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.

Bragg intensities can be used to analyse crystal size distributions in a method called FXD-CSD, which is based on the fast measurement of many Bragg spots using two-dimensional detectors. This work presents the Python-based software and its graphical user interface FXD-CSD-GUI. The GUI enables user-friendly data handling and processing and provides both graphical and numerical crystal size distribution results.

Errors in the article by Opara, Martiel, Arnold, Braun, Stahlberg, Makita, David & Padeste [J. Appl. Cryst. (2017), 50, 909–918] are corrected.

Two methods for reconstructing intragranular strain fields are developed for scanning three-dimensional X-ray diffraction (3DXRD). The methods are compared with a third approach where voxels are reconstructed independently of their neighbours [Hayashi, Setoyama & Seno (2017). Mater. Sci. Forum, 905, 157–164]. The 3D strain field of a tin grain, located within a sample of approximately 70 grains, is analysed and compared across reconstruction methods. Implicit assumptions of sub-problem independence, made in the independent voxel reconstruction method, are demonstrated to introduce bias and reduce reconstruction accuracy. It is verified that the two proposed methods remedy these problems by taking the spatial properties of the inverse problem into account. Improvements in reconstruction quality achieved by the two proposed methods are further supported by reconstructions using synthetic diffraction data.

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.

Because researchers do not understand the formation mechanism of cocrystals, the preparation of cocrystals is mostly done by trial and error. This study focuses on the cocrystal formation mechanism to improve the efficiency of cocrystal preparation.

Book review

A calculation procedure for X-ray total scattering and the pair distribution function from a crystalline structural model is presented. It allows one to easily and precisely deal with diffraction-angle-dependent parameters such as the atomic form factor and the resolution of the optics.

This article describes rational strategies for the optimization of crystal growth using precise in situ control of the temperature and chemical composition of the crystallization solution through dialysis, to generate crystals of the specific sizes required for different downstream structure determination approaches.

A detailed study on chiral compound structures found in the Cambridge Structural Database (CSD) is presented. Solvates, salts and co-crystals have intentionally been excluded, in order to focus on the most basic structures of single enantiomers, scalemates and racemates. Similarity between the latter and structures of achiral monomolecular compounds has been established and utilized to arrive at important conclusions about crystallization of chiral compounds. For example, the fundamental phenomenon of conglomerate formation and, in particular, their frequency of occurrence is addressed. In addition, rarely occurring kryptoracemates and scalemic compounds (anomalous racemates) are discussed. Finally, an extended search of enantiomer solid solutions in the CSD is performed to show that there are up to 1800 instances most probably hiding among the deposited crystal structures, while only a couple of dozen have been previously known and studied.

A study on chiral monomolecular compound structures found in the Cambridge Structural Database is presented.

The crystallization of amidase, the ultimate enzyme in the Trp-dependent auxin-biosynthesis pathway, from Arabidopsis thaliana was attempted using protein samples with at least 95% purity. Cube-shaped crystals that were assumed to be amidase crystals that belonged to space group I4 (unit-cell parameters a = b = 128.6, c = 249.7 Å) were obtained and diffracted to 3.0 Å resolution. Molecular replacement using structures from the PDB containing the amidase signature fold as search models was unsuccessful in yielding a convincing solution. Using the Sequence-Independent Molecular replacement Based on Available Databases (SIMBAD) program, it was discovered that the structure corresponded to dihydrolipoamide succinyltransferase from Escherichia coli (PDB entry 1c4t), which is considered to be a common crystallization contaminant protein. The structure was refined to an Rwork of 23.0% and an Rfree of 27.2% at 3.0 Å resolution. The structure was compared with others of the same protein deposited in the PDB. This is the first report of the structure of dihydrolipo­amide succinyltransferase isolated without an expression tag and in this novel crystal form.

The membrane protein EsaA is a conserved component of the type VIIb secretion system. Limited proteolysis of purified EsaA from Staphylococcus aureus USA300 identified a stable 48 kDa fragment, which was mapped by fingerprint mass spectrometry to an uncharacterized extracellular segment of EsaA. Analysis by circular dichroism spectroscopy showed that this fragment folds into a single stable domain made of mostly α-helices with a melting point of 34.5°C. Size-exclusion chromatography combined with multi-angle light scattering indicated the formation of a dimer of the purified extracellular domain. Octahedral crystals were grown in 0.2 M ammonium citrate tribasic pH 7.0, 16% PEG 3350 using the hanging-drop vapor-diffusion method. Diffraction data were analyzed to 4.0 Å resolution, showing that the crystals belonged to the enantiomorphic tetragonal space groups P41212 or P43212, with unit-cell parameters a = 197.5, b = 197.5, c = 368.3 Å, α = β = γ = 90°.

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.

The true identity of the protein found in the crystals reported by Bondoc et al. [(2019), Acta Cryst. F75, 646–651] is given.

The crystal structure of MgCoGa2 (magnesium cobalt digallide) was solved by direct methods and refined in two space groups as P21/c (standard choice) and P21/n (non-standard choice). The refined lattice parameters for the standard choice are a = 5.1505 (2), b = 7.2571 (2), c = 8.0264 (3) Å and β = 125.571 (3)°, and for the non-standard choice are a = 5.1505 (2), b = 7.2571 (2), c = 6.5464 (2) Å and β = 94.217 (3)°. All parameters for MgCoGa2 refined to R1 = 0.027 and wR2 = 0.042 using 594 reflections. The crystal structure peculiarities of this compound are discussed. Particular attention has been given to relationships with other similar structures, such as YPd2Si and Fe3C. Crystallographic analysis, together with linear muffin-tin orbital electronic structure calculations, reveals the presence of three-dimensional polyatomic nets with partial covalent bonding between the Ga atoms.

Some--birds called wire-tailed manakins, residents of tropical forests in the Americas--are cooperators as well as competitors. They cooperate, forming alliances for a common cause.

The post Manakins, birds of tropical forests, form alliances for common good appeared first on Smithsonian Insider.

The uplift of the Isthmus of Panama 2.6 million years ago formed a land-bridge that has long thought to be the crucial step in the […]

The post Alligator relatives crossed ancient seaway appeared first on Smithsonian Insider.

For scientists who study non-insect invertebrates, the sheer diversity of these odd and fascinating creatures is both intoxicating and daunting. Occupying niches in habitats the […]

The post Non-insect invertebrates are focus of new global genome-sequencing alliance appeared first on Smithsonian Insider.

As command module pilot for the Apollo 15 mission to the moon in 1971, Al Worden spent six days orbiting the moon, including three days completely alone, the most isolated human in existence. In Falling to Earth, Worden tells for the first time the full story around the dramatic events that shook NASA and ended his spaceflight career.

The post “Falling to Earth: An Apollo 15 Astronaut’s Journey to the Moon” by Al Worden with Francis French appeared first on Smithsonian Insider.

Thomas O'Loughlin, Antonina J. Kruppa, Andre L. R. Ribeiro, James R. Edgar, Abdulaziz Ghannam, Andrew M. Smith, and Folma Buss

Optineurin (OPTN) is a multifunctional protein involved in autophagy, secretion as well as NF-B and IRF3 signalling and OPTN mutations are associated with several human diseases. Here we show that, in response to viral RNA, OPTN translocates to foci in the perinuclear region, where it negatively regulates NF-B and IRF3 signalling pathways and downstream pro-inflammatory cytokine secretion. These OPTN foci consist of a tight cluster of small membrane vesicles, which are positive for ATG9A. Disease mutations linked to POAG cause aberrant foci formation in the absence of stimuli, which correlates with the ability of OPTN to inhibit signalling. Using proximity labelling proteomics, we identify the LUBAC complex, CYLD and TBK1 as part of the OPTN interactome and show that these proteins are recruited to this OPTN-positive perinuclear compartment. Our work uncovers a crucial role for OPTN in dampening NF-B and IRF3 signalling through the sequestration of LUBAC and other positive regulators in this viral RNA-induced compartment leading to altered pro-inflammatory cytokine secretion.

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.

A novel approach for finding and evaluating structural models of small metallic nanoparticles is presented. Rather than fitting a single model with many degrees of freedom, libraries of clusters from multiple structural motifs are built algorithmically and individually refined against experimental pair distribution functions. Each cluster fit is highly constrained. The approach, called cluster-mining, returns all candidate structure models that are consistent with the data as measured by a goodness of fit. It is highly automated, easy to use, and yields models that are more physically realistic and result in better agreement to the data than models based on cubic close-packed crystallographic cores, often reported in the literature for metallic nanoparticles.

These opportunistic plants quickly fill-in the gap taking advantage of the increased light coming through the tree canopy and the fresh soil at the fallen tree’s turned-up roots.

The post Falling trees help invasive wineberry move into deciduous forests in North America appeared first on Smithsonian Insider.

During evaporation of natural and synthetic K–Mg–Cl brines, the formation of almost square plate-like crystals of potassium carnallite (potassium chloride magnesium dichloride hexa­hydrate) was observed. A single-crystal structure analysis revealed a monoclinic cell [a = 9.251 (2), b = 9.516 (2), c = 13.217 (4) Å, β = 90.06 (2)° and space group C2/c]. The structure is isomorphous with other carnallite-type com­pounds, such as NH4Cl·MgCl2·6H2O. Until now, natural and synthetic carnallite, KCl·MgCl2·6H2O, was only known in its ortho­rhom­bic form [a = 16.0780 (3), b = 22.3850 (5), c = 9.5422 (2) Å and space group Pnna].

Ingenico Group,

Several countries around the world are emitting less carbon due to the pandemic slowdown, but the climate will continue to warm.; Credit: Andy Buchanan/AFP via Getty Images

With the dramatic reduction in car traffic and commercial flights, carbon emissions have been falling around the globe. If the slowdown continues, some are estimating the world could see the largest drop in emissions in the last century.

Still, overall greenhouse gas emissions in the atmosphere are still going up and the decline will likely be smaller than what scientists say is necessary to avoid the worst impacts of climate change.

So far, the effects are just starting to appear. In China, the first country to lock down, greenhouse gas emissions dropped an estimated 25% in February as factories and industrial producers slowed output. That decreased coal burning, which has come back slowly since then.

"A month or two of shelter in place will drop carbon dioxide emissions a few percent here or there, but it won't change the year substantially unless we stay like this for some time," says Rob Jackson, environmental scientist at Stanford University.

The declines are still too small to be read by greenhouse gas observatories around the world, like the one on top of the Mauna Loa volcano in Hawaii, given the natural changes in atmosphere this time of year. Because much of the Earth's land mass is in the northern hemisphere, plants and forests there cause carbon levels to fluctuate as they bloom in the spring, drawing carbon dioxide from the air.

If countries continue shelter-at-home orders, emissions declines could be greater. The U.S. Energy Information Administration estimates U.S. emissions from gas and energy use could drop more than 7% this year, similar to a 2009 decline during the financial crisis.

Worldwide, early estimates put global emissions dropping around 4%. Still, that's less than the 7.6% the U.N. says is needed to avoid the worst impacts of climate change by limiting warming to 1.5 degrees Celsius.

To achieve those cuts, scientists say more fundamental changes are needed, like switching to renewable energy.

"This isn't the way we want to reduce our fossil fuel emissions," says Jackson. "We don't want tens of millions of people being out of work as a path to decarbonizing our economy. We need systemic change in our energy infrastructure and new green technologies."

Still, Jackson says the recent changes are providing useful insights.

"It's as if a third of the cars on the road were suddenly electric, running on clean electricity and the air pollution is plummeting," says Jackson. "It's really a remarkable experiment and it shows the benefits of clean energy."

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

Walter Flores was unemployed for 8 months in 2014 but is now working in sales for Workforce Solutions in Compton; Credit: Brian Watt/KPCC

California's unemployment rate continued its decline in December, ending the year at 7 percent, according to figures released Friday by the state Employment Development Department.

But in Compton, Willowbrook and the Florence-Graham section of Los Angeles County, it remains about double that, data show.

“You might have work this week. But next week, you won’t have work,” said James Hicks, 36, 0f Compton. He's worked in warehouses through staffing agencies, but said the jobs have always been temporary.

Statewide, California has added jobs at a faster rate than the United States for three straight years, according to Robert Kleinhenz, Chief Economist with the Los Angeles County Economic Development Corporation. He pointed out the statewide unemployment rate is now where it was June 2008. 

"All in all, with the recession now five years back in our rearview mirror, we’re finally at the point where we can say that we have shrugged off quite a bit of the pain that occurred back during those times," Kleinhenz said.

The Los Angeles County metro area saw a net gain of almost 71,000 jobs in 2014.  The County's overall unemployment rate has fallen to 7.9 percent from 9.2 percent a year ago.

But Compton's unemployment rate was 13 percent in December.

“I’d rather have a  full-time type of gig, working 40 hours a week, but right now, even if you get 25 hours, it’s a blessing,” said Hicks, the warehouse worker in Compton.

On Thursday, he interviewed to be a guard with a security firm, but was told there weren’t any positions available. He had another security guard job six months ago that he thought might become full time and permanent. 

"It was going all right for about two to three months, until they cut my hours and days," Hicks said. 

Walter Flores lives in La Mirada but currently works as an account executive in the Compton office of Workforce Solutions. He was unemployed for about eight months last year after a car accident.

"Losing what you love to do is a tough one, but I'm back," he said. "2015 is going to be a great year."

Flores said most major warehouse and logistics companies prefer to hire temporary workers through industrial staffing firms like the one where he's working because their needs are sporadic.  

But he said it's still a potential opportunity.

"It doesn't matter that it's a temporary position, as long as you put your foot in the door, and then you let the employer know how much value you are for the company," Flores said.  

Hicks, who's earned a GED, wants to find a program to study physical therapy. But first, he’d like to find a job. 

He said you can't judge Compton’s residents by its unemployment rate.

"Some of us out here who [are] looking for jobs, but sometimes it’s the luck of the draw," he said. "It’s kind of scarce out there.” 

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

Several barriers to upgrading existing social housing with innovative energy systems (IES) have been identified by a study of eight large-scale renovation projects in the Netherlands. These include a lack of trust between stakeholders, opposition from tenants on grounds of increased costs or delays, or poor experience with previous energy projects.

The alliance aims to help clients provide enterprise end users with exceptional data control across multiple data sources.

With the help of VoIP calling facility, call centres can continue to serve their customers efficiently and not leave them stranded waiting for service.

Bajaj Allianz Life Insurance’s Chief Information & Digital Officer, Goutam Datta leveraged technology for enabling all business functions and meeting the digital demands of its employees, partners and customers amid lockdown and enabled new services to prevent any impact on business.

A new study has indicated that metallic pollutants in river basins have more sources than other dangerous substances. Sources include stormwater, industrial effluents, treated effluents, agricultural drainage, sediments, mining drainage and landfills.

Nutrient pollution in The Netherlands is falling as a result of national and EU policies, new research has shown. However, many waters still routinely fail to meet environmental quality standards. The study, which focused on the headwaters of 167 rivers where agricultural fertilisers are the main cause of pollution, showed that up to 76% of these did not meet water quality standards.

Levels of airborne polycyclic aromatic hydrocarbons (PAHs) are falling at urban and rural sites in Europe and North America, according to recent research. These results contribute to growing evidence demonstrating that the legislation to reduce these harmful emissions has been successful. Concentrations of PAHs in urban areas were highest, the researchers found, but they were also declining at the fastest rate.

European emissions of sulphur and nitrogen pollution have fallen greatly in recent decades, a new report shows. However, even at present levels they harm sensitive ecosystems, and will continue do so for some years to come.

Deposition of heavy metals and nitrogen is falling across Europe, a new study suggests. The researchers used the levels of these pollutants in mosses as indicators of how deposition has changed from 1990 to 2010. These reductions are likely to be the result of effective air pollution policies, they say.

Myke is dealing with house renovations, Grey is making lots of videos, and they both answer some questions about how this show is made.

The post GFG Alliance port to be used for ship scrapping appeared first on The Lead SA.

It set 2020 capital outlays at $800 million, 33 percent below previous guidance and the first sub-$1 billion budget since 2016.

But there is a lot of upward momentum in supply that needs to be reversed.

The job losses were expected to occur on April 29.