Mother’s Day 2020: ‘One Day isn’t enough to thank our mothers’, says Divya Khosla Kumar who feels we should express our gratitude towards them whenever we feel it

‘State government has failed to protect the people of Delhi from the virus’

Earth's North Magnetic Pole Keeps Drifting towards Siberia, Latest World Magnetic Model Shows | Geophysics, Geoscience  Sci-News.com

Researchers Describe Why Earth's Magnetic North Pole Is Straying Away From Canada Towards Siberia  The Digital Wise

Scientists Explain Why Earth’s Magnetic North Pole Is Drifting Away From Canada Towards Siberia  Mashable India

The title compound, C24H18FNO3, crystallizes in the monoclinic centrosymmetric space group P21/n and its mol­ecular conformation is stabilized via C—H⋯O intra­molecular inter­actions. The supra­molecular network mainly comprises C—H⋯O, C—H⋯F and C—H⋯π inter­actions, which contribute towards the formation of the crystal structure. The different inter­molecular inter­actions have been further analysed via Hirshfeld surface analysis and fingerprint plots.

Rational structure-based drug design (SBDD) relies on the availability of a large number of co-crystal structures to map the ligand-binding pocket of the target protein and use this information for lead-compound optimization via an iterative process. While SBDD has proven successful for many drug-discovery projects, its application to G protein-coupled receptors (GPCRs) has been limited owing to extreme difficulties with their crystallization. Here, a method is presented for the rapid determination of multiple co-crystal structures for a target GPCR in complex with various ligands, taking advantage of the serial femtosecond crystallography approach, which obviates the need for large crystals and requires only submilligram quantities of purified protein. The method was applied to the human β2-adrenergic receptor, resulting in eight room-temperature co-crystal structures with six different ligands, including previously unreported structures with carvedilol and propranolol. The generality of the proposed method was tested with three other receptors. This approach has the potential to enable SBDD for GPCRs and other difficult-to-crystallize membrane proteins.

The first ab initio aspherical structure refinement against experimental X-ray structure factors for polypeptides and proteins using a fragmentation approach to break up the protein into residues and solvent, thereby speeding up quantum-crystallographic Hirshfeld atom refinement (HAR) calculations, is described. It it found that the geometric and atomic displacement parameters from the new fragHAR method are essentially unchanged from a HAR on the complete unfragmented system when tested on dipeptides, tripeptides and hexapeptides. The largest changes are for the parameters describing H atoms involved in hydrogen-bond interactions, but it is shown that these discrepancies can be removed by including the interacting fragments as a single larger fragment in the fragmentation scheme. Significant speed-ups are observed for the larger systems. Using this approach, it is possible to perform a highly parallelized HAR in reasonable times for large systems. The method has been implemented in the TONTO software.

Single crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations showed a specific signature associated with three structural transitions, i.e. the appearance of different sets of satellite reflections below TC1, TC2 and TC3. Several harmonics of intense satellite reflections were observed, reflecting the non-sinusoidal nature of the structural modulations and a strong electron–phonon coupling in the material. These transitions could be associated with the formation of three successive unconventional charge density wave states.

Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers. Indeed, X-ray crystallography is well suited for such a measurement, owing to its ability to spatially resolve the scattering contributions of individual metal atoms that have distinct electronic environments contributing to protein function. However, as the magnitude of the shift is quite small, about +2 eV per valence state for iron, it has only been possible to measure the effect when performed with monochromated X-ray sources at synchrotron facilities with energy resolutions in the range 2–3 × 10−4 (ΔE/E). This paper tests whether X-ray free-electron laser (XFEL) pulses, which have a broader bandpass (ΔE/E = 3 × 10−3) when used without a monochromator, might also be useful for such studies. The program nanoBragg is used to simulate serial femtosecond crystallography (SFX) diffraction images with sufficient granularity to model the XFEL spectrum, the crystal mosaicity and the wavelength-dependent anomalous scattering factors contributed by two differently charged iron centers in the 110-amino-acid protein, ferredoxin. Bayesian methods are then used to deduce, from the simulated data, the most likely X-ray absorption curves for each metal atom in the protein, which agree well with the curves chosen for the simulation. The data analysis relies critically on the ability to measure the incident spectrum for each pulse, and also on the nanoBragg simulator to predict the size, shape and intensity profile of Bragg spots based on an underlying physical model that includes the absorption curves, which are then modified to produce the best agreement with the simulated data. This inference methodology potentially enables the use of SFX diffraction for the study of metalloenzyme mechanisms and, in general, offers a more detailed approach to Bragg spot data reduction.

For more than three decades JoGayle Howard dedicated her life and work to reproducing endangered species.

The post JoGayle Howard, National Zoological Park pioneer in reproductive biology, dies appeared first on Smithsonian Insider.

A July 12 news alert from NASA indicates a X1.4 class solar flare erupted from the center of the Sun, peaking July 12 at 12:52 P.M.

The post Coronal mass ejection from July 12 solar flare headed toward Earth; minor geomagnetic storm activity predicted appeared first on Smithsonian Insider.

Today’s cutting-edge laboratories rely on ultra-cold refrigeration to keep delicate cells like sperm viable for use in the future. But a new technique using microwaves […]

The post What does candied, microwaved sperm have to do with saving endangered species? appeared first on Smithsonian Insider.

Recent airborne geophysical surveys near Decorah, Iowa are providing an unprecedented look at a 470-million-year-old meteorite crater concealed beneath bedrock and sediments. The aerial surveys, […]

The post Iowa meteorite crater confirmed appeared first on Smithsonian Insider.

Dr. JoGayle Howard of the Smithsonian's National Zoo discusses her work to breed and study one of the world's most endangered cats, the clouded leopard. More about the National Zoo's work to save clouded leopards: http://nationalzoo.si.edu/SCBI/ReproductiveScience/ConsEn...
http://nationalzoo.si.edu/support/annualappeal/cloudedleo... ... (more info)

The post Meet Our Scientist: Dr. JoGayle Howard of the Smithsonian’s National Zoological Park appeared first on Smithsonian Insider.

The federal government should not increase the maximum level of copper allowed in drinking water, because higher levels could lead to liver poisoning in infants and children with certain genetic disorders.

Every year, approximately 100 million* adult Americans experience chronic pain, a condition that costs the nation between $560 billion and $635 billion annually, says a new report from the Institute of Medicine.

A new data network that integrates emerging research on the molecular makeup of diseases with clinical data on individual patients could drive the development of a more accurate classification of disease and ultimately enhance diagnosis and treatment, says a new report from the National Research Council.

The U.S. Department of Health and Human Services (HHS) should lead efforts among federal partners and stakeholders to design, implement, and evaluate a multipronged, evidence-based national strategy to reduce stigma toward people with mental and substance use disorders, says a new report from the National Academies of Sciences, Engineering, and Medicine.

U.S. adults perform comparably to adults in other economically developed countries on most measures of science knowledge and support science in general, says a new report from the National Academies of Sciences, Engineering, and Medicine.

The Advanced Research Projects Agency-Energy (ARPA-E) is making progress toward achieving its statutory mission and goals, says a new congressionally mandated report by the National Academies of Sciences, Engineering, and Medicine.

The U.S. Department of Energy should place a higher priority on developing an accurate and actionable inventory of agency-owned or managed properties that can be leased or sold for energy development, says a new report from the National Academies of Sciences, Engineering, and Medicine.

While significant progress has been made in providing open access to scientific research, a range of challenges -- including the economics of scientific publication and cultural barriers in the research enterprise -- must be overcome to further advance the openness of science, says a new report from the National Academies of Sciences, Engineering, and Medicine.

Despite significant cuts to NASAs Planetary Science Division budget early in this decade, the space agency has made impressive progress in meeting goals outlined in the 2013-2022 planetary decadal survey by the National Academies of Sciences, Engineering, and Medicine, says a new midterm assessment from the National Academies.

A new report from the National Academies of Sciences, Engineering, and Medicine recommends steps U.S. communities can take to better measure their progress in building resilience to disasters, including measuring resilience around multiple dimensions of a community, and incentivizing the measurement of resilience.

NASA, NSF, and NOAA have made substantial progress in implementing the programs recommended in the 2013 decadal survey on solar and space physics (heliophysics) despite a challenging budgetary landscape, says a new midterm assessment from the National Academies of Sciences, Engineering, and Medicine.

The new agreement and its potential impact on Point Loma Resources are discussed in a Mackie Research Capital Corp. report.

Access to water is often described as a basic human right, so rights violations may be committed where corporate activities interfere with individuals' access to water. Water supply is generally the responsibility of government, but recent Dutch research has suggested that corporate social responsibility (CSR) can have a significant impact on the sustainability of freshwater supply in countries with weak governance regimes.

The views of organisations and industries affected by marine protected areas (MPAs) have been gathered by a new survey. 36 organisations from the UK and France responded to the survey, which asked about the perceived socio-economic and environmental impacts of multiple-use MPAs. Environmental NGOs, managing agencies and research centres gave a largely positive response, while fishers’, shipping, and other industrial organisations perceived an overall negative impact on them. Gathering stakeholders’ views on MPAs may help improve socioeconomic outcomes through informing the planning and management of these marine areas, the researchers say.

Biofuels have a role in future energy production. However, the way in which they are produced and managed can determine if they benefit society, the economy and the environment, concludes a recent report on the sustainable production and use of biofuels.

Techniques for reducing the noise caused by wind turbines are reviewed in a new study. Noise pollution is one drawback of wind power and restricts where wind farms can be located in relation to people and wildlife. The researchers identify methods that could aid the design of low-noise wind turbines, including modifying the blade’s shape and adding rows of brushes to the edge of the blade.

The EU-27 have committed to a strategic goal of developing an innovative economy based on biotechnology and renewable resources — a so-called ‘bioeconomy’. To achieve this, however, the EU must successfully mobilise resources such as residual biomass — or waste products from organic matter resources. A new study1 has quantified the potential of key residual biomass streams in the EU-27. The results show that residual biomass has a theoretical energy potential equivalent to the annual energy consumption of Italy and Belgium combined, with straw and forestry residues comprising the two most productive potential sources. The findings also reveal specific opportunities for regions including Paris (France) and Jaen (south-central Spain).

The move towards smart mobility systems in cities across Italy, specifically in relation to public transport systems (including cycle infrastructure, and cycle and car-sharing schemes) has been assessed in a new study. The researchers say significant progress has been made in light of new guidelines imposed by the European Union, which is often linked to financial investment, as well as the capacity of city planners to implement changes.

Around 40% of the platinum used in EU catalytic converters is not recovered for recycling and is therefore ‘lost’ forever, indicates a new study. A more circular economy for platinum is essential to reduce imports of this critical raw material to the EU and minimise its damaging effects on the environment, the researchers argue. Better collection systems for end-of-life catalytic converters and tighter regulation of waste exports could help close the loop on platinum.

Cybercriminals are unleashing a surprisingly high volume of new threats in this short period of time to take advantage of inadvertent security gaps as organizations are in a rush to ensure business continuity.

Green spaces like urban parks can counteract the loss of plant and animal species caused by urbanisation. For many city dwellers, parks provide most of their experiences of natural spaces. Researchers have compared different methods of park management in Paris and Berlin, and assessed how they influence citizens' attitudes towards nature.

A new study has assessed community perceptions towards a controversial wind-farm development in Cornwall, UK, following installation. The results indicate that a range of social, economic and environmental factors influence residents’ perceptions of wind farms. Although negative opinions of the wind farm were found both before and after construction, overall, community attitudes towards them became more favourable after construction, adding to evidence that fear of living near wind farms can reduce over time.

Governments and industry must act quickly to address the impacts of rapidly rising volumes of 'nanowaste', according to research. The study warns against continuing unabated release of nanomaterials into the environment and outlines a number of practical steps that should be taken in order to start dealing with the problem.

A new study has developed risk assessment criteria for engineered nanomaterials (ENMs) to help inform innovation and policy decisions. It illustrates that product design can influence the unintended release of ENMs and that combining knowledge about the product life cycle with a systematic assessment of the potential hazards may enable responsible choices for future product developments to be made.

Researchers have experimented with microwave heating as a way of cleaning soils polluted with fuels, such as diesel and petrol. Soil type and moisture levels, as well as the strength of microwaves used, had a strong bearing on the overall effectiveness of the cleaning. The research shows that, at certain depths and in certain types of soil, microwaves can be a cost-effective way of cleaning polluted soils.

The majority of persistent organic pollutants (POPs) identified until now are banned or restricted around the world owing to concerns about their harm to ecosystems and human health. However, this is not the end of the story; even long-banned POPs still linger in the environment; others are still in use and are being directly emitted; and new POPs may be identified for which we have limited information. This Future Brief from Science for Environment Policy presents recent research into POPs’ potential impacts, the levels and future outlook for POPs in the environment and humans, and how we can reduce our use of POPs.

High-quality and innovative batteries are imperative for the EU in the context of its move towards a low-carbon, climate-friendly and more circular economy. However, manufacturing and using batteries, as well as the way they are treated at the end of their life, also has environmental impacts. This Future Brief from Science for Environment Policy provides an overview of technical aspects of battery design and production which enable the environmental footprint of batteries to be lowered. It also highlights how battery technologies are evolving to deliver better performance.