The proton-conducting material (NH4)4H2(SeO4)3 is examined to check whether its conductivity spectra are sensitive to subtle changes in the crystal structure and proton dynamics caused by external pressure. The AC conductivity was measured using impedance spectroscopy, in the frequency range from 100 Hz to 1 MHz, at temperatures 260 K < T < 400 K and pressures 0.1 MPa < p < 500 MPa. On the basis of the impedance spectra, carefully analyzed at different thermodynamic conditions, the p–T phase diagram of the crystal is constructed. It is found to be linear in the pressure range of the experiment, with the pressure coefficient value dTs/dp = −0.023 K MPa−1. The hydrostatic pressure effect on proton conductivity is also presented and discussed. Measurements of the electrical conductivity versus time were performed at a selected temperature T = 352.3 K and at pressures 0.1 MPa < p < 360 MPa. At fixed thermodynamic conditions (p = 302 MPa, T = 352.3 K), the sluggish solid–solid transformation from low conducting to superionic phase was induced. It is established that the kinetics of this transformation can be described by the Avrami model with an effective Avrami index value of about 4, which corresponds to the classical value associated with the homogeneous nucleation and three-dimensional growth of a new phase.

This work presents the crystal structure determination of two elusive polymorphs of furazidin, an antibacterial agent, employing a combination of crystal structure prediction (CSP) calculations and an NMR crystallography approach. Two previously uncharacterized neat crystal forms, one of which has two symmetry-independent molecules (form I), whereas the other one is a Z' = 1 polymorph (form II), crystallize in P21/c and P1 space groups, respectively, and both are built by different conformers, displaying different intermolecular interactions. It is demonstrated that the usage of either CSP or NMR crystallography alone is insufficient to successfully elucidate the above-mentioned crystal structures, especially in the case of the Z' = 2 polymorph. In addition, cases of serendipitous agreement in terms of 1H or 13C NMR data obtained for the CSP-generated crystal structures different from the ones observed in the laboratory (false-positive matches) are analyzed and described. While for the majority of analyzed crystal structures the obtained agreement with the NMR experiment is indicative of some structural features in common with the experimental structure, the mentioned serendipity observed in exceptional cases points to the necessity of caution when using an NMR crystallography approach in crystal structure determination.

The proton-conducting crystal (NH4)4H2(SeO4)3 is examined to check whether its conductivity spectra and the phase transition to the superprotonic phase are sensitive to subtle changes in the crystal structure and proton dynamics caused by various thermodynamic conditions. It is established that the kinetics of this transformation can be described using the Avrami model with an effective Avrami index value associated with homogeneous nucleation and three-dimensional growth of a new phase.

The synthesis, characterization and study of structures from a series of bi­phenyls substituted at positions 3, 3', 4 and 4' with groups connected to the bi­phenyl core through oxygen atoms are presented here. The molecular conformation is extensively studied both in the solid as well as in the liquid state, and the effect of different actors (such as packing and chain length) on the torsion angle between aromatic rings is analyzed.

Crystal structure and microscopic optical properties of anthracene derivative compounds have been investigated by single-crystal synchrotron X-ray diffraction, laser confocal microscopy and fluorescence lifetime imaging microscopy.

In the title compound, {[Cu(C14H8O4)(C11H10N4O)(H2O)]·1.25H2O}n, the CuII cations are coordinated in a square-pyramidal fashion by trans carboxylate O-atom donors from two diphenate (dip) ligands, trans pyridyl N-atom donors from two bis(4-pyridyl)urea (bpu) ligands, and a ligated water molecule in the apical position. [Cu(H2O)(dip)(bpu)]n coordination polymer layer motifs are oriented parallel to (overline{1}02). These layer motifs display a standard (4,4) rectangular grid topology and stack in an AAA pattern along the a-axis direction to form the full three-dimensional crystal structure of the title compound, mediated by N—H...O and O—H...O hydrogen bonding patterns involving the water molecules of crystallization.

Insights were obtained into the structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV and the phylogeny of the aminotransferase pathway for the biosynthesis of lysine.

This article reports conformational polymorphisms of the EF-hand protein MCFD2 which is involved in glycoprotein transport..

Mycobacterium tuberculosis produces glycogen (also known as α-glucan) to help evade human immunity. This pathogen uses the GlgE pathway to generate glycogen rather than the more well known glycogen synthase GlgA pathway, which is absent in this bacterium. Thus, the building block for this glucose polymer is α-maltose-1-phosphate rather than an NDP-glucose donor. One of the routes to α-maltose-1-phosphate is now known to involve the GlgA homologue GlgM, which uses ADP-glucose as a donor and α-glucose-1-phosphate as an acceptor. To help compare GlgA (a GT5 family member) with GlgM enzymes (GT4 family members), the X-ray crystal structure of GlgM from Mycobacterium smegmatis was solved to 1.9 Å resolution. While the enzymes shared a GT-B fold and several residues responsible for binding the donor substrate, they differed in some secondary-structural details, particularly in the N-terminal domain, which would be expected to be largely responsible for their different acceptor-substrate specificities.

In southeastern Greenland, two rivers of ice named Helheim and Kangerdlugssuaq flow in spurts and starts toward the coast. They are much like any other […]

The post Astrophysical Observatory scientists are monitoring the mysterious movements of glaciers appeared first on Smithsonian Insider.

New observations by the Smithsonian’s Submillimeter Array, a radio telescope atop Mauna Kea in Hawaii, are shedding light on planet formation. The array provides sharp views by combining eight antennas into the equivalent of a single, large telescope. It can resolve details as small as a dime seen from seven miles away.

The post Cosmic “baby photos” of distant solar systems lend insight as to how planets form appeared first on Smithsonian Insider.

There are several hypotheses about how amphibian chytrid has spread around the world, but the trade in amphibians for food, bait, pets and laboratory animals has been identified as the most likely mode of spread

The post Trade in frog legs may spread diseases deadly to amphibians appeared first on Smithsonian Insider.

The stars move quickly because they are very close to each other, separated by only about one-fourth the distance from the Earth to the Moon. As a result, they share strong gravitational forces. They were once farther apart but have spiraled closer together over time. Billions of years from now, they will crash together and merge.

The post At 1,500,000 mph, twin stars in the constellation Cancer win speediest orbit award appeared first on Smithsonian Insider.

The rescue pods will be part of the project’s Amphibian Rescue Center at Summit Municipal Park, which will also include a lab with a quarantine facility.

The post Shipping industry sends help as project in Panama tackles amphibian crisis appeared first on Smithsonian Insider.

Describing a species is a serious undertaking. In the case of T. acutus, Coats and his collaborators documented its microscopic life cycle, conducted extensive DNA analysis and unearthed scientific papers dating back to 1873—when parasitic dinoflagellates were first noted by German scientist Ernst Haeckel.

The post Introducing the parasitic dinoflagellate: Tintinnophagus acutus appeared first on Smithsonian Insider.

The Smithsonian’s National Zoo celebrated the completion of Phase I of Elephant Trails, an innovative and expanded home for Asian elephants, on Sept. 2. Phase […]

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When NASA’s Solar Probe Plus launches before the end of the decade, it will carry a suite of cutting-edge scientific instruments. Only one–the Solar Wind Electrons Alphas and Protons Investigation (SWEAP)–will directly sample the Sun’s outer atmosphere.

The post Center for Astrophysics will play major role in mission to “touch” the Sun appeared first on Smithsonian Insider.

The science-based study will evaluate elephant welfare along a quality continuum, assessing the impact of zoo management practices by looking at the elephants’ responses to differences in practices among zoos.

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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.

The post Harvard-Smithsonian astrophysicist discovers new method to weigh some distant stars appeared first on Smithsonian Insider.

The extrasolar planet GJ 1214b has a radius of about 2.7 times that of the Earth and is about 6.5 times as massive putting it squarely into the class of exoplanets known as super-Earths.

The post Super-earth has an atmosphere, but is it steamy or gassy? appeared first on Smithsonian Insider.

The Martian moons, Phobos and Deimos, may have been the result of a giant impact that sent rocks and debris into orbit around Mars, instead of asteroids that were captured by the planet’s gravity as previously thought.

The post Giant impact may explain origin of Martian moons Phobos and Deimos appeared first on Smithsonian Insider.

"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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Snowflake Study through Photomicrography, 1890 Wilson A. Bentley became fascinated with the crystalline structure of individual snowflakes on his parent’s Vermont farm. By adapting a […]

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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.

The post Harvard-Smithsonian Center for Astrophysics to own and operate ALMA Vertex Prototype Antenna appeared first on Smithsonian Insider.

By compiling and comparing long-term data from stranding records and visual sighting records, both taken from nearly every ocean basin in the world, Pyenson verified that stranding records “faithfully reflect the number of species and the relative abundance” found in live surveys.

The post Stranding records are faithful reflection of live whale and dolphin populations, new study reveals appeared first on Smithsonian Insider.

Five billion years from now, our Milky Way galaxy will collide with the Andromeda galaxy. This will mark a moment of both destruction and creation. The galaxies will lose their separate identities as they merge into one. At the same time, cosmic clouds of gas and dust will smash together, triggering the birth of new stars.

The post The Spitzer Photo Atlas of Galactic “Train Wrecks” appeared first on Smithsonian Insider.

Any adventurer, hiker or backyard naturalist with a camera can help scientists survey and hopefully save the world’s amphibians thanks to a new social networking site that links “citizen scientists” with researchers tracking the decline of amphibians around the globe.

The post Scientists turn to social networking and citizen scientists to help keep track of amphibians appeared first on Smithsonian Insider.

Smithsonian scientists have confirmed that chytridiomycosis, a rapidly spreading amphibian disease, has reached a site near Panama’s Darien region. This was the last area in the entire mountainous neotropics to be free of the disease. This is troubling news for the Panama Amphibian Rescue and Conservation Project, a consortium of nine U.S. and Panamanian institutions that aims to rescue 20 species of frogs in imminent danger of extinction.

The post Deadly amphibian disease detected in the last disease-free region of Central America appeared first on Smithsonian Insider.

This image of lawyer Clarence S. Darrow (center) talking with group of men in Dayton, Tenn., in July 1925 is one of 10 photographs from […]

The post Scopes Trial photographs released on Web by Smithsonian Archives appeared first on Smithsonian Insider.

Kandula, an 8-year-old male Asian elephant at the Smithsonian’s National Zoo, recently demonstrated to researchers for the first time that elephants are capable of insightful problem solving.

The post A first: National Zoo elephant shows insightful problem solving appeared first on Smithsonian Insider.

Humanity's most complex ground-based astronomy observatory, the Atacama Large Millimeter/submillimeter Array (ALMA), has officially opened for astronomers at its 16,500-foot high desert plateau in northern Chile.

The post Center for Astrophysics project gets first look through new ALMA telescope appeared first on Smithsonian Insider.

Reptiles that live near and feed upon amphibians in the tropics may be spreading the deadly amphibian disease Chytridiomycosis (caused by the chytrid fungus Batrachochytrium dedrobatidis), holding and transporting reservoirs of the fungus on their skin.

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Today, Marra is helping launch an Animal Mortality Monitoring Program in Africa intended to serve as an early warning system for emerging infectious diseases that can pass from animal populations into the human population.

The post Uganda park rangers with cell phones may help stop next world influenza epidemic appeared first on Smithsonian Insider.

Observations by the NASA/ESA Hubble Space Telescope have come up with a new class of planet, a waterworld enshrouded by a thick, steamy atmosphere. It’s smaller than Uranus but larger than Earth.

The post Waterworld enshrouded by a thick, steamy atmosphere is new class of planet appeared first on Smithsonian Insider.

The fastest wind ever discovered blowing off a disk around a stellar-mass black hole has been observed by a team of astronomers using NASA’s Chandra X-ray Observatory.

The post Chandra X-ray Observatory clocks stellar wind at 20 million mph appeared first on Smithsonian Insider.

The Sun’s Active Region 1429 has been shooting off flares and coronal mass ejections since it rotated into Earth’s view on March 2, 2012. Two X-class flares have been released overnight, an X1.3 and an X5.4.

The post X-Class flares released by the Sun, March 6, captured by Atmospheric Imaging Assembly appeared first on Smithsonian Insider.

Smithsonian astronomers have joined their colleagues from other observatories in a daring new venture: to photograph the giant black hole at the heart of our Milky Way galaxy.

The post Smithsonian astronomers and colleagues to photograph black hole at our galaxy’s heart appeared first on Smithsonian Insider.

Scientists from the Smithsonian and University of British Columbia have discovered a sensory organ in the chin of rorqual whales that communicates to the brain. It orchestrates the dramatic adjustments needed in jaw position and throat-pouch expansion to make lunge feeding successful

The post Scientists discover sensory organ in baleen whales that choreographs movement of their massive jaws and throat-pouch appeared first on Smithsonian Insider.

Imagine a gas giant planet spanning three times more sky than the Moon looming over the molten landscape of a lava world. This alien vista exists in the newly discovered two-planet system of Kepler-36.

The post Close encounters between planetary systems of Kepler-36 stun astrophysicists appeared first on Smithsonian Insider.

The scientists made the spiders exercise by irritating them with a small paint brush and causing them to move around until they became exhausted. Spiders from the group with palps removed were able to travel 300 percent further than spiders with their palps intact.

The post Weight of genitals reduces physical endurance in male orb web spiders, researchers find appeared first on Smithsonian Insider.

Justin Touchon, post-doctoral fellow at the Smithsonian Tropical Research Institute, discovered that climate change in Panama may be altering frogs’ course of evolution.

The post Climate change may alter amphibian evolution appeared first on Smithsonian Insider.

The Smithsonian Astrophysical Observatory has been awarded a NASA project to build the Tropospheric Emissions: Monitoring of Pollution (TEMPO) instrument. TEMPO will measure North American air pollution, from Mexico City to the Canadian tar/oil sands, and from the Atlantic to the Pacific, hourly and at high spatial resolution.

The post NASA funds Smithsonian Astrophysical Observatory instrument to track North American air pollution appeared first on Smithsonian Insider.

Smithsonian scientists and partners find that technique meant to keep animals and humans safe has opposite effects.

The post Relocating elephants fails to decrease human–wildlife conflict appeared first on Smithsonian Insider.