To investigate the effect of high-energy X-rays on site-specific radiation-damage, low-dose diffraction data were collected from radiation-sensitive crystals of the metal enzyme cytochrome c oxidase. Data were collected at the Structural Biology I beamline (BL41XU) at SPring-8, using 30 keV X-rays and a highly sensitive pixel array detector equipped with a cadmium telluride sensor. The experimental setup of continuous sample translation using multiple crystals allowed the average diffraction weighted dose per data set to be reduced to 58 kGy, and the resulting data revealed a ligand structure featuring an identical bond length to that in the damage-free structure determined using an X-ray free-electron laser. However, precise analysis of the residual density around the ligand structure refined with the synchrotron data showed the possibility of a small level of specific damage, which might have resulted from the accumulated dose of 58 kGy per data set. Further investigation of the photon-energy dependence of specific damage, as assessed by variations in UV-vis absorption spectra, was conducted using an on-line spectrometer at various energies ranging from 10 to 30 keV. No evidence was found for specific radiation damage being energy dependent.

Isle of Mull earthquake compared to low-flying jet  BBC News

Devon braced for aftershocks following earthquake  Devon Live

Fracking: UK shale gas reserves 'significantly lower than previous estimates'  Energy Live News - Energy Made Easy

In the title metal–organic framework, [Fe(C6H8N2)2{Cu(CN)2}2]n, the low-spin FeII ion lies at an inversion centre and displays an elongated octa­hedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethyl­pyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethyl­pyrazine mol­ecule, which form a tetra­hedral coordination environment. Two neighbouring Cu atoms have a short Cu⋯Cu contact [2.4662 (7) Å] and their coordination tetra­hedra are connected through a common edge between two C atoms of cyanide groups. Each Cu2(CN)2 unit, formed by two neighbouring Cu atoms bridged by two carbons from a pair of μ-CN groups, is connected to six FeII centres via two bridging 2-ethyl­pyrazine mol­ecules and four cyanide groups, resulting in the formation of a polymeric three-dimensional metal–organic coordination framework.

The title hydrated mol­ecular salt (systematic name: tetra-n-butyl­ammonium 2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidine-4-carboxyl­ate monohydrate), C16H36N+·C5H3N2O4−·H2O, crystallizes with N—H⋯O and O—H⋯O hydrogen-bonded double-stranded anti­parallel ribbons consisting of the hydro­philic orotate monoanions and water mol­ecules, separated by the bulky hydro­phobic cations. The hydro­phobic and hydro­philic regions of the structure are joined by weaker non-classical C—H⋯O hydrogen bonds. An accurate structure analysis conducted at T = 100 K is compared to a lower-resolution less accurate determination using data measured at T = 295 K. The results of both analyses are evaluated using a knowledge-based approach, and it is found that the less accurate room-temperature structure analysis provides geometric data that are similar to those derived from the accurate low-temperature analysis, with both sets of results consistent with previously analyzed structures. A minor disorder of one methyl group in the cation at low temperature was found to be slightly more complex at room temperature; while still involving a minor fraction of the structure, the disorder at room temperature was found to require a non-routine treatment, which is described in detail.

Serial rotation electron diffraction (SerialRED) has been developed as a fully automated technique for three-dimensional electron diffraction data collection that can run autonomously without human intervention. It builds on the previously established serial electron diffraction technique, in which submicrometre-sized crystals are detected using image processing algorithms. Continuous rotation electron diffraction (cRED) data are collected on each crystal while dynamically tracking the movement of the crystal during rotation using defocused diffraction patterns and applying a set of deflector changes. A typical data collection screens up to 500 crystals per hour, and cRED data are collected from suitable crystals. A data processing pipeline is developed to process the SerialRED data sets. Hierarchical cluster analysis is implemented to group and identify the different phases present in the sample and to find the best matching data sets to be merged for subsequent structure analysis. This method has been successfully applied to a series of zeolites and a beam-sensitive metal–organic framework sample to study its capability for structure determination and refinement. Two multi-phase samples were tested to show that the individual crystal phases can be identified and their structures determined. The results show that refined structures obtained using automatically collected SerialRED data are indistinguishable from those collected manually using the cRED technique. At the same time, SerialRED has lower requirements of expertise in transmission electron microscopy and is less labor intensive, making it a promising high-throughput crystal screening and structure analysis tool.

A combined biophysical approach was applied to map gas-docking sites within murine neuroglobin (Ngb), revealing snapshots of events that might govern activity and dynamics in this unique hexacoordinate globin, which is most likely to be involved in gas-sensing in the central nervous system and for which a precise mechanism of action remains to be elucidated. The application of UV–visible microspectroscopy in crystallo, solution X-ray absorption near-edge spectroscopy and X-ray diffraction experiments at 15–40 K provided the structural characterization of an Ngb photolytic intermediate by cryo-trapping and allowed direct observation of the relocation of carbon monoxide within the distal heme pocket after photodissociation. Moreover, X-ray diffraction at 100 K under a high pressure of dioxygen, a physiological ligand of Ngb, unravelled the existence of a storage site for O2 in Ngb which coincides with Xe-III, a previously described docking site for xenon or krypton. Notably, no other secondary sites were observed under our experimental conditions.

With the emergence of X-ray free-electron lasers, it is possible to investigate the structure of nanoscale samples by employing coherent diffractive imaging in the X-ray spectral regime. In this work, we developed a refinement method for structure reconstruction applicable to low-quality coherent diffraction data. The method is based on the gradient search method and considers the missing region of a diffraction pattern and the small number of detected photons. We introduced an initial estimate of the structure in the method to improve the convergence. The present method is applied to an experimental diffraction pattern of an Xe cluster obtained in an X-ray scattering experiment at the SPring-8 Angstrom Compact free-electron LAser (SACLA) facility. It is found that the electron density is successfully reconstructed from the diffraction pattern with a large missing region, with a good initial estimate of the structure. The diffraction pattern calculated from the reconstructed electron density reproduced the observed diffraction pattern well, including the characteristic intensity modulation in each ring. Our refinement method enables structure reconstruction from diffraction patterns under difficulties such as missing areas and low diffraction intensity, and it is potentially applicable to the structure determination of samples that have low scattering power.

Serial crystallography has enabled the study of complex biological questions through the determination of biomolecular structures at room temperature using low X-ray doses. Furthermore, it has enabled the study of protein dynamics by the capture of atomically resolved and time-resolved molecular movies. However, the study of many biologically relevant targets is still severely hindered by high sample consumption and lengthy data-collection times. By combining serial synchrotron crystallography (SSX) with 3D printing, a new experimental platform has been created that tackles these challenges. An affordable 3D-printed, X-ray-compatible microfluidic device (3D-MiXD) is reported that allows data to be collected from protein microcrystals in a 3D flow with very high hit and indexing rates, while keeping the sample consumption low. The miniaturized 3D-MiXD can be rapidly installed into virtually any synchrotron beamline with only minimal adjustments. This efficient collection scheme in combination with its mixing geometry paves the way for recording molecular movies at synchrotrons by mixing-triggered millisecond time-resolved SSX.

The performance of automated model building in crystal structure determination usually decreases with the resolution of the experimental data, and may result in fragmented models and incorrect side-chain assignment. Presented here are new methods for machine-learning-based docking of main-chain fragments to the sequence and for their sequence-independent connection using a dedicated library of protein fragments. The combined use of these new methods noticeably increases sequence coverage and reduces fragmentation of the protein models automatically built with ARP/wARP.

Electron microscopy of macromolecular structures is an approach that is in increasing demand in the field of structural biology. The automation of image acquisition has greatly increased the potential throughput of electron microscopy. Here, the focus is on the possibilities in Scipion to implement flexible and robust image-processing workflows that allow the electron-microscope operator and the user to monitor the quality of image acquisition, assessing very simple acquisition measures or obtaining a first estimate of the initial volume, or the data resolution and heterogeneity, without any need for programming skills. These workflows can implement intelligent automatic decisions and they can warn the user of possible acquisition failures. These concepts are illustrated by analysis of the well known 2.2 Å resolution β-galactosidase data set.

The phase transition of E-vanillyl oxime {1-[(E)-(hydroxyimino)methyl]-4-hydroxy-3-methoxybenzene, C8H9NO3} has been analysed by single-crystal and powder X-ray diffraction. The high-temperature (HT) phase (P21/a, Z' = 1) transforms into the low-temperature (LT) phase (threefold superstructure, Poverline{1}, Z' = 6) at ca 190 K. The point operations lost on cooling, {m[010], 2[010]}, are retained as twin operations and constitute the twin law. The screw rotations and glide reflections are retained in the LT phase as partial operations acting on a subset of Euclidean space {b E}^3. The full symmetry of the LT phase, including partial operations, is described by a disconnected space groupoid which is built of three connected components.

A scanning soft X-ray spectromicroscope was recently developed based mainly on the photon-in/photon-out measurement scheme for the investigation of local electronic structures on the surfaces and interfaces of advanced materials under conditions ranging from low vacuum to helium atmosphere. The apparatus was installed at the soft X-ray beamline (BL17SU) at SPring-8. The characteristic features of the apparatus are described in detail. The feasibility of this spectromicroscope was demonstrated using soft X-ray undulator radiation. Here, based on these results, element-specific two-dimensional mapping and micro-XAFS (X-ray absorption fine structure) measurements are reported, as well as the observation of magnetic domain structures from using a reference sample of permalloy micro-dot patterns fabricated on a silicon substrate, with modest spatial resolution (e.g. ∼500 nm). Then, the X-ray radiation dose for Nafion® near the fluorine K-edge is discussed as a typical example of material that is not radiation hardened against a focused X-ray beam, for near future experiments.

Single-crystalline-like thin films composed of crystallographically aligned grains are a new prototype of 2D materials developed recently for low-cost and high-performance flexible electronics as well as second-generation high-temperature superconductors. In this work, significant texture improvement in single-crystalline-like materials is achieved through growth of a 330 nm-thick silver layer.

The crystal structure of the mineral malayaite has been studied by single-crystal X-ray diffraction at a temperature of 20 K and by calculation of its phonon dispersion using density functional perturbation theory. The X-ray diffraction data show first-order satellite diffraction maxima at positions q = 0.2606 (8)b*, that are absent at room temperature. The computed phonon dispersion indicates unstable modes associated with dynamic displacements of the Ca atoms. The largest-frequency modulus of these phonon instabilities is located close to a wavevector of q = 0.3b*. These results indicate that the malayaite crystal structure is incommensurately modulated by static displacement of the Ca atoms at low temperatures, caused by the softening of an optic phonon with Bg symmetry.

The crystal structure of malayaite, CaSnOSiO4, at T = 20 K has been refined, based on the presence of satellite reflections with a modulation vector of 0.26b*. The structural modulation is attributed to a soft optic phonon, dominated by motion of the Ca atoms.

It seems the stuff of science fiction, but astronomers have found a real-life “Death Star” that shredded a rocky planet and is swallowing the dusty remains.

The post “Death Star” Shreds, Swallows Dwarf Planet appeared first on Smithsonian Insider.

A roundup of recent articles featuring spiders, bats and rats....

The post A Halloween roundup featuring recent articles on spiders, bats and rats appeared first on Smithsonian Insider.

The awarded film features STRI marine biologist Héctor M. Guzman diving with a group of five whale sharks while traveling in the Tropical Eastern Pacific. In the video, Guzmán tags a radiotransmitter to one of the sharks in order to follow its voyages.

The post Whale sharks featured in award-winning documentary following the work of Tropical Research Institute’s Héctor Guzman appeared first on Smithsonian Insider.

The expanded and remodeled Mathias Laboratory, named in honor of U.S. Senator Charles "Mac" Mathias Jr. (1922-2010) (R-Md.) will have a low environmental impact on all fronts, from where it gets its power to where it gets its materials.

The post New Mathias Lab at Environmental Research Center will have low environmental impact appeared first on Smithsonian Insider.

Gray whales survived many cycles of global cooling and warming over the past few million years, likely by exploiting a more varied diet than they do today, according to a new study by University of California, Berkeley, and Smithsonian Institution paleontologists.

The post Varied diet has allowed gray whales to survive millions of years, study reveals appeared first on Smithsonian Insider.

In 2011, scholars from three institutions—National Museum of American History Curators Carlene Stephens and Shari Stout, Library of Congress Digital Conversion Specialist Peter Alyea and Lawrence Berkeley National Laboratory Scientists Carl Haber and Earl Cornell—came together in a newly designed preservation laboratory at the Library of Congress to recover sound from those recordings made more than 100 years ago.

The post Digital technology allows Alexander Graham Bell’s 1880s disc recordings to be played again appeared first on Smithsonian Insider.

The same device used to detect early warning signs of heart disease in humans will now benefit two male sub-adult gorillas at the Smithsonian’s National Zoo.

The post Heart disease study to benefit lowland gorillas at the National Zoo appeared first on Smithsonian Insider.

Researchers led by David Nesvorny of Southwest Research Institute and David Kipping of the Harvard-Smithsonian Center for Astrophysics has inferred an unseen planet, this time orbiting a distant star, marking the first success of this technique outside the solar system.

The post Unseen planet’s gravity allows Kepler Telescope to “see” it appeared first on Smithsonian Insider.

Researchers from the Smithsonian Tropical Research Institute are recommending that Panama adopt revised traffic patterns and slower speeds for vessels crossing the Gulf of Panama to reduce the risk of collisions between ships and whales.

The post Ships need to slow down for whales in Gulf of Panama, scientists advise appeared first on Smithsonian Insider.

Striking Caribbean sunsets occur when particles in the air scatter incoming sunlight. But a particulate shadow over the sea may have effects underwater. A research […]

The post Human shadow cast over the Caribbean slows coral growth appeared first on Smithsonian Insider.

Recent spectroscopic analysis of macaroni penguin (Eudyptes chrysolophus) crest feathers and king penguin (Aptenodytes patagonicus) neck feathers have shown they contain a yellow pigment that […]

The post Yellow pigment in penguin feathers is chemically distinct, spectroscopic studies reveal appeared first on Smithsonian Insider.

This composite image of a galaxy illustrates how the intense gravity of a super massive black hole can be tapped to generate immense power. The image […]

The post Black-hole powered jets plow into galaxy appeared first on Smithsonian Insider.

As economic expansion and development fragments the forest landscape of central India, the species that rely on that habitat—including endangered tigers and leopards—face dwindling populations […]

The post Forest corridors essential to gene flow in India’s leopard and tiger populations appeared first on Smithsonian Insider.

Scientists have studied bird migration for centuries, but it remains one of nature’s great mysteries. How do birds find their way over long distances between […]

The post Young whoopers stay the course when they follow a wise old bird appeared first on Smithsonian Insider.

Roses, carnations and lilies are today among the most popular flowers people use to express sympathy and condolence. The simple act of sending flowers to […]

The post Funeral flowers in the Stone Age: Q&A with Smithsonian anthropologist Reuven Yeshurun appeared first on Smithsonian Insider.

The largest fully preserved great ape collection in the world is about to make its online debut.

The post Unlocking secrets–technology allows scientists to peer inside great apes appeared first on Smithsonian Insider.

Two worlds orbiting a distant star are about to become a snack of cosmic proportions. Astronomers have announced that the planets Kepler-56b and Kepler-56c will […]

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A new water frog from the Pacific slopes of the Andes in central Peru has been described and named in the open access journal ZooKeys. Telmatobius […]

The post New species of bright-yellow water frog discovered in Peru appeared first on Smithsonian Insider.

For the first time, researchers at the Smithsonian Conservation Biology Institute’s Migratory Bird Center have accurately tracked small migratory ovenbirds (Seiurus aurocapilla) to their tropical […]

The post Miniaturized GPS Tags Allow Tracking of Small Songbirds for first time appeared first on Smithsonian Insider.

California’s Channel Islands are located dozens of miles west of the state’s coast and surrounded by Pacific waters, yet they too are experiencing the same […]

The post Drought slows wildlife reproduction on California’s Channel Islands appeared first on Smithsonian Insider.

Higher acidity in coastal waters can make fish more sensitive to low oxygen, causing them to become debilitated and suffocate in water with oxygen levels […]

The post Acidification, Low Oxygen Can be Deadly Combination for Fish appeared first on Smithsonian Insider.

The center of the Milky Way galaxy is currently a quiet place where a supermassive black hole slumbers, only occasionally slurping small sips of hydrogen […]

The post The Milky Way’s blowout bash 6 million years ago! appeared first on Smithsonian Insider.

Food is scarce in the deep, dark regions of the ocean where barbeled dragonfishes and their relatives dwell. Known as the Stomiidae, some of these […]

The post Odd anatomy: flexible joint between skull and spine allow dragonfish to open wide appeared first on Smithsonian Insider.

Four years after conservationists relocated 570 desert tortoises (Gopherus agassizii) in California from a threatened habitat to a new nearby location, the tortoises outwardly appeared […]

The post Smithsonian Study shows relocated desert tortoises reproduce at lower rate appeared first on Smithsonian Insider.

Imke K. Mandemaker, Di Zhou, Serena T. Bruens, Dick H. Dekkers, Pernette J. Verschure, Raghu R. Edupuganti, Eran Meshorer, Jeroen A. Demmers, and Jurgen A. Marteijn

Many chromatin remodeling and modifying proteins are involved in the DNA damage response by stimulating repair or inducing DNA damage signaling. Interestingly, here we identified that down regulation of the H1-interacting protein SET results in increased resistance to a wide variety of DNA damaging agents. We found that this increased resistance is not the result of an inhibitory effect of SET on DNA repair, but rather the consequence of a suppressed apoptotic response to DNA damage. We further provide evidence that the histone chaperone SET is responsible for the eviction of H1 from chromatin. Knock down of H1 in SET-depleted cells resulted in re-sensitization of cells to DNA damage, suggesting that the increased DNA damage resistance in SET-depleted cells is the result of enhanced retention of H1 on chromatin. Finally, clonogenic survival assays show that SET and p53 are epistatic in attenuating DNA damage-induced cell death. Altogether, our data show a role for SET in the DNA damage response as a regulator of cell survival following genotoxic stress.

The Hope Diamond’s red glow has long been considered a unique property of that stone. Most blue diamonds produce a bluish-white phosphorescence if exposed to ultraviolet light. The few other diamonds known to emit red phosphorescence were commonly assumed to have been from the even larger original stone from which the Hope was cut.

The post Bombarded with ultraviolet light, the blue Hope diamond glows red appeared first on Smithsonian Insider.

Fluorite is well known and prized for its rich variety of colors, most commonly pale green, purple, yellow, orange, blue, pink and colorless. “We acquired this specimen because it is a very nice quality fluorite with an attractive color and it is large enough to be exhibited,” Curator Jeff Post says.

The post Smithsonian’s National Gem Collection acquires a yellow fluorite from Tanzania appeared first on Smithsonian Insider.

Several weeks before it went on display in mid-November at the Smithsonian’s National Museum of Natural History, minerals curator Jeff Post stood in the museum’s […]

The post Colossal diamond’s eerie glow earns it a fiery name appeared first on Smithsonian Insider.

Structural investigations of amorphous and nanocrystalline phases forming in solution are historically challenging. Few methods are capable of in situ atomic structural analysis and rigorous control of the system. A mixed-flow reactor (MFR) is used for total X-ray scattering experiments to examine the short- and long-range structure of phases in situ with pair distribution function (PDF) analysis. The adaptable experimental setup enables data collection for a range of different system chemistries, initial supersaturations and residence times. The age of the sample during analysis is controlled by adjusting the flow rate. Faster rates allow for younger samples to be examined, but if flow is too fast not enough data are acquired to average out excess signal noise. Slower flow rates form older samples, but at very slow speeds particles settle and block flow, clogging the system. Proper background collection and subtraction is critical for data optimization. Overall, this MFR method is an ideal scheme for analyzing the in situ structures of phases that form during crystal growth in solution. As a proof of concept, high-resolution total X-ray scattering data of amorphous and crystalline calcium phosphates and amorphous calcium carbonate were collected for PDF analysis.

Tom Crouch, Senior curator in the National Air and Space Museum's Aeronautics Division, discusses Thaddeus Lowe and the birth of American aerial reconnaissance during the Civil War. This presentation was recorded on May 11, 2011 on the National Mall.

The post Tom Crouch, Senior curator in the National Air and Space Museum’s Aeronautics Division, discusses Thaddeus Lowe and the birth of American aerial reconnaissance appeared first on Smithsonian Insider.

Meet Smithsonian scientist Justin Touchon, a National Science Foundation (NSF) postdoctoral researcher at the Smithsonian Tropical Research Institute in Panama.

Justin's work focuses on developmental ecology and reproductive plasticity of the hourglass treefrog (Dendropsophus ebraccatus) and red-eyed treefrog (Agalychnis callidryas). Justin and his advisor, Karen Warkentin, were the first to have witnessed the frogs laying eggs in water, in addition to doing so on land -- something with major implications for the evolutionary biology of similar creatures.

The post Meet Our Scientist: Justin Touchon, Frog Follower at the Smithsonian Tropical Research Institute in Panama appeared first on Smithsonian Insider.