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Lockdown in Tamil Nadu: 800 guest workers stage protest at Kudankulam Nuclear Power Plant, attack cops

Lockdown in Tamil Nadu: 800 guest workers stage protest at Kudankulam Nuclear Power Plant, attack cops




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Tattoo artist held with husband for snatching

Tattoo artist held with husband for snatching




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3 cops hurt in chopper attack near Marine Drive

3 cops hurt in chopper attack near Marine Drive




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Countries should pay attention to the most vulnerable: Tedros Ghebreyesus

He said, more than 3.5 million cases of Covid-19 and almost 250,000 deaths have now been reported to WHO.




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BJP MP Sunny Deol attends rally in Pathankot




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Punjab stops biometric attendance to check COVID-19




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Coronavirus: Public parade ceremony at Attari-Wagah border stopped, till further orders, from March 7




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Covid-19: Indo-Pak check post in Punjab's Attari closed




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India allows 29 residents to cross Attari check post




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Release MPLAD funds to battle coronavirus: Badal couple




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Combatting COVID-19: SAD to donate one month's salary to Punjab CM Relief Fund




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Religious sects come forward in battle against COVID-19




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Policeman on curfew duty dies of heart attack in Punjab




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Last rites of 2 Ludhiana men killed in Kabul Gurdwara attack performed




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1,300 Punjab cops moved from VIP duties to battle corona




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Tablighi event attendee tests positive for COVID-19 in Punjab's Kapurthala; Punjab death tally 7




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Punjab brings private hospitals under ambit for corona battle




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Bhagwat Mann, Sirsa condemn attack on Punjab cops, demand strict action




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7 held for chopping off cop's hand, attacking others in Patiala, Punjab




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COVID-19 lockdown: Cop's hand chopped off, others injured in attack by 'Nihangs' in Patiala, Punjab




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HS Phoolka condemns attack on Punjab cops, calls for trial to be completed in 10 days




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9 persons arrested in connection with attack on Punjab cops




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Barnala, Patti Jails to be made quarantine centres: Punjab Govt




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ASI Harjeet Singh promoted as SI for exemplary courage during Patiala Sabzi Mandi attack




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Girls in Punjab's Hoshiarpur make homemade masks in battle against COVID-19




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High-velocity wind, rain flatten wheat crop in Punjab, Haryana




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Stay strong to win battle, says Punjab Police Covid-19 'warrior'




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Punjab CM urges all CMs to pursue matter of 3-pronged strategy with PM Modi




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Punjab SI Harjeet Singh finally discharged after hand reattachment surgery




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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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Chhattisgarh: Baloda Bazaar-Bhatapara to use lockdown fine for buying PPE kits

Baloda Bazaar-Bhatapara district has come up with a great idea to contribute in the fight against the coronavirus pandemic. The amount of financial penalties recovered from the lockdown violators will be used for procuring safety kits for the doctors and health workers.




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After two heart attacks, 74-year-old Gujarat cancer patient slays Covid-19

"If cancer could do me no harm, what can Covid do?" This was the confidence that 74-year-old Yusuf Hotelwala exuded while leaving for the Covid care centre in Vadodara after testing positive a week ago. On Saturday, Hotelwala, who suffers from peritoneal mesothelioma and has already survived two heart attacks was beaming as doctors confirmed his recovery.




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Why Irrfan picked Piku over Matt Damon

'For the first time, I was seen in an overt romantic role.'




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Call of duty gets equal attention as her infant

As a mother of newborn baby, this 24-year-old emergency medical technician (EMT) working with the 108 emergency ambulance service was eligible for six months maternity leave. But made of sterner stuff, Riddhi Chavda, couldn’t wait to rejoin duty.




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




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Plea in Punjab and Haryana HC seeks directions to health facilities to attend non-Covid cases




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Microfluidic electrochemical cell for in situ structural characterization of amorphous thin-film catalysts using high-energy X-ray scattering

Porous, high-surface-area electrode architectures are described that allow structural characterization of interfacial amorphous thin films with high spatial resolution under device-relevant functional electrochemical conditions using high-energy X-ray (>50 keV) scattering and pair distribution function (PDF) analysis. Porous electrodes were fabricated from glass-capillary array membranes coated with conformal transparent conductive oxide layers, consisting of either a 40 nm–50 nm crystalline indium tin oxide or a 100 nm–150 nm-thick amorphous indium zinc oxide deposited by atomic layer deposition. These porous electrodes solve the problem of insufficient interaction volumes for catalyst thin films in two-dimensional working electrode designs and provide sufficiently low scattering backgrounds to enable high-resolution signal collection from interfacial thin-film catalysts. For example, PDF measurements were readily obtained with 0.2 Å spatial resolution for amorphous cobalt oxide films with thicknesses down to 60 nm when deposited on a porous electrode with 40 µm-diameter pores. This level of resolution resolves the cobaltate domain size and structure, the presence of defect sites assigned to the domain edges, and the changes in fine structure upon redox state change that are relevant to quantitative structure–function modeling. The results suggest the opportunity to leverage the porous, electrode architectures for PDF analysis of nanometre-scale surface-supported molecular catalysts. In addition, a compact 3D-printed electrochemical cell in a three-electrode configuration is described which is designed to allow for simultaneous X-ray transmission and electrolyte flow through the porous working electrode.




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White beam diagnostics using X-ray back-scattering from a CVD diamond vacuum window

Collecting back-scattered X-rays from vacuum windows using a pinhole X-ray camera provides an efficient and reliable method of measuring the beam shape and position of the white synchrotron beam. In this paper, measurements are presented that were conducted at ESRF beamline ID6 which uses an in-vacuum cryogenically cooled permanent-magnet undulator (CPMU18) and a traditional U32 undulator as its radiation sources, allowing tests to be performed at very high power density levels that were adjusted by changing the gap of the undulators. These measurements show that it is possible to record beam shape and beam position using a simple geometry without having to place any further items in the beam path. With this simple test setup it was possible to record the beam position with a root-mean-square noise figure of 150 nm.




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Picosecond pump–probe X-ray scattering at the Elettra SAXS beamline

A new setup for picosecond pump–probe X-ray scattering at the Austrian SAXS beamline at Elettra-Sincrotrone Trieste is presented. A high-power/high-repetion-rate laser has been installed on-site, delivering UV/VIS/IR femto­second-pulses in-sync with the storage ring. Data acquisition is achieved by gating a multi-panel detector, capable of discriminating the single X-ray pulse in the dark-gap of the Elettra hybrid filling mode. Specific aspects of laser- and detection-synchronization, on-line beam steering as well protocols for spatial and temporal overlap of laser and X-ray beam are also described. The capabilities of the setup are demonstrated by studying transient heat-transfer in an In/Al/GaAs superlattice structure and results are confirmed by theoretical calculations.




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IRIXS: a resonant inelastic X-ray scattering instrument dedicated to X-rays in the intermediate energy range

A new resonant inelastic X-ray scattering (RIXS) instrument has been constructed at beamline P01 of the PETRA III synchrotron. This instrument has been named IRIXS (intermediate X-ray energy RIXS) and is dedicated to X-rays in the tender-energy regime (2.5–3.5 keV). The range covers the L2,3 absorption edges of many of the 4d elements (Mo, Tc, Ru, Rh, Pd and Ag), offering a unique opportunity to study their low-energy magnetic and charge excitations. The IRIXS instrument is currently operating at the Ru L3-edge (2840 eV) but can be extended to the other 4d elements using the existing concept. The incoming photons are monochromated with a four-bounce Si(111) monochromator, while the energy analysis of the outgoing photons is performed by a diced spherical crystal analyzer featuring (102) lattice planes of quartz (SiO2). A total resolution of 100 meV (full width at half-maximum) has been achieved at the Ru L3-edge, a number that is in excellent agreement with ray-tracing simulations.




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Beyond simple small-angle X-ray scattering: developments in online complementary techniques and sample environments

Possibilities in auxiliary technique combinations with small- and wide-angle X ray scattering are described, as well as more complicated sample environments used in X-ray and neutron scattering.




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Diffuse scattering and partial disorder in complex structures

This review discusses the state of the field of single-crystal diffuse scattering (SCDS), including detectors, data collection and the modelling techniques. High quality, three-dimensional volumes of SCDS data can now be collected at synchrotron light sources, allowing increasingly detailed and quantitative analyses to be undertaken.




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Investigating increasingly complex macromolecular systems with small-angle X-ray scattering

A review of recent and ongoing development and results within the field of biological solution small-angle X-ray scattering (BioSAXS), with a focus on the increasing complexity of biological samples, data collection and data evaluation strategies.






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Structure-based screening of binding affinities via small-angle X-ray scattering

Protein–protein and protein–ligand interactions often involve conformational changes or structural rearrangements that can be quantified by solution small-angle X-ray scattering (SAXS). These scattering intensity measurements reveal structural details of the bound complex, the number of species involved and, additionally, the strength of interactions if carried out as a titration. Although a core part of structural biology workflows, SAXS-based titrations are not commonly used in drug discovery contexts. This is because prior knowledge of expected sample requirements, throughput and prediction accuracy is needed to develop reliable ligand screens. This study presents the use of the histidine-binding protein (26 kDa) and other periplasmic binding proteins to benchmark ligand screen performance. Sample concentrations and exposure times were varied across multiple screening trials at four beamlines to investigate the accuracy and precision of affinity prediction. The volatility ratio between titrated scattering curves and a common apo reference is found to most reliably capture the extent of structural and population changes. This obviates the need to explicitly model scattering intensities of bound complexes, which can be strongly ligand-dependent. Where the dissociation constant is within 102 of the protein concentration and the total exposure times exceed 20 s, the titration protocol presented at 0.5 mg ml−1 yields affinities comparable to isothermal titration calorimetry measurements. Estimated throughput ranges between 20 and 100 ligand titrations per day at current synchrotron beamlines, with the limiting step imposed by sample handling and cleaning procedures.




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Zn and Ni complexes of pyridine-2,6-di­carboxyl­ates: crystal field stabilization matters!

Six reaction products of ZnII and NiII with pyridine-2,6-di­carb­oxy­lic acid (H2Lig1), 4-chloro­pyridine-2,6-di­carb­oxy­lic acid (H2Lig2) and 4-hy­droxy­pyridine-2,6-di­carb­oxy­lic acid (H2Lig3) are used to pinpoint the structural consequences of crystal field stabilization by an incomplete d shell. The pseudo-octa­hedral ZnII coordination sphere in bis­(6-carb­oxy­picolinato)zinc(II) trihydrate, [Zn(C7H4NO4)2]·3H2O or [Zn(HLig1)2]·3H2O, (1), is significantly less regular than that about NiII in the isostructural compound bis­(6-carb­oxy­picolinato)nickel(II) trihydrate, [Ni(C7H4NO4)2]·3H2O or [Ni(HLig1)2]·3H2O, (2). The ZnII complexes poly[(4-chloro­pyridine-2,6-di­carboxyl­ato)zinc(II)], [Zn(C7H2ClNO4)]n or [Zn(Lig2)]n, (3), and poly[[(4-hy­droxy­pyridine-2,6-di­carboxyl­ato)zinc(II)] monohydrate], {[Zn(C7H3NO5)]·H2O}n or {[Zn(Lig3)]·H2O}n, (4), represent two-dimensional coordination polymers with chelating and bridging pyridine-2,6-di­carboxyl­ate ligands in which the coordination polyhedra about the central cations cannot be associated with any regular shape; their coordination environments range between trigonal–bipyramidal and square-pyramidal geometries. In contrast, the corresponding adducts of the diprotonated ligands to NiII, namely tri­aqua­(4-chloro­pyridine-2,6-di­carboxyl­ato)nickel(II), [Ni(C7H2ClNO4)(H2O)3] or [NiLig2(OH2)3)], (5), and tri­aqua­(4-hy­droxy­pyridine-2,6-di­carboxyl­ato)nickel(II) 1.7-hydrate, [Ni(C7H3NO5)(H2O)3]·1.7H2O or [NiLig3(OH2)3)]·1.7H2O, (6), feature rather regular octa­hedral coordination spheres about the transition-metal cations, thus precluding the formation of analogous extended structures.




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Six 1-aroyl-4-(4-meth­oxy­phen­yl)piperazines: similar mol­ecular structures but different patterns of supra­molecular assembly

Six new 1-aroyl-4-(4-meth­oxy­phen­yl)piperazines have been prepared, using coupling reactions between benzoic acids and N-(4-meth­oxy­phen­yl)piperazine. There are no significant hydrogen bonds in the structure of 1-benzoyl-4-(4-meth­oxy­phen­yl)piperazine, C18H20N2O2, (I). The mol­ecules of 1-(2-fluoro­benzo­yl)-4-(4-meth­oxy­phen­yl)piperazine, C18H19FN2O2, (II), are linked by two C—H⋯O hydrogen bonds to form chains of rings, which are linked into sheets by an aromatic π–π stacking inter­action. 1-(2-Chloro­benzo­yl)-4-(4-meth­oxy­phen­yl)piperazine, C18H19ClN2O2, (III), 1-(2-bromo­benzo­yl)-4-(4-meth­oxy­phen­yl)piperazine, C18H19BrN2O2, (IV), and 1-(2-iodo­benzo­yl)-4-(4-meth­oxyphen­yl)piperazine, C18H19IN2O2, (V), are isomorphous, but in (III) the aroyl ring is disordered over two sets of atomic sites having occupancies of 0.942 (2) and 0.058 (2). In each of (III)–(V), a combination of two C—H⋯π(arene) hydrogen bonds links the mol­ecules into sheets. A single O—H⋯O hydrogen bond links the mol­ecules of 1-(2-hy­droxy­benzo­yl)-4-(4-meth­oxy­phen­yl)piperazine, C18H20N2O3, (VI), into simple chains. Comparisons are made with the structures of some related compounds.




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Crystal structures and Hirshfeld surface analyses of (E)-N'-benzyl­idene-2-oxo-2H-chromene-3-carbo­hydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimeth­oxybenzyl­idene)-2H-chromene-3-carbohydrazide: lattice ene

The crystal structures of the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-tri­meth­oxy­benzyl­idene)-2H-chromene-3-carbohydrazide, C20H18N2O6·0.5C2H6OS, and (E)-N'-benzyl­idene-2-oxo-2H-chromene-3-carbohydrazide, C17H12N2O3 (4: R = C6H5), are discussed. The non-hydrogen atoms in compound [4: R = (3,4,5-MeO)3C6H2)] exhibit a distinct curvature, while those in compound, (4: R = C6H5), are essential coplanar. In (4: R = C6H5), C—H⋯O and π–π intra­molecular inter­actions combine to form a three-dimensional array. A three-dimensional array is also found for the hemi-DMSO solvate of [4: R = (3,4,5-MeO)3C6H2], in which the mol­ecules of coumarin are linked by C—H⋯O and C—H⋯π inter­actions, and form tubes into which the DMSO mol­ecules are cocooned. Hirshfeld surface analyses of both compounds are reported, as are the lattice energy and inter­molecular inter­action energy calculations of compound (4: R = C6H5).




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Crystal structures and Hirshfeld surface analyses of (E)-N'-benzyl­idene-2-oxo-2H-chromene-3-carbo­hydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimeth­oxybenzyl­idene)-2H-chromene-3-carbohydrazide: lattice ene

In the paper by Gomes et al. [Acta Cryst. (2019), E75, 1403–1410], there was an error and omission in the author and affiliation list.