Hyper-mobile Water and Raman 2900 cm-1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water.
Hyper-mobile Water and Raman 2900 cm-1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water.
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通过高分辨率光谱和水的 MD 结构特征分析，在双链 DNA 的主链磷酸盐周围观察到超流动水和拉曼 2900 cm-1 峰带。
DOI：
10.1021/acs.jpcb.2c06952
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发表时间：
2023
期刊：
影响因子：
--
通讯作者：
Takahashi,Satoshi
中科院分区：
文献类型：
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作者：
Suzuki,Makoto;Tsuchiko,Akira;Tanaka,Yoshiyuki;Matubayasi,Nobuyuki;Mogami,George;Uozumi,Nobuyuki;Takahashi,Satoshi
高分辨率的微波介电弛豫和拉曼光谱测量双链（ds） 10-mer DNA溶液中的水揭示了超流动水（HMW）的存在和一个明显的OH拉伸带出现在2500至3100 cm-1范围内，这里称为LA带，在水的主要OH拉伸带的低波数尾巴。在磷酸盐或三（羟甲基）氨基甲烷（tris）缓冲液中，ds - 10-mer DNA的拉曼散射强度定量表明，每个ds - 10-mer DNA由2000-3000个水分子形成LA带，表明水分子在主磷酸氧原子周围集体OH拉伸振动。添加2 mM mgcl2和2 mM CaCl2后，ds - 10-mer DNA在10 mM TRIS中的LA带强度分别增加和减少30%。在0.14 M KCl的存在下，LA的能带强度和添加Mg（II）或Ca（II）离子对能带强度的影响保持不变；然而，由二价阳离子引起的变化减少了一半。对ds - 10-mer DNA主磷酸基团周围水分子的分子动力学计算表明存在高密度水和广泛的水密度波动区域，表明它们分别对应于HMW和LA带。
High-resolution measurements of microwave dielectric relaxation and Raman spectroscopies for waters in double-stranded (ds) 10-mer DNA solution revealed the presence of hyper-mobile water (HMW) and a marked OH stretching band appearing in the range from 2500 to 3100 cm–1, here called the LA band, at the low wavenumber tail of the major OH stretching band of water. Quantitation of the Raman scattering intensity for ds 10-mer DNA in phosphate or tris(hydroxymethyl)aminomethane (TRIS) buffers showed that the LA band was formed by 2000–3000 water molecules per ds 10-mer DNA, indicating collective OH stretching vibrations of water molecules around the backbone phosphate oxygen atoms. The LA band intensity of ds 10-mer DNA in 10 mM TRIS increased and decreased by 30% with the addition of 2 mM MgCl2and 2 mM CaCl2, respectively. The LA band intensity and the effect of adding Mg(II) or Ca(II) ions to the band intensity were maintained in the presence of 0.14 M KCl; however, the changes induced by the divalent cations were reduced by half. Molecular dynamics calculations of water molecules around the backbone phosphate groups of ds 10-mer DNA indicate the presence of high-density water and broad regions of fluctuating water density, suggesting that they correspond to HMW and the LA band, respectively.