Functional materials are of critical importance to electronic and smart devices. A deep understanding of the structure–property relationship is essential for designing new materials. In this work, instead of utilizing conventional atomic coordinates, a symmetry-mode approach is successfully used to conduct structure refinement of the neutron powder diffraction data of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics. This provides rich structural information that not only clarifies the controversial symmetry assigned to pure AgNbO3 but also explains well the detailed structural evolution of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics, and builds a comprehensive and straightforward relationship between structural distortion and electrical properties. It is concluded that there are four relatively large-amplitude major modes that dominate the distorted Pmc21 structure of pure AgNbO3, namely a Λ3 antiferroelectric mode, a T4+ a−a−c0 octahedral tilting mode, an H2 a0a0c+/a0a0c− octahedral tilting mode and a Γ4− ferroelectric mode. The H2 and Λ3 modes become progressively inactive with increasing x and their destabilization is the driving force behind the composition-driven phase transition between the Pmc21 and R3c phases. This structural variation is consistent with the trend observed in the measured temperature-dependent dielectric properties and polarization–electric field (P-E) hysteresis loops. The mode crystallography applied in this study provides a strategy for optimizing related properties by tuning the amplitudes of the corresponding modes in these novel AgNbO3-based (anti)ferroelectric materials.

The present work reports on the charge and spin density modelling of YTiO3 in its ferromagnetic state (TC = 27 K). Accurate polarized neutron diffraction and high-resolution X-ray diffraction (XRD) experiments were carried out on a single crystal at the ORPHÉE reactor (LLB) and SPRING8 synchrotron source. The experimental data are modelled by the spin resolved pseudo-atomic multipolar model (Deutsch et al., 2012). The refinement strategy is discussed and the result of this electron density modelling is compared with that from XRD measured at 100 K and with density functional theory calculations. The results show that the spin and charge densities around the Ti atom have lobes directed away from the O atoms, confirming the filling of the t2g orbitals of the Ti atom. The dxy orbital is less populated than dxz and dyz, which is a sign of a partial lift of degeneracy of the t2g orbitals. This study confirms the orbital ordering at low temperature (20 K), which is already present in the paramagnetic state above the ferromagnetic transition (100 K).

The class B family of G-protein-coupled receptors (GPCRs) has long been a paradigm for peptide hormone recognition and signal transduction. One class B GPCR, the glucagon-like peptide-1 receptor (GLP-1R), has been considered as an anti-diabetes drug target and there are several peptidic drugs available for the treatment of this overwhelming disease. The previously determined structures of inactive GLP-1R in complex with two negative allosteric modulators include ten thermal-stabilizing mutations that were selected from a total of 98 designed mutations. Here we systematically summarize all 98 mutations we have tested and the results suggest that the mutagenesis strategy that strengthens inter-helical hydro­phobic interactions shows the highest success rate. We further investigate four back mutations by thermal-shift assay, crystallization and molecular dynamic simulations, and conclude that mutation I1962.66bF increases thermal stability intrinsically and that mutation S2714.47bA decreases crystal packing entropy extrinsically, while mutations S1932.63bC and M2333.36bC may be dispensable since these two cysteines are not di­sulfide-linked. Our results indicate intrinsic connections between different regions of GPCR transmembrane helices and the current data suggest a general mutagenesis principle for structural determination of GPCRs and other membrane proteins.

Efficient infiltration of a mesoporous titania matrix with conducting organic polymers or small molecules is one key challenge to overcome for hybrid photovoltaic devices. A quantitative analysis of the backfilling efficiency with time-of-flight grazing incidence small-angle neutron scattering (ToF-GISANS) and scanning electron microscopy (SEM) measurements is presented. Differences in the morphology due to the backfilling of mesoporous titania thin films are compared for the macromolecule poly[4,8-bis­(5-(2-ethyl­hexyl)­thio­phen-2-yl)benzo[1,2-b;4,5-b']di­thio­phene-2,6-diyl-alt-(4-(2-ethyl­hexyl)-3-fluoro­thieno[3,4-b]thio­phene-)-2-carboxyl­ate-2-6-diyl)] (PTB7-Th) and the heavy-element containing small molecule 2-pinacol­boronate-3-phenyl­phen­anthro[9,10-b]telluro­phene (PhenTe-BPinPh). Hence, a 1.7 times higher backfilling efficiency of almost 70% is achieved for the small molecule PhenTe-BPinPh compared with the polymer PTB7-Th despite sharing the same volumetric mass density. The precise characterization of structural changes due to backfilling reveals that the volumetric density of backfilled materials plays a minor role in obtaining good backfilling efficiencies and interfaces with large surface contact.

Nanocrystallography has transformed our ability to interrogate the atomic structures of proteins, peptides, organic molecules and materials. By probing atomic level details in ordered sub-10 nm regions of nanocrystals, scanning nanobeam electron diffraction extends the reach of nanocrystallography and in principle obviates the need for diffraction from large portions of one or more crystals. Scanning nanobeam electron diffraction is now applied to determine atomic structures from digitally defined regions of beam-sensitive peptide nanocrystals. Using a direct electron detector, thousands of sparse diffraction patterns over multiple orientations of a given crystal are recorded. Each pattern is assigned to a specific location on a single nanocrystal with axial, lateral and angular coordinates. This approach yields a collection of patterns that represent a tilt series across an angular wedge of reciprocal space: a scanning nanobeam diffraction tomogram. Using this diffraction tomogram, intensities can be digitally extracted from any desired region of a scan in real or diffraction space, exclusive of all other scanned points. Intensities from multiple regions of a crystal or from multiple crystals can be merged to increase data completeness and mitigate missing wedges. It is demonstrated that merged intensities from digitally defined regions of two crystals of a segment from the OsPYL/RCAR5 protein produce fragment-based ab initio solutions that can be refined to atomic resolution, analogous to structures determined by selected-area electron diffraction. In allowing atomic structures to now be determined from digitally outlined regions of a nanocrystal, scanning nanobeam diffraction tomography breaks new ground in nanocrystallography.

Anaerobic ammonium-oxidizing (anammox) bacteria play a key role in the global nitrogen cycle and in nitrogenous wastewater treatment. The anammox bacteria ultrastructure is unique and distinctly different from that of other prokaryotic cells. The morphological structure of an organism is related to its function; however, research on the ultrastructure of intact anammox bacteria is lacking. In this study, in situ three-dimensional nondestructive ultrastructure imaging of a whole anammox cell was performed using synchrotron soft X-ray tomography (SXT) and the total variation-based simultaneous algebraic reconstruction technique (TV-SART). Statistical and quantitative analyses of the intact anammox bacteria were performed. High soft X-ray absorption composition inside anammoxosome was detected and verified to be relevant to iron-binding protein. On this basis, the shape adaptation of the anammox bacteria response to iron was explored.

Single-crystal elastic constants have been derived by lattice strain measurements using neutron diffraction on polycrystalline Ti-6Al-4V, Ti-6Al-2Sn-4Zr-6Mo and Ti-3Al-8V-6Cr-4Zr-4Mo alloy samples. A variety of model approximations for the grain-to-grain interactions, namely approaches by Voigt, Reuss, Hill, Kroener, de Wit and Matthies, including texture weightings, have been applied and compared. A load-transfer approach for multiphase alloys was also implemented and the results are compared with single-phase data. For the materials under investigation, the results for multiphase alloys agree well with the results for single-phase materials in the corresponding phases. In this respect, all eight elastic constants in the dual-phase Ti-6Al-2Sn-4Zr-6Mo alloy have been derived for the first time.

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

The post Smithsonian to lead study on degradation of nearshore coastal habitats of the Chesapeake appeared first on Smithsonian Insider.

Titan is the largest of the 53 known moons orbiting Saturn. Despite its distance from the Sun, Titan is arguably one of the most Earth-like […]

The post Saturn’s moon Titan appeared first on Smithsonian Insider.

Using 2-dimensional and 3-dimensional CT scans, Natural History Museum anthropologists found that the brain and major organs were removed and rolls of linen filled out the abdominal cavity. This mummification method is evidence of superior embalming, indicating a person of higher status.

The post Video: A mummy ‘grows’ with CT scans and 3D digital technology appeared first on Smithsonian Insider.

Depending on where the fish disperse from, the use of ‘stepping stones', flotsam or simply being an adult can help in the journey to find a new home.

The post Ability to raft with flotsam and use non-reef habitats helps tropical fish journey to new places, study finds 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.

16,000 square kilometers of giant panda habitat will likely be lost by the year 2080

The post Panda habitat to be lost, shifted by climate change 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.

Frontispiece illustration of “flies” from the 1882 book American game fishes, their habits, habitat, and peculiarities; how, when, and where to angle for them, featuring […]

The post Illustration from American game fishes, their habits, habitat, and peculiarities appeared first on Smithsonian Insider.

Rooting through the garbage for a late-night snack or stealing food from the cat’s bowl, the suburban raccoon is a nocturnal, intelligent animal. Yet life […]

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Catalina Suarez Gomez made the type of discovery that most scientists only dream about – and she did it while interning at the Smithsonian Tropical […]

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Einstein’s Theory of General Relativity predicts that accelerated masses emit gravitational waves, or ripples in space-time. Even though gravitational waves have yet to be detected […]

The post Gemini reveals a gravitational wave source in hiding appeared first on Smithsonian Insider.

Wetlands Wetlands are one of the habitats to benefit most from conservation. The North American Wetlands Conservation Act has enabled strategic conservation projects covering a […]

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In April 2015, after traveling for about half the age of the universe, a flood of powerful gamma rays from a distant galaxy slammed into […]

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Einstein’s general theory of relativity predicts the emission of gravitational waves by massive celestial bodies moving though space-time. For the past century gravitational waves have […]

The post Astronomers complete First Search for Visible Light Associated with Gravitational Waves appeared first on Smithsonian Insider.

For the first time, scimitar-horned oryx are going to be reintroduced to the wild in Chad. Extinct in the wild since the mid-1980s, the species’ […]

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Two separate teams of scientists have identified major challenges for the development of life in what has recently become one of the most famous exoplanet […]

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This animation shows how binary neutron stars warp space-time to create gravitational waves, then collide and explode into a visible kilonova, which can be detected […]

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When a natural disaster strikes, it devastates lives and homes, and can even destroy a culture’s identity and history. After a disaster, humanitarian response is […]

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Some of the earliest humans to inhabit America came from Europe according to a new book "Across Atlantic Ice: The Origin of America's Clovis Culture."

The post New book reveals Ice Age mariners from Europe were America’s first inhabitants appeared first on Smithsonian Insider.

Olga Kopach, Noemi Esteras, Selina Wray, Dmitri A. Rusakov, and Andrey Y. Abramov

Frontotemporal dementia and parkinsonism (FTDP-17) caused by the 10+16 splice-site mutation in the MAPT provides an established platform to model tau-related dementia in vitro. Human iPSC-derived neurons have been shown to recapitulate the neurodevelopmental profile of tau pathology during in vitro corticogenesis as in the adult human brain. However, the neurophysiological phenotype of these cells has remained unknown, leaving unanswered questions over the functional relevance and the gnostic power of this disease model. Here we used electrophysiology to explore the membrane properties and intrinsic excitability of the generated neurons to find that human cells mature by ~150 days of neurogenesis to become compatible with matured cortical neurons. In earlier FTDP-17, neurons, however, exhibited a depolarized resting membrane potential associated with increased resistance and reduced voltage-gated Na⁺- and K⁺-channel-mediated conductance. The Na_v1.6 protein was reduced in FTDP-17. These led to a reduced cell capability of induced firing and changed action potential waveform in FTDP-17. The revealed neuropathology may thus contribute to the clinicopathological profile of the disease. This sheds new light on the significance of human models of dementia in vitro.

The Smithsonian Research Online program recently surpassed the mark of 10,000 publications in the Digital Repository. This collection of digital publications by Smithsonian staff represents a broad review of research done by researchers at the Institution.

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Have an upset stomach? Pop a chalky, chewable antacid. Maybe you’ve got a painful cut or burn. No problem; reach for a healing ointment or […]

The post Glittering, mesmerizing, lifesaving: Hospital exhibit showcases minerals used in medicine appeared first on Smithsonian Insider.

The Pan-STARRS project at the University of Hawai’i Institute for Astronomy (UH IfA) is publicly releasing the world’s largest digital sky survey today from the […]

The post Pan-STARRS Releases Largest Digital Sky Survey to the World appeared first on Smithsonian Insider.

Crystal structure identification of thin organic films entails a number of technical and methodological challenges. In particular, if molecular crystals are epitaxially grown on single-crystalline substrates a complex scenario of multiple preferred orientations of the adsorbate, several symmetry-related in-plane alignments and the occurrence of unknown polymorphs is frequently observed. In theory, the parameters of the reduced unit cell and its orientation can simply be obtained from the matrix of three linearly independent reciprocal-space vectors. However, if the sample exhibits unit cells in various orientations and/or with different lattice parameters, it is necessary to assign all experimentally obtained reflections to their associated individual origin. In the present work, an effective algorithm is described to accomplish this task in order to determine the unit-cell parameters of complex systems comprising different orientations and polymorphs. This method is applied to a polycrystalline thin film of the conjugated organic material 6,13-pentacene­quinone (PQ) epitaxially grown on an Ag(111) surface. All reciprocal vectors can be allocated to unit cells of the same lattice constants but grown in various orientations [sixfold rotational symmetry for the contact planes (102) and (102)]. The as-determined unit cell is identical to that reported in a previous study determined for a fibre-textured PQ film. Preliminary results further indicate that the algorithm is especially effective in analysing epitaxially grown crystallites not only for various orientations, but also if different polymorphs are present in the film.

The post Killer carnivores: Titanoboa vs. T-Rex — Premieres April 1 on Smithsonian Channel appeared first on Smithsonian Insider.

Jennifer Trask engages nature as both medium and subject matter, combining unexpected materials such as bone, vertebrae, butterfly wings, resin, metal, and antique frame fragments […]

The post Jennifer Trask – Visions and Revisions: Renwick Invitational 2016 appeared first on Smithsonian Insider.

Steven Young Lee blends Eastern and Western traditions with anachronistic, often playful imagery and striking pattern in his porcelain works. His process allows the clay […]

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Fulcaldea stuessyi is a newly discovered member of the Barnadesioideae, a subfamily of the Compositae, or sunflower family of flowering plants. It was found in northeastern […]

The post Fulcaldea stuessyi is newly discovered member of the Barnadesioideae, a subfamily of the Compositae, or sunflower family of flowering plants, appeared first on Smithsonian Insider.

Digital onboarding begins the moment a customer wants to use your products and services and it requires a careful mix of technology and data

The GDC Compliance Advisory Board (CAB) provides insight into how to interpret the Strong Consumer Authentication (SCA) mandate described in PSD 2 without jeopardizing data privacy concerns protected by GDPR. 

Video of the B9 robot from "Lost In Space" and his most famous catchphrases.; Credit: timtomp (via YouTube)

Robert Kinoshita, the Los Angeles native who designed the iconic robots from "Lost in Space" and "Forbidden Planet," has passed away. He was 100 years old.

Konishita died Dec. 9 at a Torrance nursing home, according to the Hollywood Reporter, citing family friend Mike Clark. His creations included "Forbidden Planet's" Robby the Robot, the B9 robot from "Lost in Space," Tobor from "Tobor the Great" and more. Kinoshita also created "Lost in Space's" iconic flying-saucer-shaped Jupiter 2 spaceship.

Kinoshita built the original miniature prototype of Robby the Robot out of wood and plastic by combining several different concepts, according to the Reporter; the Rafu Shimpo reported that he struggled with the design.

"I thought, what the hell. We’re wasting so much time designing and drawing one sketch after another. I said to myself, I’m going to make a model," Kinoshita told the Rafu Shimpo in a 2004 interview. "Then one day, the art director sees the model. He says, ‘Give me that thing.’ He grabbed it and ran. ... Ten minutes later, he comes running back and puts the model back on my desk and says, ‘Draw it!’"

Watch Kinoshita and his colleagues talking about the construction of Robby the Robot:

Robby the Robot's construction

The 1956 classic sci-fi movie "Forbidden Planet" — based on Shakespeare's "The Tempest" — went on to be nominated for a special effects Oscar.

Kinoshita later served as art director on the 1960s sci-fi TV series "Lost in Space," creating the arm-flailing robot — named B9 — who delivered the classic line "Danger! Danger, Will Robinson!" That robot received as much fan mail as the actual humans on the show, according to the Reporter.

Watch the robot's feud with "Lost in Space's" Dr. Smith:

The robot vs. Dr. Smith

The "Lost in Space" robot even inspired a B9 Robot Builders Club, featured in Forbes. Kinoshita sent a message in 2000 to the club, thanking them for their support for the robot he originally nicknamed "Blinky."

"I'm truly flabbergasted and honored by your support for 'Blinky!' It's a well-designed little beauty," Kinoshita wrote. "Your thoughtful remembrance is something we designers seldom are lucky enough to receive."

Kinoshita described the thought process behind its design in a 1998 interview.

"You're laying in bed, and something comes to you," he said. "Until, finally, you get to a point where you say, 'This could work,' 'OK, let's see what the boss man says.' And you present it to him."

He told the Rafu Shimpo that he tried to create his robots to disguise the fact that there was a person inside. "I tried to camouflage it enough so you’d wonder where the hell the human was," he said.

Both the Japanese-American Kinoshita and his wife, Lillian, were sent to an Arizona internment camp during World War II, though they were able to get out before the end of the war and moved to Wisconsin, according to the Reporter.

While in Wisconsin, Kinoshita learned industrial design and plastic fabrication, designing washing machines for the Army and Air Force before returning to California, according to the Rafu Shimpo.

Kinoshita said that he had to overcome racial prejudice to break into working in Hollywood.

Kinoshita attributed his long life to clean living — along with daily doses of apple cider vinegar, family friend Clark told the Reporter.

Kinoshita also worked as a designer and art director on numerous classic TV shows, including "Kojak," "Barnaby Jones," "Hawaii Five-O," "Bat Masterson," "Sea Hunt," "Tombstone Territory," "Star Trek" creator Gene Roddenberry's "Planet Earth" and more, according to his IMDB. His last TV show was 1984's "Cover Up."

Kinoshita grew up in Boyle Heights, according to the Reporter, attending Maryknoll Japanese Catholic School, Roosevelt High School and USC's School of Architecture. His career began with work on 1937's "100 Men and a Girl." Kinoshita graduated cum laude from USC, according to the Rafu Shimpo.

Watch Kinoshita speak at his 95th birthday gathering with the B9 Robot Builders Club. He said he hoped to make it to 100, and he ended up doing so.

Kinoshita's 95th birthday speech

This content is from Southern California Public Radio. View the original story at SCPR.org.

A method is described for indexing grazing-incidence X-ray diffraction data of epitaxially grown thin films comprising various crystal orientations and/or polymorphs by measuring reciprocal-lattice vectors.

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After 16 years of dedicated planning and engineering, scientists at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory have completed a 3.2 gigapixel sensor array for the camera that will be used in the Large Synoptic Survey Telescope (LSST), a massive telescope that will observe the universe like never before. The digital sensor array is composed of about 200 16-megapixel sensors, divided into 21 modules called "rafts." Each raft can function on its own, but when combined, they will view an area of sky that can fit more than 40 full moons in a single image. Researchers will stitch these images together to create a time-lapse movie of the complete visible universe accessible from Chile. Currently under construction on a mountaintop in Chile, LSST is designed to capture the most complete images of our universe that have ever been achieved. The project to build the telescope facility and camera is a collaborative effort among more than 30 institutions from around the world, and it is primarily funded by DOE's Office of Science and the National Science Foundation.

Image credit: SLAC National Accelerator Laboratory