov 14. PMID: 22083938.
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Photovoltaic devices from fullerene--oligophenyleneethynylene conjugates.

Chemphyschem : a European journal of chemical physics and physical chemistry

Gu T, Tsamouras D, Melzer C, Krasnikov V, Gisselbrecht JP, Gross M, Hadziioannou G, Nierengarten JF.
PMID: 12465485
Chemphyschem. 2002 Jan 18;3(1):124-7. doi: 10.1002/1439-7641(20020118)3:1<124::AID-CPHC124>3.0.CO;2-6.

No abstract available.

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Gu T, Tsamouras D, Melzer C, et al. Photovoltaic devices from fullerene--oligophenyleneethynylene conjugates. Chemphyschem. 2002;3(1):124-7doi: 10.1002/1439-7641(20020118)3:1<124::AID-CPHC124>3.0.CO;2-6.
Gu, T., Tsamouras, D., Melzer, C., Krasnikov, V., Gisselbrecht, J. P., Gross, M., Hadziioannou, G., & Nierengarten, J. F. (2002). Photovoltaic devices from fullerene--oligophenyleneethynylene conjugates. Chemphyschem : a European journal of chemical physics and physical chemistry, 3(1), 124-7. https://doi.org/10.1002/1439-7641(20020118)3:1<124::AID-CPHC124>3.0.CO;2-6
Gu, Tao, et al. "Photovoltaic devices from fullerene--oligophenyleneethynylene conjugates." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 3,1 (2002): 124-7. doi: https://doi.org/10.1002/1439-7641(20020118)3:1<124::AID-CPHC124>3.0.CO;2-6
Gu T, Tsamouras D, Melzer C, Krasnikov V, Gisselbrecht JP, Gross M, Hadziioannou G, Nierengarten JF. Photovoltaic devices from fullerene--oligophenyleneethynylene conjugates. Chemphyschem. 2002 Jan 18;3(1):124-7. doi: 10.1002/1439-7641(20020118)3:1<124::AID-CPHC124>3.0.CO;2-6. PMID: 12465485.
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One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.

The Journal of organic chemistry

Jayamurugan G, Finke AD, Gisselbrecht JP, Boudon C, Schweizer WB, Diederich F.
PMID: 24328401
J Org Chem. 2014 Jan 03;79(1):426-31. doi: 10.1021/jo402440m. Epub 2013 Dec 11.

The formal [2 + 2] cycloaddition-retroelectrocyclization reaction was employed as the key transformation to obtain donor-substituted, π-conjugated polycyanohexa-1,3,5-trienes (TCHTs and PCHTs) and polycyanoocta-1,3,5,7-tetraenes from donor-substituted tetracyanobuta-1,3-dienes (TCBDs) and electron-rich alkynes. These push-pull-substituted oligoene chromophores were also accessed in good...

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Jayamurugan G, Finke AD, Gisselbrecht JP, et al. One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions. J Org Chem. 2013;79(1):426-31doi: 10.1021/jo402440m.
Jayamurugan, G., Finke, A. D., Gisselbrecht, J. P., Boudon, C., Schweizer, W. B., & Diederich, F. (2014). One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions. The Journal of organic chemistry, 79(1), 426-31. https://doi.org/10.1021/jo402440m
Jayamurugan, Govindasamy, et al. "One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions." The Journal of organic chemistry vol. 79,1 (2014): 426-31. doi: https://doi.org/10.1021/jo402440m
Jayamurugan G, Finke AD, Gisselbrecht JP, Boudon C, Schweizer WB, Diederich F. One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions. J Org Chem. 2014 Jan 03;79(1):426-31. doi: 10.1021/jo402440m. Epub 2013 Dec 11. PMID: 24328401.
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Cyanobuta-1,3-dienes as novel electron acceptors for photoactive multicomponent systems.

Chemistry (Weinheim an der Bergstrasse, Germany)

Tancini F, Monti F, Howes K, Belbakra A, Listorti A, Schweizer WB, Reutenauer P, Alonso-Gómez JL, Chiorboli C, Urner LM, Gisselbrecht JP, Boudon C, Armaroli N, Diederich F.
PMID: 24339058
Chemistry. 2014 Jan 03;20(1):202-16. doi: 10.1002/chem.201303284. Epub 2013 Dec 12.

The synthesis, electrochemical, and photophysical properties of five multicomponent systems featuring a Zn(II) porphyrin (ZnP) linked to one or two anilino donor-substituted pentacyano- (PCBD) or tetracyanobuta-1,3-dienes (TCBD), with and without an interchromophoric bridging spacer (S), are reported: ZnP-S-PCBD (1),...

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Tancini F, Monti F, Howes K, et al. Cyanobuta-1,3-dienes as novel electron acceptors for photoactive multicomponent systems. Chemistry. 2013;20(1):202-16doi: 10.1002/chem.201303284.
Tancini, F., Monti, F., Howes, K., Belbakra, A., Listorti, A., Schweizer, W. B., Reutenauer, P., Alonso-Gómez, J. L., Chiorboli, C., Urner, L. M., Gisselbrecht, J. P., Boudon, C., Armaroli, N., & Diederich, F. (2014). Cyanobuta-1,3-dienes as novel electron acceptors for photoactive multicomponent systems. Chemistry (Weinheim an der Bergstrasse, Germany), 20(1), 202-16. https://doi.org/10.1002/chem.201303284
Tancini, Francesca, et al. "Cyanobuta-1,3-dienes as novel electron acceptors for photoactive multicomponent systems." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 20,1 (2014): 202-16. doi: https://doi.org/10.1002/chem.201303284
Tancini F, Monti F, Howes K, Belbakra A, Listorti A, Schweizer WB, Reutenauer P, Alonso-Gómez JL, Chiorboli C, Urner LM, Gisselbrecht JP, Boudon C, Armaroli N, Diederich F. Cyanobuta-1,3-dienes as novel electron acceptors for photoactive multicomponent systems. Chemistry. 2014 Jan 03;20(1):202-16. doi: 10.1002/chem.201303284. Epub 2013 Dec 12. PMID: 24339058.
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Push-Pull Buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity.

Chemistry (Weinheim an der Bergstrasse, Germany)

Gawel P, Wu YL, Finke AD, Trapp N, Zalibera M, Boudon C, Gisselbrecht JP, Schweizer WB, Gescheidt G, Diederich F.
PMID: 25765373
Chemistry. 2015 Apr 13;21(16):6215-25. doi: 10.1002/chem.201406583. Epub 2015 Mar 12.

A variety of asymmetrically donor-acceptor-substituted [3]cumulenes (buta-1,2,3-trienes) were synthesized by developed procedures. The activation barriers to rotation ΔG(≠) were measured by variable temperature NMR spectroscopy and found to be as low as 11.8 kcal mol(-1) , in the range...

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Gawel P, Wu YL, Finke AD, et al. Push-Pull Buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity. Chemistry. 2015;21(16):6215-25doi: 10.1002/chem.201406583.
Gawel, P., Wu, Y. L., Finke, A. D., Trapp, N., Zalibera, M., Boudon, C., Gisselbrecht, J. P., Schweizer, W. B., Gescheidt, G., & Diederich, F. (2015). Push-Pull Buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity. Chemistry (Weinheim an der Bergstrasse, Germany), 21(16), 6215-25. https://doi.org/10.1002/chem.201406583
Gawel, Przemyslaw, et al. "Push-Pull Buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 21,16 (2015): 6215-25. doi: https://doi.org/10.1002/chem.201406583
Gawel P, Wu YL, Finke AD, Trapp N, Zalibera M, Boudon C, Gisselbrecht JP, Schweizer WB, Gescheidt G, Diederich F. Push-Pull Buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity. Chemistry. 2015 Apr 13;21(16):6215-25. doi: 10.1002/chem.201406583. Epub 2015 Mar 12. PMID: 25765373.
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Molecular signatures in T-cell lymphoma.

Blood

Gisselbrecht C.
PMID: 20133472
Blood. 2010 Feb 04;115(5):919-20. doi: 10.1182/blood-2009-12-257014.

No abstract available.

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Gisselbrecht C. Molecular signatures in T-cell lymphoma. Blood. 2010;115(5):919-20doi: 10.1182/blood-2009-12-257014.
Gisselbrecht, C. (2010). Molecular signatures in T-cell lymphoma. Blood, 115(5), 919-20. https://doi.org/10.1182/blood-2009-12-257014
Gisselbrecht, Christian. "Molecular signatures in T-cell lymphoma." Blood vol. 115,5 (2010): 919-20. doi: https://doi.org/10.1182/blood-2009-12-257014
Gisselbrecht C. Molecular signatures in T-cell lymphoma. Blood. 2010 Feb 04;115(5):919-20. doi: 10.1182/blood-2009-12-257014. PMID: 20133472.
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Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer.

The Review of scientific instruments

Laksman J, Céolin D, Månsson EP, Sorensen SL, Gisselbrecht M.
PMID: 24387426
Rev Sci Instrum. 2013 Dec;84(12):123113. doi: 10.1063/1.4853435.

The design and performance of a high-resolution momentum-imaging spectrometer for ions which is optimized for experiments using synchrotron radiation is presented. High collection efficiency is achieved by a focusing electrostatic lens; a long drift tube improves mass resolution and...

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Laksman J, Céolin D, Månsson EP, et al. Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer. Rev Sci Instrum. 2013;84(12):123113doi: 10.1063/1.4853435.
Laksman, J., Céolin, D., Månsson, E. P., Sorensen, S. L., & Gisselbrecht, M. (2013). Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer. The Review of scientific instruments, 84(12), 123113. https://doi.org/10.1063/1.4853435
Laksman, J, et al. "Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer." The Review of scientific instruments vol. 84,12 (2013): 123113. doi: https://doi.org/10.1063/1.4853435
Laksman J, Céolin D, Månsson EP, Sorensen SL, Gisselbrecht M. Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer. Rev Sci Instrum. 2013 Dec;84(12):123113. doi: 10.1063/1.4853435. PMID: 24387426.
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Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer library.

The Journal of organic chemistry

Baxter PN, Al Ouahabi A, Gisselbrecht JP, Brelot L, Varnek A.
PMID: 22132764
J Org Chem. 2012 Jan 06;77(1):126-42. doi: 10.1021/jo201595s. Epub 2011 Dec 01.

An isomeric series of dehydro[m]pyrido[n]annulenes incorporating strained 1,4-buta-1,3-diyne units have been synthesized, where m = 2, n = 14 (1a-d); m = 2, n = 15 (2a,b); and m = 3, n = 15 (3). The number of pyridine...

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Baxter PN, Al Ouahabi A, Gisselbrecht JP, et al. Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer library. J Org Chem. 2011;77(1):126-42doi: 10.1021/jo201595s.
Baxter, P. N., Al Ouahabi, A., Gisselbrecht, J. P., Brelot, L., & Varnek, A. (2012). Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer library. The Journal of organic chemistry, 77(1), 126-42. https://doi.org/10.1021/jo201595s
Baxter, Paul N W, et al. "Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer library." The Journal of organic chemistry vol. 77,1 (2012): 126-42. doi: https://doi.org/10.1021/jo201595s
Baxter PN, Al Ouahabi A, Gisselbrecht JP, Brelot L, Varnek A. Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer library. J Org Chem. 2012 Jan 06;77(1):126-42. doi: 10.1021/jo201595s. Epub 2011 Dec 01. PMID: 22132764.
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Experimental and theoretical study of the n-doped successive polyanions of oligocruciform molecular wires: up to five units of charge.

Chemphyschem : a European journal of chemical physics and physical chemistry

Al Ouahabi A, Baxter P, Mathis C, Bernard M, Vileno B, Gisselbrecht JP, Turek P, Mouesca JM, Choua S.
PMID: 23401358
Chemphyschem. 2013 Apr 02;14(5):958-69. doi: 10.1002/cphc.201200848. Epub 2013 Feb 10.

The electronic structure of polyanions of sterically encumbered triisopropylsilyl-substituted linear and cyclic oligo(phenyleneethynylene)s (Monomer, Trimer, Pentamer, and Triangle) is investigated by electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR), and UV/Vis-near-infrared (NIR) spectroscopies, cyclic voltammetry, and theoretical calculations...

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Al Ouahabi A, Baxter P, Mathis C, et al. Experimental and theoretical study of the n-doped successive polyanions of oligocruciform molecular wires: up to five units of charge. Chemphyschem. 2013;14(5):958-69doi: 10.1002/cphc.201200848.
Al Ouahabi, A., Baxter, P., Mathis, C., Bernard, M., Vileno, B., Gisselbrecht, J. P., Turek, P., Mouesca, J. M., & Choua, S. (2013). Experimental and theoretical study of the n-doped successive polyanions of oligocruciform molecular wires: up to five units of charge. Chemphyschem : a European journal of chemical physics and physical chemistry, 14(5), 958-69. https://doi.org/10.1002/cphc.201200848
Al Ouahabi, Abdelaziz, et al. "Experimental and theoretical study of the n-doped successive polyanions of oligocruciform molecular wires: up to five units of charge." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 14,5 (2013): 958-69. doi: https://doi.org/10.1002/cphc.201200848
Al Ouahabi A, Baxter P, Mathis C, Bernard M, Vileno B, Gisselbrecht JP, Turek P, Mouesca JM, Choua S. Experimental and theoretical study of the n-doped successive polyanions of oligocruciform molecular wires: up to five units of charge. Chemphyschem. 2013 Apr 02;14(5):958-69. doi: 10.1002/cphc.201200848. Epub 2013 Feb 10. PMID: 23401358.
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Columnar self-assembly in electron-deficient heterotriangulenes.

Chemistry (Weinheim an der Bergstrasse, Germany)

Kivala M, Pisula W, Wang S, Mavrinskiy A, Gisselbrecht JP, Feng X, Müllen K.
PMID: 23606265
Chemistry. 2013 Jun 17;19(25):8117-28. doi: 10.1002/chem.201300253. Epub 2013 Apr 18.

A series of soluble carbonyl-bridged heterotriangulenes, in which flexible n-dodecyl chains are attached through different spacers to the planar nitrogen-centered polycyclic core, have been synthesized. The introduction of triisopropylsilylethynyl moieties enabled, for the first time, the characterization of single-crystal...

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Kivala M, Pisula W, Wang S, et al. Columnar self-assembly in electron-deficient heterotriangulenes. Chemistry. 2013;19(25):8117-28doi: 10.1002/chem.201300253.
Kivala, M., Pisula, W., Wang, S., Mavrinskiy, A., Gisselbrecht, J. P., Feng, X., & Müllen, K. (2013). Columnar self-assembly in electron-deficient heterotriangulenes. Chemistry (Weinheim an der Bergstrasse, Germany), 19(25), 8117-28. https://doi.org/10.1002/chem.201300253
Kivala, Milan, et al. "Columnar self-assembly in electron-deficient heterotriangulenes." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 19,25 (2013): 8117-28. doi: https://doi.org/10.1002/chem.201300253
Kivala M, Pisula W, Wang S, Mavrinskiy A, Gisselbrecht JP, Feng X, Müllen K. Columnar self-assembly in electron-deficient heterotriangulenes. Chemistry. 2013 Jun 17;19(25):8117-28. doi: 10.1002/chem.201300253. Epub 2013 Apr 18. PMID: 23606265.
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Synthesis of cyano-substituted diaryltetracenes from tetraaryl[3]cumulenes.

Angewandte Chemie (International ed. in English)

Gawel P, Dengiz C, Finke AD, Trapp N, Boudon C, Gisselbrecht JP, Diederich F.
PMID: 24664956
Angew Chem Int Ed Engl. 2014 Apr 22;53(17):4341-5. doi: 10.1002/anie.201402299. Epub 2014 Mar 24.

A versatile, two-step synthesis of highly substituted, cyano-functionalized diaryltetracenes has been developed, starting from easily accessible tetraaryl[3]cumulenes. This unprecedented transformation is initiated by [2+2] cycloaddition of tetracyanoethylene (TCNE) to the proacetylenic central double bond of the cumulenes to give...

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Gawel P, Dengiz C, Finke AD, et al. Synthesis of cyano-substituted diaryltetracenes from tetraaryl[3]cumulenes. Angew Chem Int Ed Engl. 2014;53(17):4341-5doi: 10.1002/anie.201402299.
Gawel, P., Dengiz, C., Finke, A. D., Trapp, N., Boudon, C., Gisselbrecht, J. P., & Diederich, F. (2014). Synthesis of cyano-substituted diaryltetracenes from tetraaryl[3]cumulenes. Angewandte Chemie (International ed. in English), 53(17), 4341-5. https://doi.org/10.1002/anie.201402299
Gawel, Przemyslaw, et al. "Synthesis of cyano-substituted diaryltetracenes from tetraaryl[3]cumulenes." Angewandte Chemie (International ed. in English) vol. 53,17 (2014): 4341-5. doi: https://doi.org/10.1002/anie.201402299
Gawel P, Dengiz C, Finke AD, Trapp N, Boudon C, Gisselbrecht JP, Diederich F. Synthesis of cyano-substituted diaryltetracenes from tetraaryl[3]cumulenes. Angew Chem Int Ed Engl. 2014 Apr 22;53(17):4341-5. doi: 10.1002/anie.201402299. Epub 2014 Mar 24. PMID: 24664956.
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