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Stranded people can travel on ST buses free of cost in Maharashtra

Bus services for intra-State migrants to begin on Monday; non-stop journeys envisaged




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Five special trains leave city in a day

Nearly 6,000 migrant workers from various parts of Mumbai left the city in five Shramik Specials on Saturday, making it the highest number of trains t




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10 more trains to U.P. soon, claims Fadnavis

CM has assured safe passage for migrant workers, says Sharad Pawar




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Coronavirus | Fatalities dog Andhra Pradesh, Telangana battle against virus

Two expatriates test positive in Kerala; Karnataka focuses on Bengaluru cases




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At least 2 died in separate avalanches in Italy

The Trento Alpine Rescue service said the body of one man was found late Saturday on the Folgaria plateau after an avalanche separated him from his dog.




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Coronavirus cases worldwide surpass 4 million

The number of novel coronavirus cases recorded worldwide surpassed four million on Saturday, according to an AFP tally based on official sources, as o




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S. Korea reports 34 new coronavirus cases, highest in a month

The outbreak came just as South Korea has eased some social distancing restrictions and is seeking to fully reopen schools and businesses




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Coronavirus India lockdown Day 47 updates | Death toll crosses 2,100

Globally, as of 9 May 2020, there have been 3,862,676 confirmed cases, including 265,961 deaths, reported to WHO.




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Indian naval ship arrives in Kochi with evacuees from the Maldives

Most of the 698 Indians, of whom 440 are from Kerala, were stranded in the island country after they lost their jobs




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The competition between dehydrogenation and dehydration reactions for primary and secondary alcohols over gallia: unravelling the effects of molecular and electronic structure via a two-pronged theoretical/experimental approach

Catal. Sci. Technol., 2020, Advance Article
DOI: 10.1039/C9CY02603G, Paper
Lorella Izzo, Tommaso Tabanelli, Fabrizio Cavani, Paola Blair Vàsquez, Carlo Lucarelli, Massimo Mella
The relative dehydrogenation/dehydration reactivity imparted by nanostructured gallium(III) oxide on alcohols was investigated via electronic structure calculations, reactivity tests and DRIFT-IR spectroscopy.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Hyderabad: Birthday party trigger for 45 coronavirus cases in LB Nagar




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Salon owner in Madurai feeds 615 families with Rs 5 lakh he saved for daughter

While people are holding-on to their savings, C Mohan (47), owner of a salon in Madurai has pulled out Rs 5 lakh, which he has been saving for his daughter’s education, to help more than 600 families to survive the lockdown onslaught. Mohan has distributed a kit each of 5kg rice, vegetables, groceries and cooking oil over the past one week to 615 families.




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Rajasthan: How tourist hub Pushkar kept coronavirus at bay

Pushkar has become a role model for keeping foreign tourists safe and not a single person has tested positive for Covid-19 in the last two months.




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Alert train driver averts accident near Pune, saves 20 migrants’ lives

An alert loco driver of a goods train saved the lives of at least 20 migrant workers by applying the emergency brakes and halting the train just 100 metres away from them near Pune on Friday evening. The migrants were walking on the tracks between the Uruli and Loni stations. The incident happened barely 14 hrs after 16 migrants were killed on Aurangabad tracks.




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‘Disaster could have been of a greater magnitude’

The tank behaved like a pressure cooker, say experts




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‘No short supply of Aavin milk’

Minister for Dairy Development K.T. Rajenthra Bhalaji, on Saturday, said there was no short supply of Aavin milk in any part of Chennai or Tamil Nadu.




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Naval ship arrives in Kochi with 698 repatriated Indians from Maldives

Passengers showing Covid-19 symptoms are being disembarked first, followed by others in small groups, district-wise, says a Cochin Port Trust official




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Coronavirus in US: Obama calls Trump’s response as chaotic disaster

Obama cast the US response to the virus as an outgrowth of tribalism as he sought to emphasise the urgency of the November election




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COVID-19: Return of Bundesliga in fresh jeopardy as Dynamo Dresden confirms two new coronavirus cases ahead of restart

The Bundesliga and Bundesliga 2 are set to be back underway on May 16.




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Coronavirus Outbreak: COVID-19 tally in India nears 63,000-mark; death toll tops 2,000-mark

Maharashtra has the highest number of cases with around 20,228 positive cases of infection and 779 deaths.




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Naval ship arrives in Kochi with Indians from Maldives

This is the Indian Navy's first massive evacuation exercise from foreign soil during the COVID-19 lockdown.




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13 lakh registered migrants in Haryana have rejoined work, says Khattar




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Have you heard of the Zone diet? Here’s all you need to know




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UFC cuts bout after fighter tests positive for coronavirus




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Microsecond time-resolved X-ray diffraction for the investigation of fatigue behavior during ultrasonic fatigue loading

A new method based on time-resolved X-ray diffraction is proposed in order to measure the elastic strain and stress during ultrasonic fatigue loading experiments. Pure Cu was chosen as an example material for the experiments using a 20 kHz ultrasonic fatigue machine mounted on the six-circle diffractometer available at the DiffAbs beamline on the SOLEIL synchrotron facility in France. A two-dimensional hybrid pixel X-ray detector (XPAD3.2) was triggered by the strain gage signal in a synchronous data acquisition scheme (pump–probe-like). The method enables studying loading cycles with a period of 50 µs, achieving a temporal resolution of 1 µs. This allows a precise reconstruction of the diffraction patterns during the loading cycles. From the diffraction patterns, the position of the peaks, their shifts and their respective broadening can be deduced. The diffraction peak shift allows the elastic lattice strain to be estimated with a resolution of ∼10−5. Stress is calculated by the self-consistent scale-transition model through which the elastic response of the material is estimated. The amplitudes of the cyclic stresses range from 40 to 120 MPa and vary linearly with respect to the displacement applied by the ultrasonic machine. Moreover, the experimental results highlight an increase of the diffraction peak broadening with the number of applied cycles.




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X-ray free-electron laser wavefront sensing using the fractional Talbot effect

Wavefront sensing at X-ray free-electron lasers is important for quantitatively understanding the fundamental properties of the laser, for aligning X-ray instruments and for conducting scientific experimental analysis. A fractional Talbot wavefront sensor has been developed. This wavefront sensor enables measurements over a wide range of energies, as is common on X-ray instruments, with simplified mechanical requirements and is compatible with the high average power pulses expected in upcoming X-ray free-electron laser upgrades. Single-shot measurements were performed at 500 eV, 1000 eV and 1500 eV at the Linac Coherent Light Source. These measurements were applied to study both mirror alignment and the effects of undulator tapering schemes on source properties. The beamline focal plane position was tracked to an uncertainty of 0.12 mm, and the source location for various undulator tapering schemes to an uncertainty of 1 m, demonstrating excellent sensitivity. These findings pave the way to use the fractional Talbot wavefront sensor as a routine, robust and sensitive tool at X-ray free-electron lasers as well as other high-brightness X-ray sources.




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A modulation wave approach to the order hidden in disorder

A modulation wave approach is used to interpret the coupled longer range as well as truly short range order hidden in the highly structured diffuse intensity distributions of three representative such systems. The longer range as well as the truly short range order simultaneously encoded in such highly structured diffuse intensity distributions is highlighted.













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Macromolecular X-ray crystallography: soon to be a road less travelled?

From the perspective of a young(ish) structural biologist who currently specialises in macromolecular X-ray crystallography, are the best years of crystallography over? Some evidence and hopefully thought-provoking analysis is presented here on the subject.




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Impact and behavior of Sn during the Ni/GeSn solid-state reaction

Ni-based intermetallics are promising materials for forming efficient contacts in GeSn-based Si photonic devices. However, the role that Sn might have during the Ni/GeSn solid-state reaction (SSR) is not fully understood. A comprehensive analysis focused on Sn segregation during the Ni/GeSn SSR was carried out. In situ X-ray diffraction and cross-section transmission electron microscopy measurements coupled with energy-dispersive X-ray spectrometry and electron energy-loss spectroscopy atomic mappings were performed to follow the phase sequence, Sn distribution and segregation. The results showed that, during the SSR, Sn was incorporated into the intermetallic phases. Sn segregation happened first around the grain boundaries (GBs) and then towards the surface. Sn accumulation around GBs hampered atom diffusion, delaying the growth of the Ni(GeSn) phase. Higher thermal budgets will thus be mandatory for formation of contacts in high-Sn-content photonic devices, which could be detrimental for thermal stability.




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Energetics of interactions in the solid state of 2-hydroxy-8-X-quinoline derivatives (X = Cl, Br, I, S-Ph): comparison of Hirshfeld atom, X-ray wavefunction and multipole refinements

In this work, two methods of high-resolution X-ray data refinement: multipole refinement (MM) and Hirshfeld atom refinement (HAR) – together with X-ray wavefunction refinement (XWR) – are applied to investigate the refinement of positions and anisotropic thermal motion of hydrogen atoms, experiment-based reconstruction of electron density, refinement of anharmonic thermal vibrations, as well as the effects of excluding the weakest reflections in the refinement. The study is based on X-ray data sets of varying quality collected for the crystals of four quinoline derivatives with Cl, Br, I atoms and the -S-Ph group as substituents. Energetic investigations are performed, comprising the calculation of the energy of intermolecular interactions, cohesive and geometrical relaxation energy. The results obtained for experimentally derived structures are verified against the values calculated for structures optimized using dispersion-corrected periodic density functional theory. For the high-quality data sets (the Cl and -S-Ph compounds), both MM and XWR could be successfully used to refine the atomic displacement parameters and the positions of hydrogen atoms; however, the bond lengths obtained with XWR were more precise and closer to the theoretical values. In the application to the more challenging data sets (the Br and I compounds), only XWR enabled free refinement of hydrogen atom geometrical parameters, nevertheless, the results clearly showed poor data quality. For both refinement methods, the energy values (intermolecular interactions, cohesive and relaxation) calculated for the experimental structures were in similar agreement with the values associated with the optimized structures – the most significant divergences were observed when experimental geometries were biased by poor data quality. XWR was found to be more robust in avoiding incorrect distortions of the reconstructed electron density as a result of data quality issues. Based on the problem of anharmonic thermal motion refinement, this study reveals that for the most correct interpretation of the obtained results, it is necessary to use the complete data set, including the weak reflections in order to draw conclusions.




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Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3

MICAL is an oxidoreductase that participates in cytoskeleton reorganization via actin disassembly in the presence of NADPH. Although three MICALs (MICAL1, MICAL2 and MICAL3) have been identified in mammals, only the structure of mouse MICAL1 has been reported. Here, the first crystal structure of human MICAL3, which contains the flavin-containing monooxygenase (FMO) and calponin-homology (CH) domains, is reported. MICAL3 has an FAD/NADP-binding Rossmann-fold domain for mono­oxygenase activity like MICAL1. The FMO and CH domains of both MICAL3 and MICAL1 are highly similar in structure, but superimposition of the two structures shows a different relative position of the CH domain in the asymmetric unit. Based on kinetic analyses, the catalytic efficiency of MICAL3 dramatically increased on adding F-actin only when the CH domain was available. However, this did not occur when two residues, Glu213 and Arg530, were mutated in the FMO and CH domains, respectively. Overall, MICAL3 is structurally highly similar to MICAL1, which suggests that they may adopt the same catalytic mechanism, but the difference in the relative position of the CH domain produces a difference in F-actin substrate specificity.




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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56

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.




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The flavin mononucleotide cofactor in α-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level

The Y128F single mutant of p-hydroxymandelate oxidase (Hmo) is capable of oxidizing mandelate to benzoate via a four-electron oxidative decarboxylation reaction. When benzoylformate (the product of the first two-electron oxidation) and hydrogen peroxide (an oxidant) were used as substrates the reaction did not proceed, suggesting that free hydrogen peroxide is not the committed oxidant in the second two-electron oxidation. How the flavin mononucleotide (FMN)-dependent four-electron oxidation reaction takes place remains elusive. Structural and biochemical explorations have shed new light on this issue. 15 high-resolution crystal structures of Hmo and its mutants liganded with or without a substrate reveal that oxidized FMN (FMNox) possesses a previously unknown electrophilic/nucleophilic duality. In the Y128F mutant the active-site perturbation ensemble facilitates the polarization of FMNox to a nucleophilic ylide, which is in a position to act on an α-ketoacid, forming an N5-acyl-FMNred dead-end adduct. In four-electron oxidation, an intramolecular disproportion­ation reaction via an N5-alkanol-FMNred C'α carbanion intermediate may account for the ThDP/PLP/NADPH-independent oxidative decarboxylation reaction. A synthetic 5-deaza-FMNox cofactor in combination with an α-hydroxyamide or α-ketoamide biochemically and structurally supports the proposed mechanism.




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Shack–Hartmann wavefront sensors based on 2D refractive lens arrays and super-resolution multi-contrast X-ray imaging

Different approaches of 2D lens arrays as Shack–Hartmann sensors for hard X-rays are compared. For the first time, a combination of Shack–Hartmann sensors for hard X-rays (SHSX) with a super-resolution imaging approach to perform multi-contrast imaging is demonstrated. A diamond lens is employed as a well known test object. The interleaving approach has great potential to overcome the 2D lens array limitation given by the two-photon polymerization lithography. Finally, the radiation damage induced by continuous exposure of an SHSX prototype with a white beam was studied showing a good performance of several hours. The shape modification and influence in the final image quality are presented.




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Real- and Q-space travelling: multi-dimensional distribution maps of crystal-lattice strain (∊044) and tilt of suspended monolithic silicon nanowire structures

Silicon nanowire-based sensors find many applications in micro- and nano-electromechanical systems, thanks to their unique characteristics of flexibility and strength that emerge at the nanoscale. This work is the first study of this class of micro- and nano-fabricated silicon-based structures adopting the scanning X-ray diffraction microscopy technique for mapping the in-plane crystalline strain (∊044) and tilt of a device which includes pillars with suspended nanowires on a substrate. It is shown how the micro- and nanostructures of this new type of nanowire system are influenced by critical steps of the fabrication process, such as electron-beam lithography and deep reactive ion etching. X-ray analysis performed on the 044 reflection shows a very low level of lattice strain (<0.00025 Δd/d) but a significant degree of lattice tilt (up to 0.214°). This work imparts new insights into the crystal structure of micro- and nanomaterial-based sensors, and their relationship with critical steps of the fabrication process.




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Impact and behavior of Sn during the Ni/GeSn solid-state reaction

A comprehensive analysis focused on Sn segregation during the Ni/GeSn solid-state reaction was carried out. It was demonstrated that Sn is soluble in the various Ni/GeSn intermetallic phases and that, when the temperature increases, the Sn segregation occurs first at grain boundaries, which can hamper Ni diffusion and delay the intermetallic formation.




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Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state

Neutron crystal structure analysis of hen egg-white lysozyme hydrogen/deuterium exchanged before crystallization were performed by the joint X-ray and neutron refinement. The differences in hydrogen/deuterium exchange behavior between this study and previous ones were observed.




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Fossil teeth of 15-million-year-old browsing horse found in Panama Canal excavations.

The fossil teeth of a 15- to 18-million-year-old three-toed browsing horse, Anchitherium clarencei, were recently discovered by scientists from the Smithsonian Tropical Research Institute and the […]

The post Fossil teeth of 15-million-year-old browsing horse found in Panama Canal excavations. appeared first on Smithsonian Insider.




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DNA evidence is rearranging the branches of the avian family tree

When songwriter Oscar Hammerstein penned the lyrics “fish gotta swim, birds gotta fly,” he clearly did not have the ratites in mind. Large flightless birds, the ratites include ostriches, emus, rheas and cassowaries, along with kiwis and several extinct species.

The post DNA evidence is rearranging the branches of the avian family tree appeared first on Smithsonian Insider.




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Females are giants in newly discovered species of golden orb weaver spider

Native to Africa and Madagascar, females of the species have a body length of 1.5 inches and a leg span of 4 to 5 inches. Males are tiny in comparison.

The post Females are giants in newly discovered species of golden orb weaver spider appeared first on Smithsonian Insider.




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Drugged spiders’ web spinning may hold keys to understanding animal behavior

“Spinning under the influence” is one way to describe recent activities in the Costa Rican laboratory of Smithsonian scientist William Eberhard. An entomologist at the Smithsonian’s Tropical Research Institute, Eberhard recently carried out a series of experiments in which he observed the web-building behavior of dozens of spiders under the influence of drugs—specifically, a chemical injected into their bodies by parasitic wasps.

The post Drugged spiders’ web spinning may hold keys to understanding animal behavior appeared first on Smithsonian Insider.