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Showing 1 to 12 of 956 entries
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Nonadiabatic dynamics of a truncated indigo model.

Physical chemistry chemical physics : PCCP

Cui G, Thiel W.
PMID: 22872211
Phys Chem Chem Phys. 2012 Sep 21;14(35):12378-84. doi: 10.1039/c2cp41867c. Epub 2012 Aug 08.

Indigo (1) is stable when exposed to ultraviolet light. We employ electronic structure calculations and nonadiabatic trajectory surface-hopping dynamics simulations to study the photoinduced processes and the photoprotection mechanism of an indigo model, bispyrroleindigo (2). Consistent with recent static...

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Cui G, Thiel W. Nonadiabatic dynamics of a truncated indigo model. Phys Chem Chem Phys. 2012;14(35):12378-84doi: 10.1039/c2cp41867c.
Cui, G., & Thiel, W. (2012). Nonadiabatic dynamics of a truncated indigo model. Physical chemistry chemical physics : PCCP, 14(35), 12378-84. https://doi.org/10.1039/c2cp41867c
Cui, Ganglong, and Thiel, Walter. "Nonadiabatic dynamics of a truncated indigo model." Physical chemistry chemical physics : PCCP vol. 14,35 (2012): 12378-84. doi: https://doi.org/10.1039/c2cp41867c
Cui G, Thiel W. Nonadiabatic dynamics of a truncated indigo model. Phys Chem Chem Phys. 2012 Sep 21;14(35):12378-84. doi: 10.1039/c2cp41867c. Epub 2012 Aug 08. PMID: 22872211.
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Retinitis Pigmentosa Associated with Glucose-6-Phosphate Dehydrogenase Deficiency.

Cureus

Thiel B, Sharma A, Shaikh S.
PMID: 28948126
Cureus. 2017 Jul 23;9(7):e1506. doi: 10.7759/cureus.1506.

We report a case of new onset retinitis pigmentosa (RP) associated with a glucose-6-phosphate dehydrogenase (G6PD) deficiency in a 63-year-old African-American male who presented with worsening night vision over a period of five years. The pathogenesis of G6PD-mediated oxidative...

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Thiel B, Sharma A, Shaikh S. Retinitis Pigmentosa Associated with Glucose-6-Phosphate Dehydrogenase Deficiency. Cureus. 2017;9(7):e1506doi: 10.7759/cureus.1506.
Thiel, B., Sharma, A., & Shaikh, S. (2017). Retinitis Pigmentosa Associated with Glucose-6-Phosphate Dehydrogenase Deficiency. Cureus, 9(7), e1506. https://doi.org/10.7759/cureus.1506
Thiel, Bryan, et al. "Retinitis Pigmentosa Associated with Glucose-6-Phosphate Dehydrogenase Deficiency." Cureus vol. 9,7 (2017): e1506. doi: https://doi.org/10.7759/cureus.1506
Thiel B, Sharma A, Shaikh S. Retinitis Pigmentosa Associated with Glucose-6-Phosphate Dehydrogenase Deficiency. Cureus. 2017 Jul 23;9(7):e1506. doi: 10.7759/cureus.1506. PMID: 28948126; PMCID: PMC5608491.
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Using Hilbert transform and classical chains to simulate quantum walks.

Physical review. E

Xiong D, Thiel F, Barkai E.
PMID: 28950452
Phys Rev E. 2017 Aug;96(2):022114. doi: 10.1103/PhysRevE.96.022114. Epub 2017 Aug 08.

We propose a simulation strategy which uses a classical device of linearly coupled chain of springs to simulate quantum dynamics, in particular quantum walks. Through this strategy, we obtain the quantum wave function from the classical evolution. Specially, this...

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Xiong D, Thiel F, Barkai E. Using Hilbert transform and classical chains to simulate quantum walks. Phys Rev E. 2017;96(2):022114doi: 10.1103/PhysRevE.96.022114.
Xiong, D., Thiel, F., & Barkai, E. (2017). Using Hilbert transform and classical chains to simulate quantum walks. Physical review. E, 96(2), 022114. https://doi.org/10.1103/PhysRevE.96.022114
Xiong, Daxing, et al. "Using Hilbert transform and classical chains to simulate quantum walks." Physical review. E vol. 96,2 (2017): 022114. doi: https://doi.org/10.1103/PhysRevE.96.022114
Xiong D, Thiel F, Barkai E. Using Hilbert transform and classical chains to simulate quantum walks. Phys Rev E. 2017 Aug;96(2):022114. doi: 10.1103/PhysRevE.96.022114. Epub 2017 Aug 08. PMID: 28950452.
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Cyclization of an α,β-unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?.

Journal of computational chemistry

Heggen B, Patil M, Thiel W.
PMID: 26373256
J Comput Chem. 2016 Jan 15;37(2):280-5. doi: 10.1002/jcc.24044. Epub 2015 Sep 16.

Density functional theory is used to study the mechanism of the title reaction, one of the first catalytic asymmetric 6π-electrocyclizations observed experimentally. The benzylideneacetone-derived phenyl hydrazone is chosen as model substrate for the cyclization reaction, both in the protonated...

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Heggen B, Patil M, Thiel W. Cyclization of an α,β-unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?. J Comput Chem. 2015;37(2):280-5doi: 10.1002/jcc.24044.
Heggen, B., Patil, M., & Thiel, W. (2016). Cyclization of an α,β-unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?. Journal of computational chemistry, 37(2), 280-5. https://doi.org/10.1002/jcc.24044
Heggen, Berit, et al. "Cyclization of an α,β-unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?." Journal of computational chemistry vol. 37,2 (2016): 280-5. doi: https://doi.org/10.1002/jcc.24044
Heggen B, Patil M, Thiel W. Cyclization of an α,β-unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?. J Comput Chem. 2016 Jan 15;37(2):280-5. doi: 10.1002/jcc.24044. Epub 2015 Sep 16. PMID: 26373256.
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A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins.

Chemistry (Weinheim an der Bergstrasse, Germany)

Ilg MK, Wolf LM, Mantilli L, Farès C, Thiel W, Fürstner A.
PMID: 26211656
Chemistry. 2015 Aug 24;21(35):12279-84. doi: 10.1002/chem.201502160. Epub 2015 Jul 23.

The cyclization of the hydroxy-allene 2 to the tetrahydrofuran 3 catalyzed by the gold-phosphoramidite complex 1, after ionization with an appropriate silver salt AgX, is one of the most striking cases of enantioinversion known to date. The major reason...

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Ilg MK, Wolf LM, Mantilli L, et al. A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry. 2015;21(35):12279-84doi: 10.1002/chem.201502160.
Ilg, M. K., Wolf, L. M., Mantilli, L., Farès, C., Thiel, W., & Fürstner, A. (2015). A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry (Weinheim an der Bergstrasse, Germany), 21(35), 12279-84. https://doi.org/10.1002/chem.201502160
Ilg, Marina K, et al. "A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 21,35 (2015): 12279-84. doi: https://doi.org/10.1002/chem.201502160
Ilg MK, Wolf LM, Mantilli L, Farès C, Thiel W, Fürstner A. A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry. 2015 Aug 24;21(35):12279-84. doi: 10.1002/chem.201502160. Epub 2015 Jul 23. PMID: 26211656.
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Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study.

Physical chemistry chemical physics : PCCP

Escudero D, Thiel W, Champagne B.
PMID: 26149976
Phys Chem Chem Phys. 2015 Jul 15;17(29):18908-12. doi: 10.1039/c5cp01884f.

In this communication we use the density functional theory-based multi-reference configuration interaction (DFT/MRCI) and the second-order algebraic diagrammatic construction (ADC(2)) methods to compute the spectroscopic and second-order nonlinear optical (NLO) properties of Ru(ii)-based NLO-phores. For some of the complexes,...

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Escudero D, Thiel W, Champagne B. Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study. Phys Chem Chem Phys. 2015;17(29):18908-12doi: 10.1039/c5cp01884f.
Escudero, D., Thiel, W., & Champagne, B. (2015). Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study. Physical chemistry chemical physics : PCCP, 17(29), 18908-12. https://doi.org/10.1039/c5cp01884f
Escudero, Daniel, et al. "Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study." Physical chemistry chemical physics : PCCP vol. 17,29 (2015): 18908-12. doi: https://doi.org/10.1039/c5cp01884f
Escudero D, Thiel W, Champagne B. Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study. Phys Chem Chem Phys. 2015 Jul 15;17(29):18908-12. doi: 10.1039/c5cp01884f. PMID: 26149976.
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The effect of changing topography on the coordinated marching of locust nymphs.

PeerJ

Amichay G, Ariel G, Ayali A.
PMID: 27994966
PeerJ. 2016 Dec 13;4:e2742. doi: 10.7717/peerj.2742. eCollection 2016.

Collective motion has traditionally been studied in the lab in homogeneous, obstacle-free environments, with little work having been conducted with changing landscapes or topography. Here, the impact of spatial heterogeneity on the collective motion exhibited by marching desert locust...

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Amichay G, Ariel G, Ayali A. The effect of changing topography on the coordinated marching of locust nymphs. PeerJ. 2016;4:e2742doi: 10.7717/peerj.2742.
Amichay, G., Ariel, G., & Ayali, A. (2016). The effect of changing topography on the coordinated marching of locust nymphs. PeerJ, 4e2742. https://doi.org/10.7717/peerj.2742
Amichay, Guy, et al. "The effect of changing topography on the coordinated marching of locust nymphs." PeerJ vol. 4 (2016): e2742. doi: https://doi.org/10.7717/peerj.2742
Amichay G, Ariel G, Ayali A. The effect of changing topography on the coordinated marching of locust nymphs. PeerJ. 2016 Dec 13;4:e2742. doi: 10.7717/peerj.2742. eCollection 2016. PMID: 27994966; PMCID: PMC5157191.
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Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C.

Chemistry (Weinheim an der Bergstrasse, Germany)

Gliemann BD, Strauss V, Hitzenberger JF, Dral PO, Hampel F, Gisselbrecht JP, Drewello T, Thiel W, Guldi DM, Kivala M.
PMID: 28574611
Chemistry. 2017 Sep 07;23(50):12353-12362. doi: 10.1002/chem.201701625. Epub 2017 Aug 01.

We describe the synthesis as well as the electronic and photophysical characterization of novel N-heterotriangulene derivatives decorated with methoxycarbonyl- and methyl-sulfanyl-substituted dithiafulvenyl moieties. The association of these electron-rich compounds with fullerene C

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Gliemann BD, Strauss V, Hitzenberger JF, et al. Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C. Chemistry. 2017;23(50):12353-12362doi: 10.1002/chem.201701625.
Gliemann, B. D., Strauss, V., Hitzenberger, J. F., Dral, P. O., Hampel, F., Gisselbrecht, J. P., Drewello, T., Thiel, W., Guldi, D. M., & Kivala, M. (2017). Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C. Chemistry (Weinheim an der Bergstrasse, Germany), 23(50), 12353-12362. https://doi.org/10.1002/chem.201701625
Gliemann, Bettina D, et al. "Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 23,50 (2017): 12353-12362. doi: https://doi.org/10.1002/chem.201701625
Gliemann BD, Strauss V, Hitzenberger JF, Dral PO, Hampel F, Gisselbrecht JP, Drewello T, Thiel W, Guldi DM, Kivala M. Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C. Chemistry. 2017 Sep 07;23(50):12353-12362. doi: 10.1002/chem.201701625. Epub 2017 Aug 01. PMID: 28574611.
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α-Radical Phosphines: Synthesis, Structure, and Reactivity.

Angewandte Chemie (International ed. in English)

Gu L, Zheng Y, Haldón E, Goddard R, Bill E, Thiel W, Alcarazo M.
PMID: 28544330
Angew Chem Int Ed Engl. 2017 Jul 17;56(30):8790-8794. doi: 10.1002/anie.201704185. Epub 2017 Jun 23.

A series of phosphines featuring a persistent radical were synthesized in two steps by condensation of dialkyl-/diarylchlorophosphines with stable cyclic (alkyl)(amino)carbenes (cAACs) followed by one-electron reduction of the corresponding cationic intermediates. Structural, spectroscopic, and computational data indicate that the...

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Gu L, Zheng Y, Haldón E, et al. α-Radical Phosphines: Synthesis, Structure, and Reactivity. Angew Chem Int Ed Engl. 2017;56(30):8790-8794doi: 10.1002/anie.201704185.
Gu, L., Zheng, Y., Haldón, E., Goddard, R., Bill, E., Thiel, W., & Alcarazo, M. (2017). α-Radical Phosphines: Synthesis, Structure, and Reactivity. Angewandte Chemie (International ed. in English), 56(30), 8790-8794. https://doi.org/10.1002/anie.201704185
Gu, Lianghu, et al. "α-Radical Phosphines: Synthesis, Structure, and Reactivity." Angewandte Chemie (International ed. in English) vol. 56,30 (2017): 8790-8794. doi: https://doi.org/10.1002/anie.201704185
Gu L, Zheng Y, Haldón E, Goddard R, Bill E, Thiel W, Alcarazo M. α-Radical Phosphines: Synthesis, Structure, and Reactivity. Angew Chem Int Ed Engl. 2017 Jul 17;56(30):8790-8794. doi: 10.1002/anie.201704185. Epub 2017 Jun 23. PMID: 28544330.
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Inferior parietal transcranial direct current stimulation with training improves cognition in anomic Alzheimer's disease and frontotemporal dementia.

Alzheimer's & dementia (New York, N. Y.)

Roncero C, Kniefel H, Service E, Thiel A, Probst S, Chertkow H.
PMID: 29067331
Alzheimers Dement (N Y). 2017 Mar 24;3(2):247-253. doi: 10.1016/j.trci.2017.03.003. eCollection 2017 Jun.

INTRODUCTION: We evaluated whether transcranial direct current stimulation (tDCS) can improve picture-naming abilities in subjects with anomic Alzheimer or frontotemporal dementias.METHODS: Using a double-blind crossover design, 10 participants were trained on picture naming over a series of 10 sessions...

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Roncero C, Kniefel H, Service E, et al. Inferior parietal transcranial direct current stimulation with training improves cognition in anomic Alzheimer's disease and frontotemporal dementia. Alzheimers Dement (N Y). 2017;3(2):247-253doi: 10.1016/j.trci.2017.03.003.
Roncero, C., Kniefel, H., Service, E., Thiel, A., Probst, S., & Chertkow, H. (2017). Inferior parietal transcranial direct current stimulation with training improves cognition in anomic Alzheimer's disease and frontotemporal dementia. Alzheimer's & dementia (New York, N. Y.), 3(2), 247-253. https://doi.org/10.1016/j.trci.2017.03.003
Roncero, Carlos, et al. "Inferior parietal transcranial direct current stimulation with training improves cognition in anomic Alzheimer's disease and frontotemporal dementia." Alzheimer's & dementia (New York, N. Y.) vol. 3,2 (2017): 247-253. doi: https://doi.org/10.1016/j.trci.2017.03.003
Roncero C, Kniefel H, Service E, Thiel A, Probst S, Chertkow H. Inferior parietal transcranial direct current stimulation with training improves cognition in anomic Alzheimer's disease and frontotemporal dementia. Alzheimers Dement (N Y). 2017 Mar 24;3(2):247-253. doi: 10.1016/j.trci.2017.03.003. eCollection 2017 Jun. PMID: 29067331; PMCID: PMC5651421.
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Regulation of Three Nitrogenase Gene Clusters in the Cyanobacterium Anabaena variabilis ATCC 29413.

Life (Basel, Switzerland)

Thiel T, Pratte BS.
PMID: 25513762
Life (Basel). 2014 Dec 11;4(4):944-67. doi: 10.3390/life4040944.

The filamentous cyanobacterium Anabaena variabilis ATCC 29413 fixes nitrogen under aerobic conditions in specialized cells called heterocysts that form in response to an environmental deficiency in combined nitrogen. Nitrogen fixation is mediated by the enzyme nitrogenase, which is very...

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Thiel T, Pratte BS. Regulation of Three Nitrogenase Gene Clusters in the Cyanobacterium Anabaena variabilis ATCC 29413. Life (Basel). 2014;4(4):944-67doi: 10.3390/life4040944.
Thiel, T., & Pratte, B. S. (2014). Regulation of Three Nitrogenase Gene Clusters in the Cyanobacterium Anabaena variabilis ATCC 29413. Life (Basel, Switzerland), 4(4), 944-67. https://doi.org/10.3390/life4040944
Thiel, Teresa, and Pratte, Brenda S. "Regulation of Three Nitrogenase Gene Clusters in the Cyanobacterium Anabaena variabilis ATCC 29413." Life (Basel, Switzerland) vol. 4,4 (2014): 944-67. doi: https://doi.org/10.3390/life4040944
Thiel T, Pratte BS. Regulation of Three Nitrogenase Gene Clusters in the Cyanobacterium Anabaena variabilis ATCC 29413. Life (Basel). 2014 Dec 11;4(4):944-67. doi: 10.3390/life4040944. PMID: 25513762; PMCID: PMC4284476.
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Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.

Dalton transactions (Cambridge, England : 2003)

Thiele G, Donsbach C, Riedel R, Marsch M, Harms K, Dehnen S.
PMID: 26605971
Dalton Trans. 2016 Apr 14;45(14):5958-67. doi: 10.1039/c5dt03996g. Epub 2015 Nov 25.

The syntheses of the first molecular meta-selenidomercurate(ii), ortho-telluridothallate(iii) and a hydrate of an ortho-selenidoplubate(iv) are presented alongside an improved and facile synthesis of the selenidobismuthate(iii) with almost quantitative yields. By means of quantum chemical calculations, the energetics of the...

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Thiele G, Donsbach C, Riedel R, et al. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton Trans. 2015;45(14):5958-67doi: 10.1039/c5dt03996g.
Thiele, G., Donsbach, C., Riedel, R., Marsch, M., Harms, K., & Dehnen, S. (2016). Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 45(14), 5958-67. https://doi.org/10.1039/c5dt03996g
Thiele, G, et al. "Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion." Dalton transactions (Cambridge, England : 2003) vol. 45,14 (2016): 5958-67. doi: https://doi.org/10.1039/c5dt03996g
Thiele G, Donsbach C, Riedel R, Marsch M, Harms K, Dehnen S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton Trans. 2016 Apr 14;45(14):5958-67. doi: 10.1039/c5dt03996g. Epub 2015 Nov 25. PMID: 26605971.
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Showing 1 to 12 of 956 entries