IDBR: Novel Electron-Nuclear Dual Resonance Instrument with Arbitrary Microwave Pulse Shaping to Advance the Structure and Dynamics Study of Biological Systems

X波段（10 GHz）频率的任意脉冲整形模块将被集成到EPR光谱仪中，这将带来前所未有的、根本性的重要进步，包括激发带宽的显着增强、减少当前脉冲EPR仪器过长的死区时间，以及高光谱分辨率傅里叶变换EPR的实验实现。任意形状的微波脉冲的实现也将使下一代定量和时间分辨的Overhauser DNP光谱学能够探测具有位点特异性的蛋白质周围原本不可见的松散结合的水合水的动态。拟议的开发将利用最先进的集成电路组件来生成X波段波形，其幅度和相位可以在运行中以亚纳秒分辨率指定。这种控制，加上无与伦比的，内置的灵活性，商业脉冲EPR光谱仪将提供一个仪器与广泛的质量和能力的新的脉冲EPR和DNP。国家的最先进的EPR光谱仪还没有提供的能力，形成个别脉冲，作为常规的现代NMR和MRI实验25年。这项工作提出，第一次，实现任意形状的脉冲EPR实验中最常用的X波段频率。这一发展有可能大大提高当前脉冲EPR和DNP实验的准确性，时间分辨率和光谱分辨率，使他们能够测量其他方法无法获得的复杂和大型生物系统的结构参数，相互作用和动力学。

An arbitrary pulse shaping module at X-band (10 GHz) frequencies will be integrated into an EPR spectrometer that will lead to unprecedented and fundamentally important advances, including dramatic enhancement of excitation bandwidths, reduction of the prohibitively long dead times of current pulsed EPR instruments, and the experimental realization of Fourier Transform EPR with high spectral resolution. The implementation of arbitrarily shaped microwave pulses will also enable the next generation of quantitative and time-resolved Overhauser DNP spectroscopy to probe the dynamics of the otherwise invisible, loosely bound hydration water around proteins with site specificity. The proposed development will capitalize on state of the art integrated circuit components to generate X-band waveforms, whose amplitude and phase can be specified on the fly with sub-ns resolution. This control, coupled with the unsurpassed, built-in flexibility of a commercial pulsed EPR spectrometer will offer an instrument with a wide range of qualities and capabilities novel to pulsed EPR and DNP.State of the art EPR spectrometers do not yet offer the ability to shape individual pulses, as has routinely been done in modern NMR and MRI experiments for 25 years. This work proposes, for the first time, to implement arbitrarily shaped pulses for EPR experiments at the most commonly used X-band frequencies. This development has the potential to dramatically advance the accuracy, time resolution, and spectral resolution of current pulsed EPR and DNP experiments, allowing them to measure structural parameters, interactions, and dynamics of complex and large biological systems that are inaccessible to other methods.