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1Academic Journal
المؤلفون: Miranda-Salinas, Hector, Rodriguez-Serrano, Angela, Kaminski, Jeremy M., Dinkelbach, Fabian, Hiromichi, Nakagawa, Kusakabe, Yu, Kaji, Hironori, Marian, Christel M., Monkman, Andrew P.
المصدر: The Journal of Physical Chemistry C, 2023, Vol.127(18), pp.8607-8617 [Peer Reviewed Journal]
وصف الملف: application/pdf
Relation: dro:38553; http://dro.dur.ac.uk/38553/; https://doi.org/10.1021/acs.jpcc.2c07529; http://dro.dur.ac.uk/38553/1/38553.pdf
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2Academic Journal
المؤلفون: Kaminski, Jeremy M., Rodríguez-Serrano, Angela, Dinkelbach, Fabian, Miranda-Salinas, Hector, Monkman, Andrew P., Marian, Christel M.
المصدر: Chemical Science, 2022, Vol.13(23) [Peer Reviewed Journal]
وصف الملف: application/pdf
Relation: dro:36532; http://dro.dur.ac.uk/36532/; https://doi.org/10.1039/D1SC07101G; http://dro.dur.ac.uk/36532/1/36532.pdf
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3Academic Journal
المؤلفون: Diaz Uribe, Carlos, Vallejo, William, Florez, Jiress, Trilleras, Jorge, Gutierrez, Margarita, Rodriguez Serrano, Angela, Schott, Eduardo, Zarate, Ximena
مصطلحات موضوعية: Singlet oxygen quenching, Furanyl chalcones, DFT/MRCI, SUBSTITUTED CHALCONES, BIOLOGICAL EVALUATION, ELECTRON-TRANSFER, FLAVONOIDS, ANTIOXIDANT, AURONES, DESIGN, DAMAGE, 03 Good Health and Well-being, 03 Salud y bienestar
وصف الملف: 8 páginas; application/pdf
Relation: https://doi.org/10.1016/j.tet.2020.131248; https://repositorio.uc.cl/handle/11534/79385; WOS:000537423800005
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4Academic Journal
المساهمون: Deutsche Forschungsgemeinschaft
المصدر: Physical Chemistry Chemical Physics ; volume 23, issue 5, page 3668-3678 ; ISSN 1463-9076 1463-9084
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5Academic Journal
المؤلفون: Zárate-Bonilla, Ximena Del Pilar, Rodríguez-Serrano, Ángela, Schott, Eduardo, Tatchen, Joerg
مصطلحات موضوعية: Chemistry, Multidisciplinary
Relation: https://doi.org/10.1002/jcc.26086; 1180565; WOS:000491997900001; https://hdl.handle.net/10533/72374
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6Academic Journal
المؤلفون: Díaz-Uribe, Carlos, Rodríguez-Serrano, Ángela, López, María, Schott, Eduardo, Muñoz, Amner, Zárate-Bonilla, Ximena Del Pilar
مصطلحات موضوعية: Chemistry, Physical, Physics, Atomic, Molecular & Chemical
Relation: https://doi.org/10.1016/j.cplett.2018.11.016; 1180565; WOS:000455097200009; https://hdl.handle.net/10533/72384
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7Academic Journal
المؤلفون: Daza Espinosa, Martha Cecilia, Hernández, Diana Marcela, Rodriguez-Serrano, Angela Susana, Doerr, Markus
المصدر: Revista Colombiana de Química; Vol. 47 Núm. 1 (2018); 64-76 ; Revista Colombiana de Química; v. 47 n. 1 (2018); 64-76 ; Revista Colombiana de Química; Vol. 47 No. 1 (2018); 64-76 ; 2357-3791 ; 0120-2804
مصطلحات موضوعية: Oxoglaucine, phytoalexines, vertical spectrum, DFT/MRCI, TDDFT, Chemistry, physical chemistry, Oxoglaucina, fitoalexinas, Espectro vertical, Química, fisicoquímica
وصف الملف: application/pdf; text/html; application/xml
Relation: https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419/63390; https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419/66556; https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419/66561; Segado, M.; Reguero, M. Mechanism of the photochemical process of singlet oxygen production by phenalenone. Phys. Chem. Chem. Phys. 2011, 13, 4138-4148. DOI: http://dx.doi.org/10.1039/C0CP01827A.; Flors, C.; Nonell, S. Light and singlet oxygen in plant defense against pathogens: phototoxic phenalenone phytoalexins. Acc. Chem. Res. 2006, 39, 293-300. DOI: http://dx.doi.org/10.1021/ar0402863.; Daza, M. C.; Doerr, M.; Salzmann, S.; Marian, C. M.; Thiel, W. Photophysics of phenalenone: quantum-mechanical investigation of singlet-triplet intersystem crossing Phys. Chem. Chem. Phys. 2009, 11, 1688-1696. DOI: http://dx.doi.org/10.1039/b815724c.; Chen, C.-L.; Chang, H.-M.; Cowling, E. B.; Huang Hsu, C.-Y.; Gates, R. P. Aporphine alkaloids and lignans formed in response to injury of sapwood in Liriodendron tulipifera. Phytochemistry 1976, 15, 1161-1167. DOI: http://dx.doi.org/10.1016/0031-9422(76)85122-9.; Chen, Z.-F.; Shi, Y.-F.; Liu, Y.-C.; Hong, X.; Geng, B.; Peng, Y. et al. TCM Active ingredient oxoglaucine metal complexes: crystal structure, cytotoxicity, and interaction with DNA. Inorg. Chem. 2012, 51, 1998–2009. DOI: http://dx.doi.org/10.1021/ic200443p.; Castedo, L.; Suau, R.; Mouriño, A. Oxidación Fotosensibilizada de Alcaloides Aporfínicos. An. Quim. 1977, 73, 290-292.; Hölscher, D.; Schneider, B. Phenalenones from Strelitzia reginae. J. Nat. Prod. 2000, 63, 1027-1028. DOI: http://dx.doi.org/10.1021/np000035c.; Xiao, J.-Z.; Kumazawa, S.; Tomita, H.; Yoshikawa, N.; Kimura, C.; Mikawa, T. Rousselianone A, novel antibiotic related to phenalenone produced by Phaeosphaeria rousseliana. J. Antibiot. 1993, 46, 1570-1574. DOI: http://dx.doi.org/10.7164/antibiotics.46.1570.; Luis, J. G.; Fletcher, W. Q.; Echeverri, F.; Abad, T.; Kishi, M. P.; Perales, A. New Phenalenone-type Phytoalexins from Musa acuminata (Colla AAA) Grand Nain. Nat. Prod. Lett. 1995, 6, 23-30. DOI: http://dx.doi.org/ 10.1080/10575639508044083.; Wu, Z. Y.; Zhou, T. Y.; Xiao, P. G. Xin Hua. Compendium of Materia Medica (I). Shanghai Science & Technology Press: Sahnghai, 1998.; Liu, Y.-C.; Chen, Z.-F.; Shi, Y.-F.; Huang, K.-B.; Geng, B.; Liang, H.; Oxoglaucine-lanthanide complexes: synthesis, crystal structure and cytotoxicity. Anticancer. Res. 2014, 34, 531-536.; Graziose, R.; Rathinasabapathy, T.; Lategan, C.; Poulev, A.; Smith, P. J.; Grace, M. et al. Antiplasmodial activity of aporphine alkaloids and sesquiterpene lactones from Liriodendron tulipifera L. J. Ethnopharmacol. 2011, 133, 26-30. DOI: http://dx.doi.org/ doi:10.1016/j.jep.2010.08.059.; Murov, S. L.; Handbook of photochemistry. M. Dekker, 6th ed. New York, 1993.; Grimme S.; Waletzke, M. A combination of Kohn–Sham density functional theory and multi-reference configuration interaction methods J. Chem. Phys. 1999, 111, 5645-5655. DOI:http://dx.doi.org/10.1063/1.479866.; Furche, F.; Ahlrichs, R. Adiabatic time-dependent density functional methods for excited state properties. J. Chem. Phys. 2002, 117, 7433-7447. DOI: http://dx.doi.org/10.1063/1.1508368.; Schäfer, A.; Huber C.; Ahlrichs, R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. J. Chem. Phys. 1994, 100, 5829-5835. DOI: http://dx.doi.org/ 10.1063/1.467146.; Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 1993, 98, 5648-5652. DOI: http://dx.doi.org/ 10.1063/1.464913.; Dirac, P. A. M. Quantum mechanics of many-electron systems Proc. R. Soc. London, Ser. A. 1929, 123, 714-733.; TURBOMOLE V6.3 2011, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com. (Fecha de consulta 13 de Septiembre de 2017).; Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37, 785-789. DOI: http://dx.doi.org/10.1103/PhysRevB.37.785.; Becke, A. D. A new mixing of Hartree-Fock and local density-functional theories J. Chem. Phys. 1993, 98, 1372-1377. DOI: http://dx.doi.org/10.1063/1.464304.; Rodriguez-Serrano, A.; Daza, M. C.; Doerr, M.; Marian, C. M. A quantum chemical investigation of the electronic structure of thionine. Photochem. Photobiol. Sci. 2012, 11, 397-408. DOI: http://dx.doi.org/10.1039/C1PP05267E.; Mundt, R.; Villnow, T.; Torres Ziegenbein, C.; Gilch, P.; Marian, C. M.; Rai-Constapel, V. Thioxanthone in apolar solvents: Ultrafast internal conversion precedes fast intersystem crossing. Phys. Chem. Chem. Phys. 2016, 18, 6637-6647. DOI: http://dx.doi.org/10.1039/C5CP06849E.; Tatchen, J.; Marian, C. M. Vibronic absorption, fluorescence and phosphorescence spectra of psoralen: A quantum chemical investigation. Phys. Chem. Chem. Phys. 2006, 8, 2133-2144. DOI: http://dx.doi.org/10.1039/b518436c.; Silva-Junior, M. R.; Schreiber, M.; Sauer, S. P. A.; Thiel, W. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction. J. Chem. Phys. 2008, 129, 104103. DOI: http://dx.doi.org/10.1063/1.2973541.; Flors, C.; Prat, C.; Suau, R.; Nájera, F.; Nonell, S. Photochemistry of phytoalexins containing phenalenone-like chromophores: photophysics and singlet oxygen photosensitizing properties of the plant oxoaporphine alkaloid oxoglaucine Photochem. Photobiol. 2005, 81, 120-124. DOI: http://dx.doi.org/10.1562/2004-07-23-RA-243.; Lower, S. K.; El-Sayed, M. A. The triplet state and molecular electronic processes in organic molecules. Chem. Rev. 1966, 66, 199-241. DOI: http://dx.doi.org/10.1021/cr60240a004.; Tatchen, J.; N. Gilka, N.; Marian, C. M. Intersystem crossing driven by vibronic spin–orbit coupling: a case study on psoralen. Phys. Chem. Chem. Phys. 2007, 9, 5209- 5221. DOI: http://dx.doi.org/10.1039/B706410A.; https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419
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8Academic Journal
المؤلفون: Daza Espinosa, Martha Cecilia, Hernández, Diana Marcela, Rodriguez-Serrano, Angela Susana, Doerr, Markus
مصطلحات موضوعية: 54 Química y ciencias afines / Chemistry, Oxoglaucine, phytoalexines, vertical spectrum, DFT/MRCI, TDDFT, Oxoglaucina, fitoalexinas, Espectro vertical
وصف الملف: application/pdf
Relation: https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419; Universidad Nacional de Colombia Revistas electrónicas UN Revista Colombiana de Química; Revista Colombiana de Química; Daza Espinosa, Martha Cecilia and Hernández, Diana Marcela and Rodriguez-Serrano, Angela Susana and Doerr, Markus (2018) Efecto de la estructura molecular sobre el espectro electrónico vertical de la oxoglaucina. Revista Colombiana de Química, 47 (1). pp. 64-76. ISSN 2357-3791; https://repositorio.unal.edu.co/handle/unal/66251; http://bdigital.unal.edu.co/67275/
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9Academic Journal
المؤلفون: Rodriguez-Serrano, Angela, Rai-Constapel, Vidisha, Daza, Martha C., Doerr, Markus, Marian, Christel M.
المساهمون: Deutsche Forschungsgemeinschaft
المصدر: Physical Chemistry Chemical Physics ; volume 17, issue 17, page 11350-11358 ; ISSN 1463-9076 1463-9084
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10Academic Journal
مصطلحات موضوعية: superoxide radical anion, density functional theory, QTAIM, reaction mechanism, proton transfer, 4-pentadiene
Time: 1
وصف الملف: application/pdf
Relation: http://revistas.unal.edu.co/index.php/rcolquim/article/view/42916; Universidad Nacional de Colombia Revistas electrónicas UN Revista Colombiana de Química; Revista Colombiana de Química; Revista Colombiana de Química; Vol. 41, núm. 3 (2012); 409-432 0120-2804; Rodríguez-Serrano, Angela and Daza, Martha and Doerr, Markus and Villaveces, Jose Luis (2012) Proton transfer from 1,4-pentadiene to superoxide radical anion: a qtaim analysis. Revista Colombiana de Química; Vol. 41, núm. 3 (2012); 409-432 0120-2804 .; https://repositorio.unal.edu.co/handle/unal/74503; http://bdigital.unal.edu.co/38980/
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11Academic Journal
المؤلفون: Zárate, Ximena, Schott Verdugo, Stephan, Rodríguez Serrano, Angela, Schott Verdugo, Eduardo Enrique
مصطلحات موضوعية: Matemática física y química, Colorantes - Anàlisis, Celulas solares, Análisis de Fourier
Time: 510
وصف الملف: 12 páginas; application/pdf
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12Dissertation/ Thesis
المؤلفون: Rodríguez Serrano, Ángela
المساهمون: Martín Banderas, Lucía, Universidad de Sevilla. Departamento de Farmacia y Tecnología Farmacéutica
مصطلحات موضوعية: nanopartícula, microagregado, tensión de cizalla, enfermedades cardiovasculares, enfermedades respiratorias
وصف الملف: application/pdf
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13Academic Journal
المؤلفون: Rangel, Jovanni, Díaz-Uribe, Carlos, Rodríguez-Serrano, Ángela, Zárate-B, Ximena, Serge, York, Vallejo, William, Nogueras, Manuel, Trilleras, Jorge, Quiroga, Jairo, Tatchen, Jorg, Cobo, Justo
Relation: 1171118; WOS:000398870900047; https://doi.org/10.1080/19427867.2021.1879623; https://hdl.handle.net/10533/43240
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14Academic Journal
المؤلفون: Zarate, Ximena, Saavedra‐Torres, Mario, Rodriguez‐Serrano, Angela, Gomez, Tatiana, Schott, Eduardo
المساهمون: FONDECYT, Comisión Nacional de Investigación Científica y Tecnológica
المصدر: Journal of Computational Chemistry ; volume 39, issue 11, page 685-698 ; ISSN 0192-8651 1096-987X
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15Academic Journal
المؤلفون: Rodriguez‐Serrano, Angela, Daza, Martha C., Doerr, Markus, Tatchen, Jörg, Marian, Christel M.
المساهمون: Deutsche Forschungsgemeinschaft
المصدر: ChemPhotoChem ; volume 1, issue 10, page 459-469 ; ISSN 2367-0932 2367-0932
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16Academic Journal
المؤلفون: Rangel, Jovanni, Díaz-Uribe, Carlos, Rodriguez-Serrano, Angela, Zarate, Ximena, Serge, York, Vallejo, William, Nogueras, Manuel, Trilleras, Jorge, Quiroga, Jairo, Tatchen, Jörg, Cobo, Justo
المساهمون: Convocatoria Impacto Caribe, FONDECYT, CONICYT-Programa de Cooperación Internacional
المصدر: Journal of Molecular Structure ; volume 1137, page 431-439 ; ISSN 0022-2860
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17Academic Journal
المؤلفون: Zarate, Ximena, Claveria-Cadiz, Francisca, Arias-Olivares, David, Rodriguez-Serrano, Angela, Inostroza, Natalia, Schott, Eduardo
المصدر: Physical Chemistry Chemical Physics ; volume 18, issue 35, page 24239-24251 ; ISSN 1463-9076 1463-9084
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18Academic Journal
المصدر: Journal of Computational Chemistry; 1/15/2020, Vol. 41 Issue 2, p136-146, 11p
مصطلحات موضوعية: SUPRAMOLECULAR chemistry, DENSITY functional theory, CHARGE exchange, DETECTORS, MAGNESIUM ions, METAL ions, ZINC ions
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19Academic Journal
المؤلفون: Diaz-Uribe, Carlos E., Vallejo, William, Castellar, Wilmar, Trilleras, Jorge, Ortiz, Stephanie, Rodriguez-Serrano, Angela, Zarate, Ximena, Quiroga, Jairo
المصدر: RSC Advances ; volume 5, issue 88, page 71565-71572 ; ISSN 2046-2069
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20Academic Journal
المؤلفون: Rodriguez-Serrano, Angela, Rai-Constapel, Vidisha, Daza, Martha C., Doerr, Markus, Marian, Christel M.
المصدر: Photochemical & Photobiological Sciences ; volume 11, issue 12, page 1860-1867 ; ISSN 1474-905X 1474-9092