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Punjab CM announces door-to-door distribution of 10 lakh packets of dry rations to daily wagers




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Punjab Police distribute 1.9 lakh food packets




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Punjab Police distribute nearly 1.9 lakh food packets across state




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Allow firms to use CSR contributions to assist Punjab: Amarinder




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PGI-Chandigarh to contribute Rs 2.15 crore to PM-CARES Fund




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NGO distributes food among needy in Ludhiana amid lockdown




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Happy Mother's Day: Ayushmann Khurrana's dedication 'Ma' is the sweetest tribute to mothers

Ayushmann Khurrana unveiled his song 'Ma', a soothing tribute to all the mothers out there celebrating the day




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Contributions for COVID-19 relief pour in

Contributions continued to pour in for COVID-19 relief in Tamil Nadu. The Ola Group announced a contribution of ₹50 lakh to the Tamil Nadu Chief Minis




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Teacher of Delhi school involved in distributing ration tests COVID-19 positive

The teacher was posted at a primary school in Wazirabad under the North Delhi Municipal Corporation.




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Combating Covid-19: Chenchu tribe taps nature to make masks

At a time when governments are struggling to reach out to some tribal hamlets located deep inside the forest, like the Chenchus of Nallamalla forest, have made personal protective equipment such as face masks from leaves of teak and sal trees. They are also not stepping out from their hamlets, except to collect forest produce once or twice a week.




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Linear array detector for online diagnostics of spectral distributions at MHz repetition rates

Free-electron lasers (FELs) based on superconducting accelerator technology and storage ring facilities operate with bunch repetition rates in the MHz range, and the need arises for bunch-by-bunch electron and photon diagnostics. For photon-pulse-resolved measurements of spectral distributions, fast one-dimensional profile monitors are required. The linear array detector KALYPSO (KArlsruhe Linear arraY detector for MHz-rePetition rate SpectrOscopy) has been developed for electron bunch or photon pulse synchronous read-out with frame rates of up to 2.7 MHz. At the FLASH facility at DESY, a current version of KALYPSO with 256 pixels has been installed at a grating spectrometer as online diagnostics to monitor the pulse-resolved spectra of the high-repetition-rate FEL pulses. Application-specific front-end electronics based on MicroTCA standard have been developed for data acquisition and processing. Continuous data read-out with low latency in the microsecond range enables the integration into fast feedback applications. In this paper, pulse-resolved FEL spectra recorded at 1.0 MHz repetition rate for various operation conditions at FLASH are presented, and the first application of an adaptive feedback for accelerator control based on photon beam diagnostics is demonstrated.




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X-ray fluorescence analysis of metal distributions in cryogenic biological samples using large-acceptance-angle SDD detection and continuous scanning at the Hard X-ray Micro/Nano-Probe beamline P06 at PETRA III

A new Rococo 2 X-ray fluorescence detector was implemented into the cryogenic sample environment at the Hard X-ray Micro/Nano-Probe beamline P06 at PETRA III, DESY, Hamburg, Germany. A four sensor-field cloverleaf design is optimized for the investigation of planar samples and operates in a backscattering geometry resulting in a large solid angle of up to 1.1 steradian. The detector, coupled with the Xspress 3 pulse processor, enables measurements at high count rates of up to 106 counts per second per sensor. The measured energy resolution of ∼129 eV (Mn Kα at 10000 counts s−1) is only minimally impaired at the highest count rates. The resulting high detection sensitivity allows for an accurate determination of trace element distributions such as in thin frozen hydrated biological specimens. First proof-of-principle measurements using continuous-movement 2D scans of frozen hydrated HeLa cells as a model system are reported to demonstrate the potential of the new detection system.




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Contributions of charge-density research to medicinal chemistry

Contributions of experimental and selected theoretical charge-density research to medicinal chemistry are reviewed; combining experimental methods from high-resolution small-molecule and macromolecular crystallography with theory proves to be fruitful.





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Trimethyl 4,4',4''-(ethene-1,1,2-tri­yl)tribenzoate

The title compound, C26H22O6, is formed as the major product from the reaction between syn-1,2-bis­(pinacolatoboron)-1,2-bis­(4-methyl­carb­oxy­phen­yl)ethene and excess methyl 4-iodo­benzoate in basic DMSO using a palladium catalyst at 80°C via Suzuki coupling followed by protodeboronation. Crystals were grown by slow evaporation of a hexa­nes solution at room temperature.




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Tetra­aqua­[3-oxo-1,3-bis­(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate

The crystal structure of the title compound, [Ni(C13H11N2O2)(H2O)4]Br3·2H2O, contains an octa­hedral NiII atom coordinated to the enol form of 1,3-di­pyridyl­propane-1,3-dione (dppo) and four water mol­ecules. Both pyridyl rings on the ligand are protonated, forming pyridinium rings and creating an overall ligand charge of +1. The protonated nitro­gen-containing rings are involved in hydrogen-bonding inter­actions with neighoring bromide anions. There are many additional hydrogen-bonding inter­actions involving coordinated water mol­ecules on the NiII atom, bromide anions and hydration water mol­ecules.




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Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase

Indanomycin is biosynthesized by a hybrid nonribosomal peptide synthase/polyketide synthase (NRPS/PKS) followed by a number of `tailoring' steps to form the two ring systems that are present in the mature product. It had previously been hypothesized that the indane ring of indanomycin was formed by the action of IdmH using a Diels–Alder reaction. Here, the crystal structure of a selenomethionine-labelled truncated form of IdmH (IdmH-Δ99–107) was solved using single-wavelength anomalous dispersion (SAD) phasing. This truncated variant allows consistent and easy crystallization, but importantly the structure was used as a search model in molecular replacement, allowing the full-length IdmH structure to be determined to 2.7 Å resolution. IdmH is a homodimer, with the individual protomers consisting of an α+β barrel. Each protomer contains a deep hydrophobic pocket which is proposed to constitute the active site of the enzyme. To investigate the reaction catalysed by IdmH, 88% of the backbone NMR resonances were assigned, and using chemical shift perturbation of [15N]-labelled IdmH it was demonstrated that indanomycin binds in the active-site pocket. Finally, combined quantum mechanical/molecular mechanical (QM/MM) modelling of the IdmH reaction shows that the active site of the enzyme provides an appropriate environment to promote indane-ring formation, supporting the assignment of IdmH as the key Diels–Alderase catalysing the final step in the biosynthesis of indanomycin through a similar mechanism to other recently characterized Diels–Alderases involved in polyketide-tailoring reactions. An animated Interactive 3D Complement (I3DC) is available in Proteopedia at https://proteopedia.org/w/Journal:IUCrJ:S2052252519012399.




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Distinguishing contributions of ceramic matrix and binder metal to the plasticity of nanocrystalline cermets

Using the typical WC–Co cemented carbide as an example, the interactions of dislocations within the ceramic matrix and the binder metal, as well as the possible cooperation and competition between the matrix and binder during deformation of the nanocrystalline cermets, were studied by molecular dynamics simulations. It was found that at the same level of strain, the dislocations in Co have more complex configurations in the cermet with higher Co content. With loading, the ratio between mobile and sessile dislocations in Co becomes stable earlier in the high-Co cermet. The strain threshold for the nucleation of dislocations in WC increases with Co content. At the later stage of deformation, the growth rate of WC dislocation density increases more rapidly in the cermet with lower Co content, which exhibits an opposite tendency compared with Co dislocation density. The relative contribution of Co and WC to the plasticity of the cermet varies in the deformation process. With a low Co content, the density of WC dislocations becomes higher than that of Co dislocations at larger strains, indicating that WC may contribute more than Co to the plasticity of the nanocrystalline cermet at the final deformation stage. The findings in the present work will be applicable to a large variety of ceramic–metal composite materials.




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FXD-CSD-GUI: a graphical user interface for the X-ray-diffraction-based determination of crystallite size distributions

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.




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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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The nondestructive measurement of strain distributions in air plasma sprayed thermal barrier coatings as a function of depth from entire Debye–Scherrer rings

The residual strain distribution has been measured as a function of depth in both top coat and bond coat in as-received and heat-treated air plasma sprayed thermal barrier coating samples. High-energy synchrotron X-ray beams were used in transmission to produce full Debye–Scherrer rings whose non-circular aspect ratio gave the in-plane and out-of-plane strains far more efficiently than the sin2ψ method. The residual strain in the bond coat is found to be tensile and the strain in the β phase of the as-received sample was measured. The residual strains observed in the top coat were generally compressive (increasing towards the interface), with two kinds of nonlinear trend. These was a `jump' feature near the interface, and in some cases there was another `jump' feature near the surface. It is shown how these trend differences can be correlated to cracks in the coating.




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Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling

Molybdenum oxides and sulfides on various low-cost high-surface-area supports are excellent catalysts for several industrially relevant reactions. The surface layer structure of these materials is, however, difficult to characterize due to small and disordered MoOx domains. Here, it is shown how X-ray total scattering can be applied to gain insights into the structure through differential pair distribution function (d-PDF) analysis, where the scattering signal from the support material is subtracted to obtain structural information on the supported structure. MoOx catalysts supported on alumina nanoparticles and on zeolites are investigated, and it is shown that the structure of the hydrated molybdenum oxide layer is closely related to that of disordered and polydisperse polyoxometalates. By analysing the PDFs with a large number of automatically generated cluster structures, which are constructed in an iterative manner from known polyoxometalate clusters, information is derived on the structural motifs in supported MoOx.




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Shape-fitting analyses of two-dimensional X-ray diffraction spots for strain-distribution evaluation in a β-FeSi2 nanofilm

New fitting analyses of two-dimensional diffraction-spot shapes are demonstrated to evaluate strain, strain distribution and domain size in a crystalline ultra-thin film. The evaluations are displayed as residual and population maps as a function of strain or domain size.




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Disorder in La1−xBa1+xGaO4−x/2 ionic conductor: resolving the pair distribution function through insight from first-principles modeling

Ba excess in LaBaGaO4 triggers ionic conductivity together with structural disorder. A direct correlation is found between the density functional theory model energy and the pair distribution function fit residual.




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Microstructure and water distribution in catalysts for polymer electrolyte fuel cells, elucidated by contrast variation small-angle neutron scattering

By using small-angle neutron scattering (SANS) reinforced by scanning electron microscopy, the fine structure of catalysts for polymer electrolyte fuel cells has been investigated. The experimental data resulting from contrast variation with mixed light and heavy water (H2O/D2O) are well described by a core–shell model with fluctuations in concentration between water and Nafion.




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A study of the strain distribution by scanning X-ray diffraction on GaP/Si for III–V monolithic integration on silicon

The distribution of plastic relaxation defects is studied using a nondestructive sub-micrometre X-ray diffraction scanning technique.




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Exact and fast calculation of the X-ray pair distribution function

A fast and exact algorithm to calculate the powder pair distribution function (PDF) for the case of periodic structures is presented. The algorithm especially improves X-ray and electron PDF calculations, and the handling of instrumental resolution functions.




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sasPDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data

The sasPDF method, an extension of the atomic pair distribution function (PDF) analysis to the small-angle scattering (SAS) regime, is presented. The method is applied to characterize the structure of nanoparticle assemblies with different levels of structural order.




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Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations

The crystal structure of the organic pigment 2-monomethyl-quinacridone (Pigment Red 192, C21H14N2O2) was solved from X-ray powder diffraction data. The resulting average structure is described in space group Poverline 1, Z = 1 with the molecule on the inversion centre. The molecules are arranged in chains. The molecules, which have no inversion symmetry, show orientational head-to-tail disorder. In the average structure, the methyl group is disordered and found on both ends of the molecule with an occupancy of 0.5 each. The disorder and the local structure were investigated using various ordered structural models. All models were analysed by three approaches: Rietveld refinement, structure refinement to the pair distribution function (PDF) and lattice-energy minimization. All refinements converged well. The Rietveld refinement provided the average structure and gave no indication of a long-range ordering. The refinement to the PDF turned out to be very sensitive to small structural details, giving insight into the local structure. The lattice-energy minimizations revealed a significantly preferred local ordering of neighbouring molecules along the [0ar 11] direction. In conclusion, all methods indicate a statistical orientational disorder with a preferred parallel orientation of molecules in one direction. Additionally, electron diffraction revealed twinning and faint diffuse scattering.




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Orientational disorder of mono­methyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair-distribution function and lattice-energy minimizations

The crystal structure of the nanocrystalline pigment mono­methyl-quinacridone was solved from X-ray powder data. The orientational disorder was investigated using Rietveld refinements, structure refinement to the pair-distribution function, and lattice-energy minimizations of various ordered structural models.




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Net survey: For quarter century, scientists have been counting creatures traveling Chesapeake Bay tributary

More than 25 years ago, researchers at the Smithsonian Environmental Research Center's Fish and Invertebrate Ecology Lab began taking weekley surveys of the species that make their way in and out of Muddy Creek.

The post Net survey: For quarter century, scientists have been counting creatures traveling Chesapeake Bay tributary appeared first on Smithsonian Insider.




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Thepytus carmen, a newly described species of butterfly from Brazil

Thepytus carmen, a newly described species of butterfly from Brazil, was recently named in memory of Carmen Lúcia Buck in recognition of the gracious support […]

The post Thepytus carmen, a newly described species of butterfly from Brazil appeared first on Smithsonian Insider.




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National Museum of Natural History’s coral collection used in Caribbean agricultural and sewage pollution study

A study published in the journal Global Change Biology finds that while fertilizer has been the dominant source of nitrogen pollution in Caribbean coastal ecosystems for the past 50 years, such pollution is on the decline, thanks in part to the introduction of more advanced, environmentally responsible agricultural practices during the last decade.

The post National Museum of Natural History’s coral collection used in Caribbean agricultural and sewage pollution study appeared first on Smithsonian Insider.





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New species of deep-sea catshark described from the Galapagos

Scientists conducting deep-sea research in the Galapagos have described a new species of catshark. The new shark is approximately a foot long and has a chocolate-brown coloration with pale, irregularly distributed spots on its body. The spotted patterns appear to be unique to each individual.

The post New species of deep-sea catshark described from the Galapagos appeared first on Smithsonian Insider.




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Human shadow cast over the Caribbean slows coral growth

Striking Caribbean sunsets occur when particles in the air scatter incoming sunlight. But a particulate shadow over the sea may have effects underwater. A research […]

The post Human shadow cast over the Caribbean slows coral growth appeared first on Smithsonian Insider.




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Trapped in Amber: Ancient fossils reveal remarkable stability of Caribbean lizard communities

Tiny Anolis lizards preserved since the Miocene in amber are giving scientists a true appreciation of the meaning of community stability. Dating back some 15 […]

The post Trapped in Amber: Ancient fossils reveal remarkable stability of Caribbean lizard communities appeared first on Smithsonian Insider.




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Smithsonian scientist creating DNA database to track Caribbean conch and lobster

Smothered in tartar sauce and cheese it’s difficult to know just what species of fish lurks beneath the breaded surface of a fast-food fish sandwich. […]

The post Smithsonian scientist creating DNA database to track Caribbean conch and lobster appeared first on Smithsonian Insider.




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Sacred shrew mummies reveal species distribution in ancient Egypt

Nocturnal, solitary and fiercely territorial the adult Egyptian pigmy shrew—one of the smallest mammals on earth—weighs just 7 grams. French zoologist Isidore Geoffroy Saint-Hilaire first […]

The post Sacred shrew mummies reveal species distribution in ancient Egypt appeared first on Smithsonian Insider.




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New bright orange-red scorpionfish discovered deep in Caribbean

Meet Scorpaenodes barrybrowni is a scorpionfish species newly discovered by Smithsonian scientists using a manned submersible in the deep-reef waters of the Caribbean island of Curaçao. It […]

The post New bright orange-red scorpionfish discovered deep in Caribbean appeared first on Smithsonian Insider.




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Fishy Caribbean ‘juveniles’ recognized as new species

Living in deep reefs in the Atlantic Ocean, the banded basslet, a small and colorful species with a wide range of distribution, has long been […]

The post Fishy Caribbean ‘juveniles’ recognized as new species appeared first on Smithsonian Insider.




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Meet the candy striped hermit crab, a new Caribbean species

Recent underwater photographs and video from the National Marine Park of the southern Caribbean island of Bonaire has led to the discovery of a new species […]

The post Meet the candy striped hermit crab, a new Caribbean species appeared first on Smithsonian Insider.




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Translesion synthesis polymerases contribute to meiotic chromosome segregation and cohesin dynamics in S. pombe [RESEARCH ARTICLE]

Tara L. Mastro, Vishnu P. Tripathi, and Susan L. Forsburg

Translesion synthesis polymerases (TLSPs) are non-essential error-prone enzymes that ensure cell survival by facilitating DNA replication in the presence of DNA damage. In addition to their role in bypassing lesions, TLSPs have been implicated in meiotic double strand break repair in several systems. Here we examine the joint contribution of four TLS polymerases to meiotic progression in the fission yeast S. pombe. We observed the dramatic loss of spore viability in fission yeast lacking all four TLSPs which is accompanied by disruptions in chromosome segregation during meiosis I and II. Rec8 cohesin dynamics are altered in the absence of the TLSPs. These data suggest that the TLSPs contribute to multiple aspects of meiotic chromosome dynamics.




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Cluster-mining: an approach for determining core structures of metallic nanoparticles from atomic pair distribution function data

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.




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Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models

A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search criteria and performs structure refinements on them without human intervention. It supports both X-ray and neutron PDFs. Tests on various material systems show the effectiveness and robustness of the algorithm in finding the correct atomic crystal structure. It works on crystalline and nanocrystalline materials including complex oxide nanoparticles and nanowires, low-symmetry and locally distorted structures, and complicated doped and magnetic materials. This approach could greatly reduce the traditional structure searching work and enable the possibility of high-throughput real-time auto-analysis PDF experiments in the future.






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Facebook comes to rescue of ichythyologists struggling to describe specimens

Speeding Up Science from Facebook Stories on Vimeo. In January 2011, Oregon State University ichthyologist Brian Sidlauskas led a research expedition into the little-known Cuyuni […]

The post Facebook comes to rescue of ichythyologists struggling to describe specimens appeared first on Smithsonian Insider.