Leading scientists set out resource challenge of meeting net zero emissions in the UK by 2050  The Natural History Museum

Compasses at Greenwich Are About to Do Something Not Observed in Over 300 Years  ScienceAlert

Mum feels the 'earth move' beneath her at Plymouth car park  Plymouth Live

Geologists discover hundreds of buried valleys throughout Britain  Press and Journal

Earthquake rumbles under sea off Norfolk coast | Great Yarmouth News  Great Yarmouth Mercury

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.

Innovative new crystallographic methods are facilitating structural studies from ever smaller crystals of biological macromolecules. In particular, serial X-ray crystallography and microcrystal electron diffraction (MicroED) have emerged as useful methods for obtaining structural information from crystals on the nanometre to micrometre scale. Despite the utility of these methods, their implementation can often be difficult, as they present many challenges that are not encountered in traditional macromolecular crystallography experiments. Here, XFEL serial crystallography experiments and MicroED experiments using batch-grown microcrystals of the enzyme cyclophilin A are described. The results provide a roadmap for researchers hoping to design macromolecular microcrystallography experiments, and they highlight the strengths and weaknesses of the two methods. Specifically, we focus on how the different physical conditions imposed by the sample-preparation and delivery methods required for each type of experiment affect the crystal structure of the enzyme.

The microstructures of six stacking-faulted industrially produced cobalt- and aluminium-bearing nickel layered double hydroxide (LDH) samples that are used as precursors for Li(Ni1−x−yCoxAly)O2 battery materials were investigated. Shifts from the brucite-type (AγB)□(AγB)□ stacking pattern to the CdCl2-type (AγB)□(CβA)□(BαC)□ and the CrOOH-type (BγA)□(AβC)□(CαB)□ stacking order, as well as random intercalation of water molecules and carbonate ions, were found to be the main features of the microstructures. A recursive routine for generating and averaging supercells of stacking-faulted layered substances implemented in the TOPAS software was used to calculate diffraction patterns of the LDH phases as a function of the degree of faulting and to refine them against the measured diffraction data. The microstructures of the precursor materials were described by a model containing three parameters: transition probabilities for generating CdCl2-type and CrOOH-type faults and a transition probability for the random intercalation of water/carbonate layers. Automated series of simulations and refinements were performed, in which the transition probabilities were modified incrementally and thus the microstructures optimized by a grid search. All samples were found to exhibit the same fraction of CdCl2-type and CrOOH-type stacking faults, which indicates that they have identical Ni, Co and Al contents. Different degrees of interstratification faulting were determined, which could be correlated to different heights of intercalation-water-related mass-loss steps in the thermal analyses.

Hydrogen is present in almost all of the molecules in living things. It is very reactive and forms bonds with most of the elements, terminating their valences and enhancing their chemistry. X-ray diffraction is the most common method for structure determination. It depends on scattering of X-rays from electron density, which means the single electron of hydrogen is difficult to detect. Generally, neutron diffraction data are used to determine the accurate position of hydrogen atoms. However, the requirement for good quality single crystals, costly maintenance and the limited number of neutron diffraction facilities means that these kind of results are rarely available. Here it is shown that the use of Transferable Aspherical Atom Model (TAAM) instead of Independent Atom Model (IAM) in routine structure refinement with X-ray data is another possible solution which largely improves the precision and accuracy of X—H bond lengths and makes them comparable to averaged neutron bond lengths. TAAM, built from a pseudoatom databank, was used to determine the X—H bond lengths on 75 data sets for organic molecule crystals. TAAM parametrizations available in the modified University of Buffalo Databank (UBDB) of pseudoatoms applied through the DiSCaMB software library were used. The averaged bond lengths determined by TAAM refinements with X-ray diffraction data of atomic resolution (dmin ≤ 0.83 Å) showed very good agreement with neutron data, mostly within one single sample standard deviation, much like Hirshfeld atom refinement (HAR). Atomic displacements for both hydrogen and non-hydrogen atoms obtained from the refinements systematically differed from IAM results. Overall TAAM gave better fits to experimental data of standard resolution compared to IAM. The research was accompanied with development of software aimed at providing user-friendly tools to use aspherical atom models in refinement of organic molecules at speeds comparable to routine refinements based on spherical atom model.

Transferable Aspherical Atom Model (TAAM) instead of Independent Atom Model (IAM) applied through DiSCaMB software library in the structure refinement against X-ray diffraction data largely improves the X—H bond lengths and make them comparable to the averaged neutron bond lengths.

In a series of ongoing experiments on Barro Colorado Island in the Panama Canal, Kays and other researchers are using camera traps, radio collars and palm nuts with tracking transmitters attached to them to take a closer look at the nut-hoarding strategies of the agouti.

The post Camera traps & radio collars reveal hoarding strategies of the South American agouti appeared first on Smithsonian Insider.

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.

The post Smithsonian bat expert Kristofer Helgen answers common questions about bats appeared first on Smithsonian Insider.

A new telescope has begun to virtually explore the solar system outback, and already is scoring discoveries.

The post New telescope exploring Solar System’s “outback” appeared first on Smithsonian Insider.

The National Zoo has received a breeding pair of Asian small-clawed otters at Asia Trail for the first time. Mac, a three-year-old male from the Point Defiance Zoo in Tacoma, Wash., and Smidge, a five-year-old female from the Columbus Zoo in Ohio, arrived in April and are now in their exhibit.

The post Keepers are optimistic about Zoo’s new breeding pair of Asian small-clawed otters appeared first on Smithsonian Insider.

A description and photos of the green-headed tanager (Tangara seledon), a bird native to east-central South America, can be found in the Species of the […]

The post Green-headed Tanager (Tangara seledon) of east-central South America appeared first on Smithsonian Insider.

Now, a new study of hellbenders by scientists at the Smithsonian Conservation Biology Institute will place these amphibians at the center of the conservation of Appalachian salamanders.

The post Will global warming be hell on the hellbender? Smithsonian study aims to find out. appeared first on Smithsonian Insider.

New research shows that aurorae on distant "hot Jupiters" could be 100-1000 times brighter than Earthly aurorae. They also would ripple from equator to poles (due to the planet's proximity to any stellar eruptions), treating the entire planet to an otherworldly spectacle.

The post Exoplanet aurora: An out-of-this-world sight appeared first on Smithsonian Insider.

Two scientists at the Smithsonian Institution have been honored with the Presidential Early Career Award for Scientists and Engineers for their innovative research and scientific leadership. It is the highest honor bestowed by the U.S. government on science and engineering professionals in the early stages of their independent research careers.

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In a new study researchers from the Smithsonian Conservation Biology Institute’s Center for Conservation and Evolutionary Genetics used DNA from coyote scat (feces) to trace the route that led some of the animals to colonize in Northern Virginia.

The post New genetic evidence confirms coyote migration route to Virginia and hybridization with wolves appeared first on Smithsonian Insider.

An excavation at a site in South Africa has unearthed the 190-million-year-old dinosaur nesting site of the prosauropod dinosaur Massospondylus–revealing significant clues about the evolution of complex reproductive behavior in early dinosaurs.

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"X-Ray Vision: Fish Inside Out," is a new exhibition of striking x-rays that reveal the complex bone structure of fishes in the collections of the Smithsonian's National Museum of Natural History.

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A box jellyfish from the Caribbean appears to have recently become established in the red mangroves of Florida near Boca Raton.

The post Caribbean box jellyfish now thriving in southern Florida appeared first on Smithsonian Insider.

A new study of marmosets, small South American monkeys, indicates that obesity may begin very early in life and suggests that marmosets may be a helpful model for obesity in humans.

The post Is obesity predestined at infancy? Marmoset study may help scientists find out. appeared first on Smithsonian Insider.

A new X-ray study of the remains of an exploded star indicates that the supernova that disrupted the massive star may have turned it inside out in the process.

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An extraordinary outburst produced by a black hole in a nearby galaxy has provided direct evidence for a population of old, volatile stellar black holes.

The post Astronomers witness black hole outburst in Spiral Galaxy M83 appeared first on Smithsonian Insider.

Recently, after examining hundreds of photos taken by camera traps set-up to monitor clouded leopards in the park, three Smithsonian researchers say Khao Yai also is quite popular with a different kind of visitor: poachers.

The post Poachers at large in Thailand’s nature reserves despite ranger outposts appeared first on Smithsonian Insider.

Astronomers have found strong evidence that a massive black hole is being ejected from its host galaxy at a speed of several million miles per hour.

The post Giant black hole kicked out of home galaxy appeared first on Smithsonian Insider.

A new study of Chandra data has revealed two nearby galaxies whose supermassive black holes are growing faster than the galaxies themselves.

The post Black hole growth found to be out of synch appeared first on Smithsonian Insider.

A specimen recently pulled from deep in the southwest Atlantic may represent a new species of squid, say scientist who have studied the animal’s unusual morphology. But then again, it may not…

The post As they grow some squid change dramatically, making scientists cautious about naming new species appeared first on Smithsonian Insider.

There is little doubt that human activity is affecting planet Earth, but just how much? And is it all negative? Rick Potts is the director […]

The post Smithsonian anthropologist Rick Potts answers questions about the Anthropocene appeared first on Smithsonian Insider.

These striking images of six insect heads and mouthparts were drawn from fossils by Conrad Labandeira, Curator of Fossil Arthropods (insects and related animals) at […]

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The Smithsonian Environmental Research Center has just launched a new series of 15 short educational videos titled “Ecosystems on the Edge,” which mainly focus on […]

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The galaxy known as M87 has a fastball that would be the envy of any baseball pitcher. It has thrown an entire star cluster toward […]

The post Star cluster thrown out of its galaxy appeared first on Smithsonian Insider.

In the United States, natural-gas production from shale rock has increased by more than 700 percent since 2007. Yet scientists still do not fully understand […]

The post Biological fallout of shale-gas production still largely unknown appeared first on Smithsonian Insider.

A new DNA study of ancient corn kernels and cobs from archaeological sites across North America has settled a long debate as to exactly where […]

The post Corn entered Southwest U.S. first along highland route, DNA shows appeared first on Smithsonian Insider.

Giant pandas. Grizzlies. Polar bears. You’ve probably heard a lot about these bear species, but what about Andean bears? To the Quechua and Aymara, the […]

The post 6 Things You Probably Didn’t Know About Andean Bears appeared first on Smithsonian Insider.

The odds of being attacked and castrated by a variety of parasitic flatworms increases for marine horn snails the farther they are found from the […]

The post Parasitic flatworms flout global biodiversity patterns appeared first on Smithsonian Insider.

A social media celebrity was born last week when the bright lights and camera of NOAA’s remotely operated vehicle Deep Discoverer zoomed in on a […]

The post Ghost octopod shows how little we know about deep-sea life appeared first on Smithsonian Insider.

Space: the final frontier. These are the voyages of the Starship Enterprise…and you know the rest, probably even if you’re not a huge fan of […]

The post Five things only a conservator would know about the USS Enterprise 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.

Whales from both poles migrate long distances to breed in tropical waters. Smithsonian scientist Hector M. Guzman and Fernando Félix at the Salinas Whale Museum […]

The post Whale tagging in Southeast Pacific provides data for species protection appeared first on Smithsonian Insider.

Smithsonian scientists have joined NASA and other organizations this summer to do something incredible: launch a spacecraft, the Parker Solar Probe, into space and have […]

The post A solar probe is on its way to touch the sun. The Smithsonian built the tool that will measure the sun without melting appeared first on Smithsonian Insider.

A selection of fascinating facts about fishes from the new book "Fishes: The Animal Answer Guide"

The post Five funky and 5 fun facts about fishes appeared first on Smithsonian Insider.

When it comes to the birds of South Asia, Pamela Rasmussen wrote the book on it. Literally. Twice.

The post New Book: “Birds of South Asia: The Ripley Guide” appeared first on Smithsonian Insider.