Anabaena Sensory Rhodopsin: A biological model system to decipher the quantum mechanics of photochemical reactions through conical intersections

鱼腥藻感觉视紫红质:一种通过圆锥形交叉点破译光化学反应量子力学的生物模型系统

基本信息

  • 批准号:
    259037069
  • 负责人:
  • 金额:
    --
  • 依托单位:
  • 依托单位国家:
    德国
  • 项目类别:
    Research Grants
  • 财政年份:
    2014
  • 资助国家:
    德国
  • 起止时间:
    2013-12-31 至 2018-12-31
  • 项目状态:
    已结题

项目摘要

The ultrafast photo-induced isomerization of retinal, present in its Schiff base form in photoactive proteins (rhodopsins), is among the most important photo-reactions in Nature as it enables higher and lower living organisms to transform photons into chemical energy. In spite of a sustained and intensive research, only a partial understanding of the reaction mechanism and the role of the protein environment to it are available. One of the major open puzzles is the dramatic differences in the efficiency and time constants of the reaction observed for visual and microbial retinal proteins. In this project, we will investigate the retinal's photophysics and -chemistry in Anabaena Sensory Rhodopsin (ASR) by exploiting new ultrafast coherent non-linear spectroscopy combined with quantum mechanical calculations. ASR offers the ideal experimental and theoretical test ground to clarify this puzzle, since it is possible to compare the photodynamics of two biologically active retinal configurations, cis and trans, within the same protein surroundings. We will focus on a combined experimental and theoretical investigation of the interplay between electronic and vibrational dynamics along the photoreaction. To that end, we will develop and apply state-of-the-art ultrafast spectroscopies based on time-resolved Vibrational Coherence Spectroscopy and 2D Electronic Spectroscopy. Since these methods are highly sensitive to different molecular degrees of freedom, they will allow a complete mapping of the evolution of populations and coherences (electronic and vibrational) during the non-adiabatic photoisomerization of ASR. Quantum chemical simulations based on innovative excited state trajectory computations will be developed and applied to quantitatively understand the molecular reaction, including the identification of the vibrational modes contributing to the reaction coordinate and the mechanisms that control the reaction yields.
超快光诱导的视黄醛异构化,以其席夫碱形式存在于光活性蛋白(视紫红质)中,是自然界中最重要的光反应之一,因为它使高等和低等生物体能够将光子转化为化学能。尽管人们对此进行了持续而深入的研究,但对反应机理和蛋白质环境对反应的作用只有部分的了解。其中一个主要的开放性难题是观察到的视觉和微生物视网膜蛋白的反应效率和时间常数的巨大差异。在这个项目中,我们将利用新的超快相干非线性光谱结合量子力学计算来研究鱼腥藻感觉视紫红质(ASR)中视网膜的光物理和光化学。ASR提供了理想的实验和理论测试基础,以澄清这个难题,因为它是可能的,比较光动力学的两个生物活性视网膜配置,顺式和反式,在相同的蛋白质环境。我们将集中在一个结合的实验和理论研究之间的相互作用的电子和振动动力学沿着光反应。为此,我们将开发和应用基于时间分辨振动相干光谱和二维电子光谱的最先进的超快光谱。由于这些方法是高度敏感的不同分子的自由度,它们将允许一个完整的映射过程中的非绝热光异构化ASR的人口和凝聚力(电子和振动)的演变。基于创新的激发态轨迹计算的量子化学模拟将被开发和应用于定量地理解分子反应,包括识别有助于反应坐标的振动模式和控制反应产率的机制。

项目成果

期刊论文数量(5)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin.
蛋白质的 pH 依赖性吸收光谱:鱼腥藻感觉视紫红质的最小静电模型
Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad.
  • DOI:
    10.1039/c8cp03557a
  • 发表时间:
    2017-10
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Elisa Pieri;V. Ledentu;Miquel Huix-Rotllant;N. Ferré
  • 通讯作者:
    Elisa Pieri;V. Ledentu;Miquel Huix-Rotllant;N. Ferré
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Dr. Tiago Buckup的其他文献

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Ligand Binding and Signaling State of Anabaena Sensory Rhodopsin Transducer
鱼腥藻感觉视紫红质传感器的配体结合和信号传导状态
  • 批准号:
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感觉视紫红质 II 中发现的新型光产物的功能及其表征
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  • 财政年份:
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