ULTRAFAST OPTICAL PROCESSES LABORATORY

宾夕法尼亚大学的超快激光资源正在建立生物和生物医学研究中的多维红外光谱技术，包括药物设计。该实验室的组成部分是对先进的二维红外方法的综合、多方面的攻击。每一项研发都在红外线技术的前沿动态演变，它们是相辅相成的。2D IR在生物医学应用中的应用正在显著增加。就在过去的一年里，通过2D IR确定了蛋白质的结构。研发的第一项重点是光触发状态，该技术结合了光学和红外方法，在非平衡动力学过程中获得二维红外结构与时间相关的信息。R&D#2涉及双频2D IR，它将蛋白质和质子通道的两个频率相差很远的模式的激发组合成一个二维谱。研究与开发#3涉及结构确定的专门化，建立在使用2D IR的先前研究的基础上，通过改进方法，特别是针对蛋白质结构在时间尺度上的平衡动力学，这是其他结构方法所无法实现的。包括六个DBF：(1)甲型流感病毒的M2质子通道：通道水的性质(W.F.degrado，UCSF)(2)淀粉样蛋白A40纤维的结构和动力学及其形成动力学(P.Abelson，Upend)(3)构象变化的光触发(A.B.Smith，Upend)(4)推进线性和非线性红外光谱的结构分辨率极限(F.Gai，Upend)(5)通过光触发-IR探针光谱(S.Vinogradov，S.Vinogradov，用2D IR方法和MD模拟(E.Arnold，Rutgers)探索了HLV-1RT/抑制剂复合体的光谱和动力学。该提案还包括七个合作和服务项目，涉及(1)腈和叠氮探针(Breyer)(2)质子化组氨酸(Londergan)(3)淀粉样荧光(Petersson)(4)凝血(Knshnaswamy)(5)激酶模型(Sarkar)(6)淀粉样动力学(DAI)(7)氧气显微镜(Vinogradov)，该资源为用户提供培训，工作广泛传播。

The Ultrafast Laser Resource at the University of Pennsylvania is founding the technoogies for multidimensional infrared spectroscopy in biological and biomedical research including drug design. The components of the laboratory are an integrated multifaceted attack on advancing two dimensional infrared methods. Each TR&D is dynamically evolving at the cutting edge of infrared technology, they are mutually supportive. The utility of 2D IR in biomedical applications is increasing substantially. Just within the last year a protein structure has been determined by 2D IR. TR&D's #1 focuses on phototriggered states, the technology combines optical and infrared methods to obtain 2D IR structural-time dependent information during nonequilibrium dynamical processes. The TR&D #2 concerns dual frequency 2D IR which combines into a two dimensional spectrum the excitation of two modes having widely separated frequencies of proteins and proton channels. TR&D#3 involves a specialization on structure determination, to build on previous studies using 2D IR, by improvements in the methodology that are specifically geared towards the equilibrium dynamics of structures of proteins on time scales that have not been achieved by other structural methods. Six DBF's are included: (1)The M2 proton channel of the Influenza A virus: properties of channel water (W.F. DeGrado, UCSF).(2)The structure and dynamics of amyloid A40 fibrils and their formation kinetics (P. Abelson, Upend) (3) Phototriggering of conformational change (A.B. Smith, Upend)) (4) Pushing the Structural Resolution Limit of Linear and Nonlinear Infrared Spectroscopies (F. Gai, Upend) (5) Radical pair dynamics by optically triggered - IR probe spectroscopy (S. Vinogradov, Upend) (6) Spectroscopy and dynamics of HlV-1 RT/inhibitor complexes probed by 2D IR methods and MD simulations (E. Arnold, Rutgers). The proposal also includes seven Collaborative and Service projects on (1) Nitrile and Azide probes (Brewer) (2) Protonated histidines (Londergan) (3) Amyloid fluorescence (Petersson)(4) Blood coagulation (Knshnaswamy) (5) Kinases models (Sarkar)(6)Amyloid kinetics (Dai) (7) Oxygen microscopy (Vinogradov), The Resource provides training for users, and the work is widely disseminated.