In the crystal structure of the title compound, [Fe(NCS)2(C12H9NO)2(CH4O)2], the FeII cations are octa­hedrally coordinated by two N atoms of 4-benzoyl­pyridine ligands, two N atoms of two terminal iso­thio­cyanate anions and two methanol mol­ecules into discrete complexes that are located on centres of inversion. These complexes are linked via inter­molecular O—H⋯O hydrogen bonds between the methanol O—H H atoms and the carbonyl O atoms of the 4-benzoyl­pyridine ligands, forming layers parallel to (101). Powder X-ray diffraction proved that a pure sample was obtained but that this compound is unstable and transforms into an unknown crystalline phase within several weeks. However, the solvent mol­ecules can be removed by heating in a thermobalance, which for the aged sample as well as the title compound leads to the formation of a compound with the composition Fe(NCS)2(4-benzoyl­pyridine)2, which exhibits a powder pattern that is similar to that of Mn(NCS)2(4-benzoyl­pyridine)2.

The title centrosymmetric NiII complex, [Ni(NCS)2(C15H22N2O2)2], crystallizes with one half mol­ecule in the asymmetric unit of the monoclinic unit cell. The complex adopts an octa­hedral coordination geometry with two mutually trans benzyl-2-(heptan-4-yl­idene)hydrazine-1-carboxyl­ate ligands in the equatorial plane with the axial positions occupied by N-bound thio­cyanato ligands. The overall conformation of the mol­ecule is also affected by two, inversion-related, intra­molecular C—H⋯O hydrogen bonds. The crystal structure features N—H⋯S, C—H⋯S and C—H⋯N hydrogen bonds together with C—H⋯π contacts that stack the complexes along the b-axis direction. The packing was further explored by Hirshfeld surface analysis. The thermal properties of the complex were also investigated by simultaneous TGA–DTA analyses.

Model building into experimental maps is a key element of structural biology, but can be both time consuming and error prone for low-resolution maps. Here we present Namdinator, an easy-to-use tool that enables the user to run a molecular dynamics flexible fitting simulation followed by real-space refinement in an automated manner through a pipeline system. Namdinator will modify an atomic model to fit within cryo-EM or crystallography density maps, and can be used advantageously for both the initial fitting of models, and for a geometrical optimization step to correct outliers, clashes and other model problems. We have benchmarked Namdinator against 39 deposited cryo-EM models and maps, and observe model improvements in 34 of these cases (87%). Clashes between atoms were reduced, and the model-to-map fit and overall model geometry were improved, in several cases substantially. We show that Namdinator is able to model large-scale conformational changes compared to the starting model. Namdinator is a fast and easy tool for structural model builders at all skill levels. Namdinator is available as a web service (https://namdinator.au.dk), or it can be run locally as a command-line tool.

The fully automatic processing of crystals of macromolecules has presented a unique opportunity to gather information on the samples that is not usually recorded. This has proved invaluable in improving sample-location, characterization and data-collection algorithms. After operating for four years, MASSIF-1 has now processed over 56 000 samples, gathering information at each stage, from the volume of the crystal to the unit-cell dimensions, the space group, the quality of the data collected and the reasoning behind the decisions made in data collection. This provides an unprecedented opportunity to analyse these data together, providing a detailed landscape of macromolecular crystals, intimate details of their contents and, importantly, how the two are related. The data show that mosaic spread is unrelated to the size or shape of crystals and demonstrate experimentally that diffraction intensities scale in proportion to crystal volume and molecular weight. It is also shown that crystal volume scales inversely with molecular weight. The results set the scene for the development of X-ray crystallography in a changing environment for structural biology.

Jeholopsyche liaoningensis is a new genus and species of flying insect from northeastern China, recently revealed in two new fossil specimens.

The post Meet the 125-million-year-old pollinator “Jeholopsyche liaoningensis” appeared first on Smithsonian Insider.

Food is scarce in the deep, dark regions of the ocean where barbeled dragonfishes and their relatives dwell. Known as the Stomiidae, some of these […]

The post Odd anatomy: flexible joint between skull and spine allow dragonfish to open wide appeared first on Smithsonian Insider.

The scientists staked out dozens of the gingers night and day while the plants flowered, but no long-proboscid pollinator ever appeared. Climate change, they surmised, was responsible for the loss of this highly specialized and now, perhaps forever unknown insect.

The post With specialist pollinator absent, Himalayan gingers must adapt appeared first on Smithsonian Insider.

Orchids are beautiful, but their beauty can be deceiving. Most orchids don’t have any nectar, yet they cheat their pollinators into thinking that they do […]

The post The Secret Life of Orchids – Part II: Pollinators appeared first on Smithsonian Insider.

What might lure someone away from the sunny beaches and lush forests of Brazil to the concrete jungle of Washington, D.C.? For wood anatomist Marcelo […]

The post Rigid yet flexible: Anatomy of woody vines has its grip on botanist Marcelo Pace appeared first on Smithsonian Insider.

The title complex, Cu(L)2 or [Cu(C15HF10O2)2], comprising one copper ion and two fully fluorinated ligands (L−), was crystallized with 3,4-ethyl­ene­dioxy­thio­phene (EDOT, C6H6O2S) as a guest mol­ecule to give in a di­chloro­methane solution a unique co-crystal, Cu(L)2·3C6H6O2S.

Long-term population trends for some North American pollinators -- bees, birds, bats, and other animals and insects that spread pollen so plant fertilization can occur -- are demonstrably downward, says a new report from the National Research Council.

The worldwide decline of pollinators could increase cases of vitamin and micronutrient deficiencies in humans, new research suggests. For instance, pollination is needed for the crops that produce half of all plant-derived vitamin A across much of south-east Asia. Furthermore, areas which depend most on pollination for micronutrient supply tend to be poorer and already at higher risk of deficiencies.

Researchers have found that crops which rely heavily on pollinators have lower yields compared to less pollinator-dependent crops. They also have slower growth in yields and less stable yields from year to year. The results highlight the importance of managing biodiversity to support ecosystem services, such as pollination, on which much modern agriculture depends.

Falling levels of insect pollination are causing declining yields of important agricultural crops. However, new research from South Africa now indicates that planting small patches of native flowers in agricultural fields can be a profitable and sustainable method of increasing pollination and yield.

As bee populations decline, exposure of pollinators to pesticides is of increasing concern. Italian research has now demonstrated that an index of exposure which accounts for insect behaviour, as well as pesticide application, provides a valuable tool for assessing the realistic risk of pesticides to pollinators.

Since the 1990s, rates of biodiversity loss of wild plants and their insect pollinators have slowed down in north-west Europe, according to a recent study. It is likely that conservation activities, such as agri-environmental schemes, have contributed to this improving situation.

Agri-environmental schemes (AES) do successfully enhance the number and variety of insect pollinators, research suggests. They are particularly effective when implemented in arable landscapes which also contain some semi-natural habitat.

Pollination by wild insects and honey bees improves soybean yield by 18%, new research has indicated. This equates to an extra 331.6 kg of seeds per hectare, boosting the value of the global crop by €12.74 billion. Encouraging insect pollination could therefore reduce the destruction of natural ecosystems to make way for soybean cultivation, the researchers say.

Urban areas may support higher levels of bee diversity than expected, new research has shown. The UK-wide study compared three different habitat types - nature reserves, farmland, and urban areas - and found a higher number of different bee species in urban areas than farmland. However, the overall pollinator diversity, which included species of bees, flies, hoverflies and butterflies, did not differ significantly between all three landscape types. The researchers call for more attention to be paid to the role of green spaces in cities which can be important habitats for pollinators.

Human activity is transforming natural systems and endangering the ecosystem services they provide, which has consequences for human health. This study quantified the human health impact of losses to pollination, providing the first global analysis of its kind. The researchers say pollinator declines could increase the global disease burden and recommend increased monitoring of pollinators in at-risk regions, including Eastern and Central Europe.

To estimate the losses of wild pollinators across Great Britain, a study mapped records of 353 wild bee and hoverfly species, collected across the country from 1980 to 2013. It found that a third of species decreased, while a tenth increased. On average, the geographic range of bee and hoverfly species declined by a quarter, which equates to a net loss of 11 species from each 1km grid square (with uncommon species more harshly affected), highlighting a significant risk to biodiversity, pollinators, and their ecosystems.

As bee populations decline, exposure of pollinators to pesticides is of increasing concern. Italian research has now demonstrated that an index of exposure which accounts for insect behaviour, as well as pesticide application, provides a valuable tool for assessing the realistic risk of pesticides to pollinators.

Senators tried (again) to sneak a last-minute approval for the controversial Keystone XL pipeline into a new transportation bill. But a record-setting 500,000 s

Top polluters would pay $20 per ton of carbon emissions under the carbon tax plan, with 60 percent of the revenue returned to each U.S. resident.

Donating money to help the bees is as easy as adding a mustache to your cat's (or your friend's) photo.

The apiarian artery is the buzziest infrastructure project in Scandinavia.

Robert Byrd's death will create a void that may directly affect environmental policy.

Life across the globe depends on bees, butterflies, birds, bats and other pollinators. Test your knowledge about these vital creatures.

Bipartisan 'Chemical Safety Improvement Act' would require more safety regulation for chemicals while making it easier for those that pass to get on the market.

Breaking from many in her party, Alaska's Lisa Murkowski says 'there is a role' for the federal loan program that financed the now-bankrupt solar firm.

In 'agrivoltaics,' crops and solar panels not only share land and sunlight, but also help each other function more efficiently.

Do you know the anatomy of a camcorder? If you don't, talking to sales people can be confusing and make it difficult to select a camcorder. We will help you though with a brief lesson on the anatomy of these devices to help you shop with confidence.

Ms. Maresca-Sanatore has prospered greatly as the owner of LMS Design

Sen. Muegge has been endorsed by Marquis Who's Who as a leader in the field of governance

An accomplished author, humanitarian, and politician, Ms. Book was inducted into the Broward County Women's Hall of Fame in 2018

Scotsman Guide Releases Top Originators 2019 Rankings

Scotsman Guide Releases Top Originators 2019 Rankings

Scotsman Guide Releases Top Originators 2019 Rankings

Scotsman Guide Releases Top Originators 2019 Rankings

Scotsman Guide Releases Top Originators 2019 Rankings

Professional take-up system for wide format ink jet printers

Vyre Network is growing and with that growth Connector Mario Chelsea joins the team

Fight clubs and fashion designers are betting on "The Bronze Bomber" worn by Deontay Wilder, designed by Cosmo & Donato.

  Pollination and its importance Without pollination, you can’t have the fruits of your effort (pun intended as always ;-). Pollination is a process where the pollen from the male parts of the flower are transferred to female flower or female parts of the flower. This step has to happen for fruit set to happen. […]

The committee will consist of four Democrat and three Republican senators. Democratic senators include David Frockt, Manka Dhingra, Christine Rolfes and Rebecca Saldana and Republicans include senators Randi Becker, Tim Sheldon, while one member is yet to be named.

They have also asked for the suspension of the Optional Practical Training (OPT) programme which lets foreign students in science, technology, engineering and mathematics (STEM) work in the United States for up to three years after graduating. In 2019, over 223,000 people had their OPTs approved or extended.

Sen. Rand Paul, R-Ky., said Sunday that he had tested positive for the disease caused by the new coronavirus, becoming the first member of the Senate to report a case of COVID-19. He said in a tweet that he was feeling fine and was in quarantine.

Grand Canyon Wilderness Coordinator Recognized as Leader in Wilderness Stewardship for Intermountain Region https://www.nps.gov/grca/learn/news/grand-canyon-wilderness-coordinator-recognized-as-leader-in-wilderness-stewardship-for-intermountain-region.htm