ISLAMABAD: In a shocking move, Federal Investigation Agency’s own internal inquiry has revealed how an official of the agency converted a business deal between two private parties into a human trafficking case and implicated innocent citizens in a bogus case.Raja Muhammad Ishaq — an...

This pro-bono initiative crowdsourced 4,500 drug designs, synthesized 311, and is now testing them against viral proteins

Apart from impressing people with her acting skills, Sara Ali Khan has also been acing her social media game. The actress who often uses rhyme schemes in her Instagram captions also entertains people with her 'Knock Knock Jokes'. Her brother Ibrahim Ali Khan is often seen accompanying her in these videos. In an exclusive chat with Bollywood Hungama, Sara Ali Khan spoke about these videos and how Ibrahim reacts to them.

Recently Sara Ali Khan posted a Tik Tok video where they are seen taking the challenge of ‘Who’s most likely to’. When asked about whose idea it was to make Tik Tok videos, Sara said, “I think Ibrahim was the first among all of us to get on to TikTok and he often tells me that 'Let's make a TikTok’. I asked him what to do because I am not good at this. The only thing I can do is Knock Knock Who's There, you don't find that very funny. He would be like ‘let's do this one’ and we just did it. As you can see, we did not know what the questions were going to be. We did not listen to the questions first and wanted it to be a surprise.

Talking about her popular Knock Knock jokes, Sara said, “I think Ibrahim needs to be told that. Because every time I go into his room in my nightie with my phone saying ‘knock knock’ and he is like ‘No Sara’ and I am like ‘Common please’. He always thinks I am not going to put it up because I am puffy, in my nightie, and choti (Ponytail). And I am like ‘Check Instagram’.”

Meanwhile, on the work front, Sara had started shooting for Atrangi Re before the lockdown was imposed. Atrangi Re directed by Aanand L Rai also stars Akshay Kumar and Dhanush.

ALSO READ: EXCLUSIVE: Sara Ali Khan opens up on brother Ibrahim Ali Khan’s Bollywood plans, says it’s only a dream right now

Ngannou stopped Jairzinho Rozenstruik in the opening stages of their three-round bout at UFC 249 in Jacksonville, Florida, putting himself well and truly in the mix for another title shot now.

Progressive Maharashtra is dotted with temples and dargahs that keep women out

Barcelona said that Samuel Umtiti picked up an injury to his right calf during Saturday's individual training session.

Collector directs the PSUs to hold mock drill on disaster preparedness within a week

X-ray double-crystal monochromators face a shift of the exit beam when the Bragg angle and thus the transmitted photon energy changes. This can be compensated for by moving one or both crystals accordingly. In the case of monolithic channel-cut crystals, which exhibit utmost stability, the shift of the monochromated beam is inevitable. Here we report performance tests of novel, asymmetrically cut, channel-cut crystals which reduce the beam movements by more than a factor of 20 relative to the symmetric case over the typical energy range of an EXAFS spectrum at the Cu K-edge. In addition, the presented formulas for the beam offset including the asymmetry angle directly indicate the importance of this value, which has been commonly neglected so far in the operation of double-crystal monochromators.

Multilayer monochromator devices are commonly used at (imaging) beamlines of synchrotron facilities to shape the X-ray beam to relatively small bandwidth and high intensity. However, stripe artefacts are often observed and can deteriorate the image quality. Although the intensity distribution of these artefacts has been described in the literature, their spectral distribution is currently unknown. To assess the spatio-spectral properties of the monochromated X-ray beam, the direct beam has been measured for the first time using a hyperspectral X-ray detector. The results show a large number of spectral features with different spatial distributions for a [Ru, B4C] strip monochromator, associated primarily with the higher-order harmonics of the undulator and monochromator. It is found that their relative contributions are sufficiently low to avoid an influence on the imaging data. The [V, B4C] strip suppresses these high-order harmonics even more than the former, yet at the cost of reduced efficiency.

MAX IV is a fourth-generation, or diffraction-limited, synchrotron light source with a number of state-of-the-art beamlines. The performance of a beamline is, to a high degree, set by the energy resolution it can achieve, which in turn is governed to a large extent by the monochromator. During the design phase of a monochromator, the mechanical requirements must be fully understood and met with margin. During commissioning, the performance must be verified and optimized. In this paper, six soft X-ray monochromators at MAX IV beamlines (Bloch, Veritas, HIPPIE, SPECIES, FinEstBeAMS and SoftiMAX) are examined with a focus on their resolving power, energy range and the time required to change measurement range, as those parameters are dependent on each other. The monochromators have a modern commercial design, planned and developed in close collaboration with the vendors. This paper aims to present the current status of the commissioning at MAX IV with emphasis on elucidating the mechanical limitations on the performance of the monochromators. It contains analysis of the outcome and our approach to achieve fast and high-resolution monochromators.

This feature article reviews the control and understanding of nanoparticle shape from their crystallography and growth. Particular emphasis is placed on systems relevant for plasmonics and catalysis.

Structures of the immunodominant protein P46 from M. hyopneumoniae has been determined by X-ray crystallography and it is shown that P46 can bind a diversity of oligosaccharides, particularly xylose, which exhibits a very high affinity for this protein. Structures of a monoclonal antibody, both alone and in complex with P46, that was raised against M. hyopnemoniae cells and specifically recognizes P46 are also reported.

The structure of the title compound, [Os(C6HF4S)4{P(C6H5)3}], has been previously reported [Arroyo et al. (1994). J. Chem. Soc. Dalton Trans. pp. 1819–1824], in the space group Poverline{1}. We have now obtained a monoclinic polymorph for this compound, crystallized from ethanol, while the previous form was obtained from a hexa­ne/chloro­form mixture. The mol­ecular structure is based on a trigonal–bipyramidal OsIV coordination geometry, close to that observed previously in the triclinic form.

Two polymorphs of the title compound, C19H16N2O3, were obtained from ethano­lic (polymorph I) and methano­lic solutions (polymorph II), respectively. Both polymorphs crystallize in the monoclinic system with four formula units per cell and a complete mol­ecule in the asymmetric unit. The main difference between the mol­ecules of (I) and (II) is the reversed position of the hy­droxy group of the carb­oxy­lic function. All other conformational features are found to be similar in the two mol­ecules. The different orientation of the OH group results in different hydrogen-bonding schemes in the crystal structures of (I) and (II). Whereas in (I) inter­molecular O—H⋯O hydrogen bonds with the pyridazinone carbonyl O atom as acceptor generate chains with a C(7) motif extending parallel to the b-axis direction, in the crystal of (II) pairs of inversion-related O—H⋯O hydrogen bonds with an R22(8) ring motif between two carb­oxy­lic functions are found. The inter­molecular inter­actions in both crystal structures were analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

Reliable sample delivery and efficient use of limited beam time have remained bottlenecks for serial crystallography (SX). Using a high-intensity polychromatic X-ray beam in combination with a newly developed charge-integrating JUNGFRAU detector, we have applied the method of fixed-target SX to collect data at a rate of 1 kHz at a synchrotron-radiation facility. According to our data analysis for the given experimental conditions, only about 3 000 diffraction patterns are required for a high-quality diffraction dataset. With indexing rates of up to 25%, recording of such a dataset takes less than 30 s.

High-resolution single-crystal X-ray measurements of the monoclinic polymorph of bicalutamide and the aspherical atom databank approach have served as a basis for a reconstruction of the charge density distribution of the drug and its androgen receptor (AR) and albumin complexes. The contributions of various types of intermolecular interactions to the total crystal energy or ligand:AR energy were estimated. The cyan and amide groups secured the ligand placement in the albumin (Lys-137) and the AR binding pocket (Leu-704, Asn-705, Arg-752), and also determined the packing of the small-molecule crystals. The total electrostatic interaction energy on average was −230 kJ mol−1, comparable with the electrostatic lattice energy of the monoclinic bicalutamide polymorph. This is the result of similar distributions of electropositive and electronegative regions on the experimental and theoretical molecular electrostatic potential maps despite differences in molecular conformations. In general, bicalutamide interacted with the studied proteins with similar electrostatic interaction energies and adjusted its conformation and electrostatic potential to fit the binding pocket in such a way as to enhance the interactions, e.g. hydrogen bonds and π⋯π stacking.

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.

Nanocrystallography has transformed our ability to interrogate the atomic structures of proteins, peptides, organic molecules and materials. By probing atomic level details in ordered sub-10 nm regions of nanocrystals, scanning nanobeam electron diffraction extends the reach of nanocrystallography and in principle obviates the need for diffraction from large portions of one or more crystals. Scanning nanobeam electron diffraction is now applied to determine atomic structures from digitally defined regions of beam-sensitive peptide nanocrystals. Using a direct electron detector, thousands of sparse diffraction patterns over multiple orientations of a given crystal are recorded. Each pattern is assigned to a specific location on a single nanocrystal with axial, lateral and angular coordinates. This approach yields a collection of patterns that represent a tilt series across an angular wedge of reciprocal space: a scanning nanobeam diffraction tomogram. Using this diffraction tomogram, intensities can be digitally extracted from any desired region of a scan in real or diffraction space, exclusive of all other scanned points. Intensities from multiple regions of a crystal or from multiple crystals can be merged to increase data completeness and mitigate missing wedges. It is demonstrated that merged intensities from digitally defined regions of two crystals of a segment from the OsPYL/RCAR5 protein produce fragment-based ab initio solutions that can be refined to atomic resolution, analogous to structures determined by selected-area electron diffraction. In allowing atomic structures to now be determined from digitally outlined regions of a nanocrystal, scanning nanobeam diffraction tomography breaks new ground in nanocrystallography.

A part of the system CaO-SiO2–Al2O3–Fe2O3–MgO which is of relevance to iron-ore sintering has been studied in detail. For a bulk composition corresponding to 10.45 wt% CaO, 5.49 wt% MgO, 69.15 wt% Fe2O3, 13.37 wt% Al2O3 and 1.55 wt% SiO2 synthesis runs have been performed in air in the range between 1100 and 1300°C. Products have been characterized using reflected-light microscopy, electron microprobe analysis and diffraction techniques. At 1250°C, an almost phase-pure material with composition Ca2.99Mg2.67Fe3+14.58Fe2+0.77Al4.56Si0.43O36 has been obtained. The compound corresponds to the first Si-containing representative of the M14+6nO20+8n polysomatic series of so-called SFCA phases (Silico-Ferrites of Calcium and Aluminum) with n = 2 and is denoted as SFCA-III. Single-crystal diffraction investigations using synchrotron radiation at the X06DA beamline of the Swiss Light Source revealed that the chemically homogenous sample contained both a triclinic and monoclinic polytype. Basic crystallographic data are as follows: triclinic form: a = 10.3279 (2) Å, b = 10.4340 (2) Å, c = 14.3794 (2) Å, α = 93.4888 (12)°, β = 107.3209 (14)° and γ = 109.6626 (14)°, V = 1370.49 (5) Å3, Z = 2, space group P{overline 1}; monoclinic form: a = 10.3277 (2) Å, b = 27.0134 (4) Å, c = 10.4344 (2) Å, β = 109.668 (2)°, V = 2741.22 (9) Å3, Z = 4, space group P21/n. Structure determination of both modifications was successful using diffraction data from the same allotwinned crystal. A description of the observed polytypism within the framework of OD-theory is presented. Triclinic and monoclinic SFCA-III actually correspond to the two possible maximum degree of order structures based on OD-layers containing three spinel (S) and one pyroxene (P) modules (〈S3P〉). The existence of SFCA-III in industrial iron-ore sinters has yet to be confirmed. Polytypism is likely to occur in other SFCA-members (SFCA, SFCA-I) relevant to sintering as well, but has so far been neglected in the characterization of industrial samples. Our results shed light on this phenomenon and may therefore be also helpful for better interpretation of the powder diffraction patterns that are used for phase analysis of iron-ore sinters.

An algorithm, based on the matching of q-vectors pairs, is combined with three-dimensional pattern matching using a nearest-neighbors approach to index Laue and monochromatic serial crystallography data recorded on small unit cell samples.

A putative open reading frame encoding GTP cyclohydrolase I from Listeria monocytogenes was expressed in a recombinant Escherichia coli strain. The recombinant protein was purified and was confirmed to convert GTP to dihydroneopterin triphosphate (Km = 53 µM; vmax = 180 nmol mg−1 min−1). The protein was crystallized from 1.3 M sodium citrate pH 7.3 and the crystal structure was solved at a resolution of 2.4 Å (Rfree = 0.226) by molecular replacement using human GTP cyclohydrolase I as a template. The protein is a D5-symmetric decamer with ten topologically equivalent active sites. Screening a small library of about 9000 compounds afforded several inhibitors with IC50 values in the low-micromolar range. Several inhibitors had significant selectivity with regard to human GTP cyclohydrolase I. Hence, GTP cyclohydrolase I may be a potential target for novel drugs directed at microbial infections, including listeriosis, a rare disease with high mortality.

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.

Molynocoelia erwini, is a new species of fruit fly from Ecuador recently described by USDA entomologist Allen Norrbom, who works in the Systematic Entomology Laboratory […]

The post “Molynocoelia erwini,” a new species of fruit fly from Ecuador appeared first on Smithsonian Insider.

Mycoplasma hyopneumoniae is a prokaryotic pathogen that colonizes the respiratory ciliated epithelial cells in swine. Infected animals suffer respiratory lesions, causing major economic losses in the porcine industry. Characterization of the immunodominant membrane-associated proteins from M. hyopneumoniae may be instrumental in the development of new therapeutic approaches. Here, the crystal structure of P46, one of the main surface-antigen proteins, from M. hyopneumoniae is presented and shows N- and C-terminal α/β domains connected by a hinge. The structures solved in this work include a ligand-free open form of P46 (3.1 Å resolution) and two ligand-bound structures of P46 with maltose (2.5 Å resolution) and xylose (3.5 Å resolution) in open and closed conformations, respectively. The ligand-binding site is buried in the cleft between the domains at the hinge region. The two domains of P46 can rotate with respect to each other, giving open or closed alternative conformations. In agreement with this structural information, sequence analyses show similarities to substrate-binding members of the ABC transporter superfamily, with P46 facing the extracellular side as a functional subunit. In the structure with xylose, P46 was also bound to a high-affinity (Kd = 29 nM) Fab fragment from a monoclonal antibody, allowing the characterization of a structural epitope in P46 that exclusively involves residues from the C-terminal domain. The Fab structure in the complex with P46 shows only small conformational rearrangements in the six complementarity-determining regions (CDRs) with respect to the unbound Fab (the structure of which is also determined in this work at 1.95 Å resolution). The structural information that is now available should contribute to a better understanding of sugar nutrient intake by M. hyopneumoniae. This information will also allow the design of protocols and strategies for the generation of new vaccines against this important swine pathogen.

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].

Populations of otters, grey seals and sea eagles are slowly recovering in Sweden, which is likely to be thanks in part to a ban on organochlorine chemicals, such as PCBs and DDT, in the 1970s, according to a new study. However, the research shows that negative effects of these chemicals on the reproductive health of female animals persisted for more than 15 years after the ban was introduced.

Pesticides that kill mosquitoes could have indirect effects on other species, according to researchers. The study indicated that a well-known mosquito insecticide led to reduced numbers of eggs and chick survival for house martin birds.

Almost a quarter of the world’s non-polar land surface experiences light pollution, and there is concern that this adversely affects illuminated ecosystems. Currently there is a global move from yellow sodium lighting to white LED lighting, which emits different wavelengths of light. A recent study found that LED artificial light at night (ALAN) reduced the biomass of periphyton by 62% in a freshwater drainage ditch in Westhavelland Nature Park, Brandenburg, Germany.

Populations of otters, grey seals and sea eagles are slowly recovering in Sweden, which is likely to be thanks in part to a ban on organochlorine chemicals, such as PCBs and DDT, in the 1970s, according to a new study. However, the research shows that negative effects of these chemicals on the reproductive health of female animals persisted for more than 15 years after the ban was introduced.

Weathering and abrasion are reported to cause titanium dioxide nanoparticles to escape from a self-cleaning coating for buildings. These particles may be toxic to humans and wildlife. The researchers have developed three indicators from the test results to help predict levels of nanoparticle release from these coatings.

FREDERICKSBURG , Va. – An additional evening of work is required this week for an ongoing pin replacement on the Robert O. Norris Bridge, and...

FREDERICKSBURG , Va. – An additional evening of work is required this week for an ongoing pin replacement on the Robert O. Norris Bridge, and...

NOV. 12, 2018 UPDATE: All lanes of Route 3 over the Rappahannock River between Lancaster and Middlesex counties will remain open this evening, Nov....

Watford’s Women’s FA Cup hopes ended in the fourth round as Sunderland prevailed in the clash of the National League high-flyers with a 2-0 victory in the north east.

ConocoPhillips estimates its voluntarily production cut in May will amount to 265,000 barrels of oil per day gross.

On June 5, Venus will cross the face of the sun. If you live in North America, Europe, Asia or eastern Africa, you'll be able to witness this historic celestial

For some opponents of nuclear power, no amount of planning or patching is enough. Among those critics is actor Alec Baldwin, whose thoughts on the subject carry

Michael Pollan explains that if farmers are only growing one or two crops, that means people are only eating one or two crops, which does not make for a healthy

Paper that stops bullets and yarn that conducts electricity.. it sounds like Sci Fi, but Nanocomp is making these futuristic dreams a reality.

A rampant scam can add $20 more to your phone bill if you hit redial. Make sure your kids know not to call the scammers back.

Highlights: Holmes' signed Heavyweight World Championship Belts + Tyson, Ali, other legendary boxers' ring-worn memorabilia

New location becomes the 15th urgent care center in the Jacksonville area affiliated with Baptist Health

A Unique and Wholly Immersive Theatrical Experience, "Found" Will Run September 25 through October 31, 2019 at The Cell Theatre in NYC

Feature film in development by Celestial Cinema Productions shows the triumphs of Armenian Immigrants.

Gregory Berns, the Distinguished Chair of Neuroeconomics at Emory University and author of "Iconoclast."

The price of imported ventilators starts from Rs 8 lakh and goes up to as high as Rs 25 lakh a unit.

Events such as losses, layoffs, unpaid leaves and salary cuts also affect us mentally, particularly in case of business shutdown. Layoffs or unpaid leaves for a long time can leave us extremely demotivated. This is where our self-belief matters the most; our belief in our self, our attitude and our capabilities.

The Pacific Northwest is one of the world's major timber-producing regions, and its capacity to produce wood on a sustained-yield basis is widely recognized. Nonetheless, there has been increasing public interest in assuring that forests are being sustainably managed, as well as a desire by landowners to demonstrate their commitment to responsible stewardship.

From Ølberg Strand. Taken with iPhone 11 Pro wide-angle and given some Lightroom fixes for sky effect.