کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5377110 | 1389380 | 2006 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A structural model for cyanine dyes templated into the minor groove of DNA
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
3,3-Diethylthiadicarbocyanine (DiSC2(5)) is a monocationic dye which forms cofacial dimers that insert into the minor groove of DNA [J. Seifert, R. Conner, S. Kushon, M. Wang, B. Armitage, J. Am. Chem. Soc. 121 (1999) 2987]. These dyes self-assemble into long helical aggregates in AT-rich regions with the dimers aligned in an end-to-end fashion. A model is presented that allows for the construction of large helical aggregates with continuously variable structural parameters. The spectra or excited states are computed using a direct intermediate neglect of differential overlap (INDO) single configuration interaction (SCI) method. Results are reported for both H- and J-type aggregates ranging in size from 2 to 6 dimers. A more approximate model based on transition charge densities enables calculations of larger aggregates. These models are used to derive structural parameters of both H- and J-type aggregates from the available spectral data, resulting in a new structural model for J-type aggregation in these systems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 325, Issue 1, 9 June 2006, Pages 36-47
Journal: Chemical Physics - Volume 325, Issue 1, 9 June 2006, Pages 36-47
نویسندگان
Aimée Tomlinson, Brian Frezza, Matthew Kofke, Miaomiao Wang, Bruce A. Armitage, David Yaron,