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Understanding the mechanical limitations of the performance of soft X-ray monochromators at MAX IV laboratory

MAX IV is a fourth-generation, or diffraction-limited, synchrotron light source with a number of state-of-the-art beamlines. The performance of a beamline is, to a high degree, set by the energy resolution it can achieve, which in turn is governed to a large extent by the monochromator. During the design phase of a monochromator, the mechanical requirements must be fully understood and met with margin. During commissioning, the performance must be verified and optimized. In this paper, six soft X-ray monochromators at MAX IV beamlines (Bloch, Veritas, HIPPIE, SPECIES, FinEstBeAMS and SoftiMAX) are examined with a focus on their resolving power, energy range and the time required to change measurement range, as those parameters are dependent on each other. The monochromators have a modern commercial design, planned and developed in close collaboration with the vendors. This paper aims to present the current status of the commissioning at MAX IV with emphasis on elucidating the mechanical limitations on the performance of the monochromators. It contains analysis of the outcome and our approach to achieve fast and high-resolution monochromators.





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X-ray photon correlation spectroscopy of protein dynamics at nearly diffraction-limited storage rings

This study explores the possibility of measuring the dynamics of proteins in solution using X-ray photon correlation spectroscopy (XPCS) at nearly diffraction-limited storage rings (DLSRs). We calculate the signal-to-noise ratio (SNR) of XPCS experiments from a concentrated lysozyme solution at the length scale of the hydrodynamic radius of the protein molecule. We take into account limitations given by the critical X-ray dose and find expressions for the SNR as a function of beam size, sample-to-detector distance and photon energy. Specifically, we show that the combined increase in coherent flux and coherence lengths at the DLSR PETRA IV yields an increase in SNR of more than one order of magnitude. The resulting SNR values indicate that XPCS experiments of biological macromolecules on nanometre length scales will become feasible with the advent of a new generation of synchrotron sources. Our findings provide valuable input for the design and construction of future XPCS beamlines at DLSRs.




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A new small-angle X-ray scattering model for polymer spherulites with a limited lateral size of the lamellar crystals

As is well known, polymers commonly form lamellar crystals, and these assemble further into lamellar stacks and spherulites during quiescent crystallization. Fifty years ago, Vonk and Kortleve constructed the classical small-angle X-ray scattering theory (SAXS) for a lamellar system, in which it was assumed that the lamellar stack had an infinite lateral size [Vonk & Kortleve (1967), Kolloid Z. Z. Polym. 220, 19–24]. Under this assumption, only crystal planes satisfying the Bragg condition can form strong scattering, and the scattering from the lamellar stack arises from the difference between the scattering intensities in the amorphous and crystalline layers, induced by the incident X-ray beam. This assumption is now deemed unreasonable. In a real polymer spherulite, the lamellar crystal commonly has dimensions of only a few hundred nanometres. At such a limited lateral size, lamellar stacks in a broad orientation have similar scattering, so interference between these lamellar stacks must be considered. Scattering from lamellar stacks parallel to the incident X-ray beam also needs to be considered when total reflection occurs. In this study, various scattering contributions from lamellar stacks in a spherulite are determined. It is found that, for a limited lateral size, the scattering induced by the incident X-ray beam is not the main origin of SAXS. It forms double peaks, which are not observed in real scattering because of destructive interference between the lamellar stacks. The scattering induced by the evanescent wave is the main origin. It can form a similar interference pattern to that observed in a real SAXS measurement: a Guinier region in the small-q range, a signal region in the intermediate-q range and a Porod region in the high-q range. It is estimated that, to avoid destructive interference, the lateral size needs to be greater than 11 µm, which cannot be satisfied in a real lamellar system. Therefore, SAXS in a real polymer system arises largely from the scattering induced by the evanescent wave. Evidence for the existence of the evanescent wave was identified in the scattering of isotactic polypropyl­ene. This study corrects a long-term misunderstanding of SAXS in a polymer lamellar system.




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Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media

The photovoltaic perovskite, methyl­ammonium lead triiodide [CH3NH3PbI3 (MAPbI3)], is one of the most efficient materials for solar energy conversion. Various kinds of chemical and physical modifications have been applied to MAPbI3 towards better understanding of the relation between composition, structure, electronic properties and energy conversion efficiency of this material. Pressure is a particularly useful tool, as it can substantially reduce the interatomic spacing in this relatively soft material and cause significant modifications to the electronic structure. Application of high pressure induces changes in the crystal symmetry up to a threshold level above which it leads to amorphization. Here, a detailed structural study of MAPbI3 at high hydro­static pressures using Ne and Ar as pressure transmitting media is reported. Single-crystal X-ray diffraction experiments with synchrotron radiation at room temperature in the 0–20 GPa pressure range show that atoms of both gaseous media, Ne and Ar, are gradually incorporated into MAPbI3, thus leading to marked structural changes of the material. Specifically, Ne stabilizes the high-pressure phase of NexMAPbI3 and prevents amorphization up to 20 GPa. After releasing the pressure, the crystal has the composition of Ne0.97MAPbI3, which remains stable under ambient conditions. In contrast, above 2.4 GPa, Ar accelerates an irreversible amorphization. The distinct impacts of Ne and Ar are attributed to differences in their chemical reactivity under pressure inside the restricted space between the PbI6 octahedra.




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Measurement of the horizontal beam emittance of undulator radiation by tandem-double-slit optical system

A tandem-double-slit optical system was constructed to evaluate the practical beam emittance of undulator radiation. The optical system was a combination of an upstream slit (S1) and downstream slit (S2) aligned on the optical axis with an appropriate separation. The intensity distribution after the double slits, I(x1, x2), was measured by scanning S1 and S2 in the horizontal direction. Coordinates having 1/sqrt e intensity were extracted from I(x1, x2), whose contour provided the standard deviation ellipse in the x1–x2 space. I(x1, x2) was converted to the corresponding distribution in the phase space, I(x1, x1'). The horizontal beam emittance was evaluated to be 3.1 nm rad, which was larger than the value of 2.4 nm rad estimated by using ray-tracing. It was found that the increase was mainly due to an increase in beam divergence rather than size.




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Crystal structure of an oxidized mutant of human mitochondrial branched-chain aminotransferase

This study presents the crystal structure of a thiol variant of the human mitochondrial branched-chain aminotransferase protein. Human branched-chain aminotransferase (hBCAT) catalyzes the transamination of the branched-chain amino acids leucine, valine and isoleucine and α-ketoglutarate to their respective α-keto acids and glutamate. hBCAT activity is regulated by a CXXC center located approximately 10 Å from the active site. This redox-active center facilitates recycling between the reduced and oxidized states, representing hBCAT in its active and inactive forms, respectively. Site-directed mutagenesis of the redox sensor (Cys315) results in a significant loss of activity, with no loss of activity reported on the mutation of the resolving cysteine (Cys318), which allows the reversible formation of a disulfide bond between Cys315 and Cys318. The crystal structure of the oxidized form of the C318A variant was used to better understand the contributions of the individual cysteines and their oxidation states. The structure reveals the modified CXXC center in a conformation similar to that in the oxidized wild type, supporting the notion that its regulatory mechanism depends on switching the Cys315 side chain between active and inactive conformations. Moreover, the structure reveals conformational differences in the N-terminal and inter-domain region that may correlate with the inactivated state of the CXXC center.




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Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization

Immunoglobulin E (IgE) plays a central role in the allergic response, in which cross-linking of allergen by Fc∊RI-bound IgE triggers mast cell and basophil degranulation and the release of inflammatory mediators. The high-affinity interaction between IgE and Fc∊RI is a long-standing target for therapeutic intervention in allergic disease. Omalizumab is a clinically approved anti-IgE monoclonal antibody that binds to free IgE, also with high affinity, preventing its interaction with Fc∊RI. All attempts to crystallize the pre-formed complex between the omalizumab Fab and the Fc region of IgE (IgE-Fc), to understand the structural basis for its mechanism of action, surprisingly failed. Instead, the Fab alone selectively crystallized in different crystal forms, but their structures revealed intermolecular Fab/Fab interactions that were clearly strong enough to disrupt the Fab/IgE-Fc complexes. Some of these interactions were common to other Fab crystal structures. Mutations were therefore designed to disrupt two recurring packing interactions observed in the omalizumab Fab crystal structures without interfering with the ability of the omalizumab Fab to recognize IgE-Fc; this led to the successful crystallization and subsequent structure determination of the Fab/IgE-Fc complex. The mutagenesis strategy adopted to achieve this result is applicable to other intractable Fab/antigen complexes or systems in which Fabs are used as crystallization chaperones.




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Research collection of pollen grains given to Smithsonian Tropical Research Institute

The Smithsonian Tropical Research Institute in Panama was recently given a collection of more than 25,000 different pollen grains and spores, each mounted on a microscope slide and labeled according to the plant that produced it. “The collection is worldwide in coverage with an emphasis on plants of the Americas,” explains collection donor Alan Graham, professor emeritus at Kent State University and curator at the Missouri Botanical Garden.

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Baby Boom of Endangered Species at Smithsonian’s National Zoo’s Conservation and Research Center

It was an exciting and busy 24 hours at the National Zoo’s Conservation and Research Center in Front Royal, Va., last week as three births took place just hours apart. On the evening of July 9, a clouded leopard cub was born, followed by a Przewalski’s horse foal and a red panda cub.

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Smithsonian Scientist Discovers Two New Bat Species Hiding in Museum Collections for More Than 150 Years

While studying bats recently at the Academy of Natural Sciences in Philadelphia, Smithsonian mammalogist Kristofer Helgen discovered a new species of flying fox bat from […]

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Smithsonian Names Eva Pell as Under Secretary for Science

Today the Smithsonian Institution announced Eva J. Pell, Senior Vice President for Research and Dean of the Graduate School at Pennsylvania State University, will be the new Under Secretary for Science at the Institution.

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Smithsonian to host online Climate Change conference Sept. 29-Oct. 1

The Smithsonian Center for Education and Museum Studies is hosting “Climate Change,” a three-day, free, education online conference Tuesday, Sept. 29 through Thursday, Oct. 1. This […]

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Smithsonian receives giant squid caught in the Gulf of Mexico

The giant squid was collected during a 60-day scientific study in which NOAA scientists were studying the availability and diversity of sperm whale prey. The squid was caught in a trawl net pulled behind a research vessel at a depth of more than 1,500 feet.

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Roads kill rainforests. Stop them now, say Smithsonian biologists

Determining the locations of future highways and roads in countries with tropical rainforests will be the greatest single factor in influencing future forest loss, fragmentation and degradation. In broad terms, roads can be thought of as the enemies of rainforests. By spreading people out across the forest, roads inherently promote rapid and widespread deforestation.

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The Smithsonian’s National Air and Space Museum opens new Public Observatory on the Mall in Washington, D.C.

The Smithsonian’s National Air and Space Museum has opened a new Public Observatory that contains a 16-inch, 3,000-pound Boller and Chivens telescope, on loan from the Smithsonian Astrophysical Observatory. Through this powerful telescope, museum visitors can now observe the sun (with a special filter), the moon and the brighter stars and planets, such as Venus, Jupiter and Saturn, during daylight hours. Funding for the project was provided by the National Science Foundation.

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Video: Common birds in Washington, D.C. are helping Smithsonian scientists track intensity of the West Nile Virus

Scientists from the Smithsonian Migratory Bird Center at the National Zoo have taken blood samples from thousands of birds and mosquitoes in an effort to track the progress of the West Nile Virus in the eastern United States. Come along in this video as Smithsonian scientists net birds living in downtown Washington, D.C., extract small amounts of blood, and then release them back into the "wild."

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Hall of Human Origins to open at Smithsonian’s Natural History Museum, March 17, 2010

A major new exhibition hall dedicated to the discovery and understanding of human origins will open next year at the Smithsonian's National Museum of Natural History: The David H. Koch Hall of Human Origins

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Smithsonian to lead study on degradation of nearshore coastal habitats of the Chesapeake

Invasive species, contaminants, excessive nutrient's and sediment are just some of the many factors threatening sensitive wetlands and seagrass beds.

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Smithsonian scientists give giant pandas a helping hand at reproduction

Timing was critical because female giant pandas ovulate only once a year. A short period of two to three days around ovulation is the only time she is able to conceive. Gestation typically lasts from 90 to 185 days.

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Meteorite that fell in Lorton, Va., identified by Smithsonian scientists

A meteorite that crashed through the roof of a Lorton, Va., doctors’ office on Monday, Jan. 18, 2010 was recently identified by scientists in the […]

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From the Bay of Bengal, a dinoflagellate makes its way to the Smithsonian

It’s not an exaggeration to say Hedrick was ecstatic when she peered into her inverted phase contrast microscope and found "Amphisolenia quadrispina" floating in her sample. “For 20 years I’ve been hoping to see something like this,” she says.

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Smithsonian ecologists discover forests are growing at a faster rate

A new study published in the Feb. 2 issue of the Proceedings of the National Academy of Sciences indicates that forests in the Eastern United […]

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Remains of William Taylor White (1837-1852) donated to Smithsonian with his coffin and clothing

White, who was a student at Columbian College from Accomack County, Va., died of pneumonia and complications from a mitral heart defect. When his coffin was unearthed, his identity was a deep mystery.

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Clay vessels by Native American potter Jeri Redcorn added to Smithsonian collections

The Caddo people of Arkansas, Louisiana, Texas and Oklahoma have maintained many of their traditional ways and actively work to preserve their unique tribal cultural today. One example is the pottery of Jeri Redcorn.

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Maryland Blue Crab Science at the Smithsonian

Take to the water with this behind-the-scenes video about Maryland blue crab research at the Smithsonian's Environmental Research Center. Fisheries Ecologist Eric Johnson takes viewers on a journey along the Rhode River to show how scientists tag and monitor Maryland blue crabs in the Chesapeake Bay watershed.

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Smithsonian ecologists to examine “dead zones” in Chesapeake Bay with $1.4 million NOAA grant

Breitburg and her team want to determine just how much stress they cause. Over the next five years they will conduct a series of lab and field experiments that examine how diel-cycling hypoxia and the associated acidification affects the growth and disease rates in striped bass, the eastern oyster and other ecologically and economically important Chesapeake Bay species. They will also study the animals’ behavioral responses to these changes.

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Kepler spacecraft used by Smithsonian astronomers to find other earths

The Kepler spacecraft was launched in March of 2009 to study extrasolar planets. One of its major goals is the detection of terrestrial planets in habitable zones.

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Smithsonian bat expert Kristofer Helgen answers common questions about bats

To celebrate a cool Halloween creature--bats--we teamed up with the Smithsonian’s Kristofer Helgen, curator of mammals at the National Museum of Natural History. Here, he answers three commonly asked questions about these winged mammals.

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Harvard-Smithsonian astrophysicist discovers new method to weigh some distant stars

New research by astrophysicist David Kipping has revealed that in some special cases, a star can be weighed directly. Such a star must have a planet orbiting it with a moon orbiting the planet.

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Smithsonian instrument reveals Sun’s innermost corona

An instrument on board NASA's Solar Dynamics Observatory, developed by Smithsonian scientists, is giving unprecedented views of the Sun's innermost corona 24 hours a day, 7 days a week.

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Invasive oriental shrimp found in Chesapeake Bay by Smithsonian scientists

Twenty years ago scientists at the Marine Invasions Lab of the Smithsonian Environmental Research Center in Edgewater, Md., began studying the interactions between native grass […]

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Free, online course in physics offered by the Harvard-Smithsonian Center for Astrophysics

"Physics for the 21st Century," a free, on-line course developed at the Harvard-Smithsonian Center for Astrophysics about current research in physics is now available.

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Smithsonian signs new giant panda agreement with China

The new agreement, effective immediately through Dec. 5, 2015, stipulates that the Smithsonian's National Zoological Park will conduct research in the areas of giant panda breeding and cub behavior.

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New interactive World Wide Telescope tour chronicles career of Harvard-Smithsonian astronomer John Huchra

To honor Harvard-Smithsonian astronomer John Huchra, who passed away in October 2010, his friends and colleagues at the Harvard-Smithsonian Center for Astrophysics have created a […]

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“Billy club” leaf beetle has been hiding in Smithsonian collections since 1959

A new species of Brazilian leaf beetle named Cachiporra extremaglobosa, (which translated means the “extremely globular billy club leaf beetle,”) was recently discovered by scientists at the Smithsonian’s National Museum of Natural History.

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Six orbiting planets sets record for Sun-like stars say Kepler, Smithsonian astronmers

Last week, the Kepler team and CfA astronomers announced the discovery of a system of six transiting planets around one Sun-like star. The previous record holder for the number of transiting planets was three.

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Smithsonian scientists discover seven new species of blenny fish

Using modern genetic analysis, combined with traditional morphology, scientists from the Smithsonian’s National Museum of Natural History and the Ocean Science Foundation have discovered seven […]

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Very Large Baseline Array telescope is helping Smithsonian astronomers remap Milky Way and Andromeda galaxies

Recent work has added dozens of new measurements to star-forming regions in the Milky Way. These measurements have changed the map of the Milky Way, indicating our galaxy has four spiral arms, not two, as previously thought.

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Surprise! Rare animals caught on camera at “Smithsonian WILD!”

Smithsonian WILD! a new Web site from the Smithsonian Conservation Biology Institute designed to showcase the use of motion-triggered 'camera traps' by Smithsonian researchers, has been launched at the Web address siwild.si.edu.

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Smithsonian and MIT to launch online mystery game for middle-shool children

On April 4 the Smithsonian and the Massachusetts Institute of Technology will launch VANISHED, an 8-week online/offline environmental disaster mystery game for middle-school children, meant […]

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Smithsonian researchers help block ship-borne bioinvaders with new screening strategy

To help regulators and engineers develop and test such treatment systems, and ultimately enforce these standards, a team of researchers developed a statistical model to see how to count small, scarce organisms in large volumes of water accurately.

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Smithsonian scientists find declining rainfall is a major influence for migrating birds

“Our results support the idea that environmental conditions on tropical non-breeding areas can influence the departure time for spring migration,” said Colin Studds, a postdoctoral fellow at the Smithsonian Conservation Biology Institute's Migratory Bird Center and lead author of the study.

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Harvard-Smithsonian Center for Astrophysics to own and operate ALMA Vertex Prototype Antenna

The Harvard-Smithsonian Center for Astrophysics has been selected by the National Science Foundation as the recipient of a 12-meter (39-foot) radio antenna designed for submillimeter-wavelength astronomy. The ALMA Vertex Prototype Antenna was one of three antennas built as prototypes for the Atacama Large Millimeter Array, a 66-dish radio observatory currently being constructed in Chile.

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Clouded leopard cubs born at Smithsonian Conservation Biology Institute

Sita (SEE-ta), a 2-year-old female clouded leopard at the Smithsonian Conservation Biology Institute in Front Royal, Va., gave birth to these two cubs on Monday, […]

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Leafsnap, a new mobile app that identifies plants by leaf shape, is launched by Smithsonian and collaborators

In addition to the species name, Leafsnap provides high-resolution photographs and information about the tree's flowers, fruit, seeds and bark—giving the user a comprehensive understanding of the specie

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Methods for calculating species extinction rates overestimate extinction, says Smithsonian scientist

The most widely used methods for calculating species extinction rates are "fundamentally flawed" and overestimate extinction rates by as much as 160 percent, life scientists report May 19 in the journal Nature.

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