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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography

The crystal structure of the trans-acyltransferase (AT) from the disorazole polyketide synthase (PKS) was determined at room temperature to a resolution of 2.5 Å using a new method for sample delivery directly into an X-ray free-electron laser. A novel sample extractor efficiently delivered limited quantities of microcrystals directly from the native crystallization solution into the X-ray beam at room temperature. The AT structure revealed important catalytic features of this core PKS enzyme, including the occurrence of conformational changes around the active site. The implications of these conformational changes on polyketide synthase reaction dynamics are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography

Chromophores absorb light in photosensitive proteins and thereby initiate fundamental biological processes such as photosynthesis, vision and biofluorescence. An important goal in their understanding is the provision of detailed structural descriptions of the ultrafast photochemical events that they undergo, in particular of the excited states that connect chemistry to biological function. Here in this paper we report on the structures of two excited states in the reversibly photoswitchable fluorescent protein rsEGFP2. We populated the states through femtosecond illumination of rsEGFP2 in its non-fluorescent off state and observed their build-up (within less than one picosecond) and decay (on the several picosecond timescale). Using an X-ray free-electron laser, we performed picosecond time-resolved crystallography and show that the hydroxybenzylidene imidazolinone chromophore in one of the excited states assumes a near-canonical twisted configuration halfway between the trans and cis isomers. This is in line with excited-state quantum mechanics/molecular mechanics and classical molecular dynamics simulations. Our new understanding of the structure around the twisted chromophore enabled the design of a mutant that displays a twofold increase in its off-to-on photoswitching quantum yield.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data

The X-ray free-electron laser (XFEL) allows the analysis of small weakly diffracting protein crystals, but has required very many crystals to obtain good data. Here we use an XFEL to determine the room temperature atomic structure for the smallest cytoplasmic polyhedrosis virus polyhedra yet characterized, which we failed to solve at a synchrotron. These protein microcrystals, roughly a micron across, accrue within infected cells. We use a new physical model for XFEL diffraction, which better estimates the experimental signal, delivering a high-resolution XFEL structure (1.75 Å), using fewer crystals than previously required for this resolution. The crystal lattice and protein core are conserved compared with a polyhedrin with less than 10% sequence identity. We explain how the conserved biological phenotype, the crystal lattice, is maintained in the face of extreme environmental challenge and massive evolutionary divergence. Our improved methods should open up more challenging biological samples to XFEL analysis.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Time-resolved serial femtosecond crystallography at the European XFEL

The European XFEL (EuXFEL) is a 3.4-km long X-ray source, which produces femtosecond, ultrabrilliant and spatially coherent X-ray pulses at megahertz (MHz) repetition rates. This X-ray source has been designed to enable the observation of ultrafast processes with near-atomic spatial resolution. Time-resolved crystallographic investigations on biological macromolecules belong to an important class of experiments that explore fundamental and functional structural displacements in these molecules. Due to the unusual MHz X-ray pulse structure at the EuXFEL, these experiments are challenging. In this paper, we demonstrate how a biological reaction can be followed on ultrafast timescales at the EuXFEL. We investigate the picosecond time range in the photocycle of photoactive yellow protein (PYP) with MHz X-ray pulse rates. We show that difference electron density maps of excellent quality can be obtained. The results connect the previously explored femtosecond PYP dynamics to timescales accessible at synchrotrons. This opens the door to a wide range of time-resolved studies at the EuXFEL.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Three-dimensional analysis by serial sectioning of cubic zirconia sinters

Three-dimensional electron backscatter diffraction technique was used for the characterization of grain boundary geometry and pore morphology in cubic zirconia. A set of three samples composed of cubic yttria stabilized zirconia, sintered under different conditions was investigated. Analysis of grain boundaries and pore structure was carried out in a dual-beam scanning electron microscope. For each sample, a volume of 15·10{sup 3} μm{sup 3} was investigated. The results of three-dimensional microstructure analysis were compared to the results derived from regular, two-dimensional maps of the area of 2500 µm{sup 2}. Based on two-dimensional and three-dimensional data the average grain diameter, number of grains, average number of neighbors and porosity were calculated. The average grain diameter varied in the range from 2.39 µm to 2.91 µm and from 3.00 µm to 3.79 µm, while the level of porosity varied in the range from 1.22% to 1.77% and from 1.30% to 5.61% for two-dimensional and three-dimensional data, respectively. The analysis of grain boundary networks revealed a strong dependence between grain boundary density and sample preparation parameters. The parameters of the sintering process affected also the size and distribution of pores. The comparison of the results of 2D and 3D materials characterization revealed significant differences in the values of calculated microstructure parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

100 Gb/s High Throughput Serial Protocol (HTSP) for data acquisition systems with interleaved streaming

Demands on Field-Programmable Gate Array (FPGA) data transport have been increasing over the years as frame sizes and refresh rates increase. As the bandwidths requirements increase the ability to implement data transport protocol layers using "soft" programmable logic becomes harder and start to require harden IP blocks implementation. To reduce the number of physical links and interconnects, it is common for data acquisition systems to require interleaving of streams on the same link (e.g. streaming data and streaming register access). Further, this paper presents a way to leverage existing FPGA harden IP blocks to achieve a robust, low latency 100 Gb/s point-to-point link with minimal programmable logic overhead geared towards the needs of data acquisition systems with interleaved streaming requirements.

47 OTHER INSTRUMENTATION↗