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Hydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands†

By You Lu, Z. Lan and W. Thiel

Abstract

<a style="widows: 2; text-transform: none; background-color: #ffffff; text-indent: 0px; margin: 0px; outline-width: 0px; letter-spacing: normal; font: 12px/10px Arial, 'Lucida Grande', Geneva, Verdana, Helvetica, sans-serif; white-space: normal; orphans: 2; float: left; color: #007e8a; clear: left; vertical-align: baseline; word-spacing: 0px; text-decoration: underline; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px; padding: 0px" href="http://onlinelibrary.wiley.com/store/10.1002/anie.201008146/asset/image_m/mcontent.gif?v=1&amp;s=0eea570c0df3e8e5c64578896e98077e4c7b79d9" title="Link to full-size graphical abstract" class="figZoom"><img style="background-color: transparent; margin: 0.5em 1.5em 1.5em 0px; outline-width: 0px; font-size: 12px; vertical-align: bottom; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px; padding: 0px" src="http://onlinelibrary.wiley.com/store/10.1002/anie.201008146/asset/image_n/ncontent.gif?v=1&amp;s=3df5269c411f8fb5a63b9ab76c0e45d86fab750b" alt="Thumbnail image of graphical abstract" title="Thumbnail image of graphical abstract" /></a> <div class="para" style="widows: 2; text-transform: none; background-color: #ffffff; text-indent: 0px; margin: 0px; outline-width: 0px; letter-spacing: normal; font: 12px/10px Arial, 'Lucida Grande', Geneva, Verdana, Helvetica, sans-serif; white-space: normal; orphans: 2; color: #000000; clear: none; vertical-align: baseline; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px; padding: 0px"><p style="line-height: 1.5em; background-color: transparent; margin: 0px 0px 1em; outline-width: 0px; font-size: 1.2em; vertical-align: baseline; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px; padding: 0px"><strong style="background-color: transparent; margin: 0px; outline-width: 0px; font-size: 12px; vertical-align: baseline; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px; padding: 0px">Distinct fates</strong>: For adenine in (dA)<sub style="padding-bottom: 0px; line-height: 0.7em; background-color: transparent; margin: 0px; padding-left: 0.2em; outline-width: 0px; padding-right: 0px; white-space: nowrap; font-size: 0.8em; vertical-align: sub; padding-top: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px">10</sub>, the internal conversion to the ground state is dominated by an S<sub style="padding-bottom: 0px; line-height: 0.7em; background-color: transparent; margin: 0px; padding-left: 0.2em; outline-width: 0px; padding-right: 0px; white-space: nowrap; font-size: 0.8em; vertical-align: sub; padding-top: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px">0</sub>/S<sub style="padding-bottom: 0px; line-height: 0.7em; background-color: transparent; margin: 0px; padding-left: 0.2em; outline-width: 0px; padding-right: 0px; white-space: nowrap; font-size: 0.8em; vertical-align: sub; padding-top: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px">1</sub><span class="Apple-converted-space">&nbsp;</span>conical intersection with a strong out-of-plane deformation of the amino group (left). In (dA)<sub style="padding-bottom: 0px; line-height: 0.7em; background-color: transparent; margin: 0px; padding-left: 0.2em; outline-width: 0px; padding-right: 0px; white-space: nowrap; font-size: 0.8em; vertical-align: sub; padding-top: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px">10</sub>&sdot;(dT)<sub style="padding-bottom: 0px; line-height: 0.7em; background-color: transparent; margin: 0px; padding-left: 0.2em; outline-width: 0px; padding-right: 0px; white-space: nowrap; font-size: 0.8em; vertical-align: sub; padding-top: 0px; border-image: initial; background-origin: initial; background-clip: initial; border-width: 0px">10</sub>, this channel is suppressed by adenine&ndash;thymine hydrogen bonding (right). The excited-state lifetimes of adenine are computed to be ten times longer in DNA strands than in vacuo or in water.</p></div

Topics: DNA, hydrogen bonds, molecular dynamics, photochemistry, semiempirical calculations, 支撑与管理::仿真与模拟, Genes, Electronegativity, Molecular dynamics, mendelevium, Photoionization, Units of heredity, Units of inheritance, DNA, Genetic code, cistron, Thymonucleic acid, Desoxyribonucleic acid, Deoxyribonucleic acid, TNA (Nucleic acid), deoxyribonucleic acids, DNA (Deoxyribonucleic Acid), recombinant DNA, B-DNA, B DNA, B form of DNA, 初现电位, Bonds (chemical), Chemical bonds, Hydrogen bonds, ionisation potential, appearance potential, bond energy, ionization potential, proton affinity, 键能, 电负性, 电离电位, 质子亲合力, 分子力学, Dynamics, Molecular, MD, 光离子化, Photochemical reactions, photochemistry, photoreduction, 光化学, Light--Chemical action, Photolysis (Chemistry), photoassociation, photocatalysis, photochemical hole burning, photoisomerisation, photosensitisation, Actinochemistry
Year: 2011
DOI identifier: 10.1002/anie.201008146/asset/image_m/mcontent.gif
OAI identifier: oai:ir.qibebt.ac.cn:337004/1333
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