tab Getac enhances its range of versatile Android devices with launch of AI-ready fully rugged tablet By www.retailtechnologyreview.com Published On :: Getac has introduced the AI-ready ZX80, a brand new 8-inch fully rugged tablet, powered by the versatile Android operating system. Full Article Mobile Computers
tab Paper packaging sales stabilising, as decline slows from 17% in Q1 to 12% in Q2, and to 9% in August By www.retailtechnologyreview.com Published On :: Fri, 13 Nov 8240 17:28:37 +0000 New data from Demica, the fintech, reveals that the paper packaging sector in key markets across Europe and North America is showing signs of stabilisation. Full Article Internet Retailing Critical Issues
tab Established vendors and new entrants compete in buoyant self-checkout market By www.retailtechnologyreview.com Published On :: 2022 was the second highest year of activity in the global self-checkout market, according to a brand-new report from RBR Data Services, a division of Datos Insights. Global EPOS and Self-Checkout 2023 shows that with an ever-wider range of retailers embracing the technology, competition in the market remains fierce. Full Article EPoS Systems Critical Issues
tab Retailers seek adaptable POS software to enhance customer experience By www.retailtechnologyreview.com Published On :: The number of POS software installations at major retail and hospitality operators worldwide surpassed 9 million as of June 2023, according to a new study from strategic research and consulting firm RBR Data Services, a division of Datos Insights. Full Article EPoS Systems Critical Issues
tab Ukraine's invasion of Kursk: Last gasp before inevitable defeat By english.pravda.ru Published On :: Tue, 13 Aug 2024 19:21:00 +0300 The actions of the Armed Forces of Ukraine in the Kursk region of Russia produced a bombshell effect in media space. Yet, Armed Forces of Ukraine are doomed to lose. The operation of the Armed Forces of Ukraine in the Kursk region came as a surprise for Russia. Ukraine was competent in conducting it tactically with quick breakthroughs and deployment of second echelons under the protection of electronic warfare. Ukrainian soldiers managed to dig in in a number of settlements, and it will take the Russian troops some time to annihilate the enemy there. The Russian Armed Forces have no other option but to create a sanitary zone in the Sumy region. Full Article Incidents
tab PPDS brings more ‘zero power’ choice and opportunity to business with new 13” Philips Tableaux 4150 ePaper displays at InfoComm 2024 By www.retailtechnologyreview.com Published On :: PPDS, the exclusive global provider of Philips Professional Displays and complementary hardware and software solutions, has announced the latest evolution of its multi-award-winning ePaper with Android SoC signage range, launching the new 13” Philips Tableaux 4150 at InfoComm 2024. Full Article Digital Signage Exhibitions and Events
tab For blood quality and men's health: which vegetables need to be boiled By english.pravda.ru Published On :: Wed, 19 Apr 2023 21:17:00 +0300 Margarita Koroleva, a professor at the Federal Medical and Biological Agency of Russia, a doctor of medical sciences and a dietician, shared her recommendations regarding the way of cooking vegetables to get the best of them. Some vegetables should be boiled to extract as many nutrients as possible. For example, boiled carrots are better absorbed by the body than raw ones, which allows us to obtain more vitamin A from this vegetable. When tomatoes and red peppers are thermally processed, lycopene, a wonderful antioxidant that is highly beneficial for tissue and blood health, is activated and better absorbed by the body. The specialist also advised people with digestive problems should consume boiled turnip and radish, as their nutrients are better digested by the human body if those vegetables are boiled. Full Article Health
tab National Football Team to Keep Tab on Son's Injury Ahead of World Cup Qualifiers By world.kbs.co.kr Published On :: Mon, 30 Sep 2024 15:22:27 +0900 [Sports] : Men's national football team head coach Hong Myung-bo has cast doubt over captain Son Heung-min's availability in the upcoming World Cup qualifiers next month. During a press conference on Monday, Hong announced the roster for October's World Cup qualifiers, which included the Tottenham Hotspur star ...[more...] Full Article Sports
tab 11 Easiest Vegetables to Grow Throughout the Year By home.howstuffworks.com Published On :: Wed, 24 Jul 2024 12:56:01 -0400 Starting your own vegetable garden can be a rewarding and delicious hobby. But choosing the right vegetables can make the difference between a bountiful harvest and a frustrating experience. If you're a beginner, you'll want to start with the easiest vegetables to grow in different seasons. Full Article
tab BGS updates national CO2 storage database - Agg-Net By news.google.com Published On :: Tue, 30 Jan 2024 08:00:00 GMT BGS updates national CO2 storage database Agg-Net Full Article
tab My role as a stable isotope research assistant - British Geological Survey By news.google.com Published On :: Tue, 19 Dec 2023 08:00:00 GMT My role as a stable isotope research assistant British Geological Survey Full Article
tab BGS collaborates with Icelandic colleagues to assess windfarm suitability - British Geological Survey By news.google.com Published On :: Thu, 03 Oct 2024 07:00:00 GMT BGS collaborates with Icelandic colleagues to assess windfarm suitability British Geological Survey Full Article
tab Update released for BGS open-source database software, ETL Helper - British Geological Survey By news.google.com Published On :: Tue, 09 Jul 2024 07:00:00 GMT Update released for BGS open-source database software, ETL Helper British Geological Survey Full Article
tab Structural transformations and stability of benzo[a]pyrene under high pressure By journals.iucr.org Published On :: This study explores the high-pressure behavior of benzo[a]pyrene, revealing two previously unknown polymorphs at 4.8 and 7.1 GPa. These findings enhance our understanding of the structural dynamics and stability of polycyclic aromatic hydrocarbons under extreme conditions. Full Article text
tab Variable stoichiometry and salt-cocrystal intermediate in the multicomponents of flucytosine: structural elucidation and its impact on stability By journals.iucr.org Published On :: Five multicomponent solid forms of an antifungal drug flucytosine are reported with a hygroscopic stability study. A detailed CSD search on the cocrystal/salts of flucytosine is evaluated and correlated the structures based on bond angles and bond distances. Full Article text
tab N-representable one-electron reduced density matrix reconstruction with frozen core electrons By journals.iucr.org Published On :: 2024-03-21 Recent advances in quantum crystallography have shown that, beyond conventional charge density refinement, a one-electron reduced density matrix (1-RDM) satisfying N-representability conditions can be reconstructed using jointly experimental X-ray structure factors and directional Compton profiles (DCP) through semidefinite programming. So far, such reconstruction methods for 1-RDM, not constrained to idempotency, have been tested only on a toy model system (CO2). In this work, a new method is assessed on crystalline urea [CO(NH2)2] using static (0 K) and dynamic (50 K) artificial experimental data. An improved model, including symmetry constraints and frozen core-electron contribution, is introduced to better handle the increasing system complexity. Reconstructed 1-RDMs, deformation densities and DCP anisotropy are analysed, and it is demonstrated that the changes in the model significantly improve the reconstruction quality, even when there is insufficient information and data corruption. The robustness of the model and the strategy are thus shown to be well adapted to address the reconstruction problem from actual experimental scattering data. Full Article text
tab Real-time analysis of liquid-jet sample-delivery stability for an X-ray free-electron laser using machine vision By journals.iucr.org Published On :: This paper describes real-time statistical analysis of liquid jet images for SFX experiments at the European XFEL. This analysis forms one part of the automated jet re-alignment system for SFX experiments at the SPB/SFX instrument of European XFEL. Full Article text
tab Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13 By journals.iucr.org Published On :: The crystal structure of a metabolite of the insecticide/acaricide etoxazole, designated R13 is presented along with a Hirshfeld surface analysis of intermolecular interactions present in the crystal structure. Full Article text
tab Stability of inorganic ionic structures: the uniformity approach By journals.iucr.org Published On :: 2024-10-14 The crystal structure uniformity is numerically estimated as the standard deviation of the crystal space quantizer 〈G3〉. This criterion has been applied to explore the uniformity of ionic sublattices in 21465 crystal structures of inorganic ionic compounds. In most cases, at least one kind of sublattice (whole ionic lattice, cationic or anionic sublattice) was found to be highly uniform with a small 〈G3〉 value. Non-uniform structures appeared to be either erroneous or essentially non-ionic. As a result, a set of uniformity criteria is proposed for the estimation of the stability of ionic crystal structures. Full Article text
tab Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13 By journals.iucr.org Published On :: 2024-11-08 The etoxazole metabolite R13, systematic name 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole (C21H21F2NO2), results from the oxidation of etoxazole, a chitin synthesis inhibitor belonging to the oxazoline class, widely used as an insecticide/acaricide since 1998. The structure of R13 features a central oxazole ring with attached 2,6-difluorophenyl and 4-t-butyl-2-ethoxyphenyl moieties. The overall conformation gives dihedral angles between these rings and the oxazole of 24.91 (5)° (with difluorophenyl) and 15.30 (6)° (with t-butyl-ethoxyphenyl), indicating an overall deviation from planarity. Additionally, torsion angles of the ethoxy and t-butyl groups define the orientation of these substituents relative to their benzene ring. In the crystal packing, no significant hydrogen bonds are present, but a Hirshfeld surface analysis highlights weak intermolecular contacts leading to π–π-stacked dimers linked by weak C—H...N contacts. The packing analysis confirms that most intermolecular interactions involve hydrogen atoms. Full Article text
tab Grazing-incidence synchrotron radiation diffraction studies on irradiated Ce-doped and pristine Y-stabilized ZrO2 at the Rossendorf beamline By journals.iucr.org Published On :: 2024-02-16 In this work, Ce-doped yttria-stabilized zirconia (YSZ) and pure YSZ phases were subjected to irradiation with 14 MeV Au ions. Irradiation studies were performed to simulate long-term structural and microstructural damage due to self-irradiation in YSZ phases hosting alpha-active radioactive species. It was found that both the Ce-doped YSZ and the YSZ phases had a reasonable tolerance to irradiation at high ion fluences and the bulk crystallinity was well preserved. Nevertheless, local microstrain increased in all compounds under study after irradiation, with the Ce-doped phases being less affected than pure YSZ. Doping with cerium ions increased the microstructural stability of YSZ phases through a possible reduction in the mobility of oxygen atoms, which limits the formation of structural defects. Doping of YSZ with tetravalent actinide elements is expected to have a similar effect. Thus, YSZ phases are promising for the safe long-term storage of radioactive elements. Using synchrotron radiation diffraction, measurements of the thin irradiated layers of the Ce-YSZ and YSZ samples were performed in grazing incidence (GI) mode. A corresponding module for measurements in GI mode was developed at the Rossendorf Beamline and relevant technical details for sample alignment and data collection are also presented. Full Article text
tab Development of a portable and cost-effective femtosecond fibre laser synchronizable with synchrotron X-ray pulses By journals.iucr.org Published On :: 2024-06-20 This study introduces a compact, portable femtosecond fibre laser system designed for synchronization with SPring-8 synchrotron X-ray pulses in a uniform filling mode. Unlike traditional titanium–sapphire mode-locked lasers, which are fixed installations, our system utilizes fibre laser technology to provide a practical alternative for time-resolved spectroscopy, striking a balance between usability, portability and cost-efficiency. Comprehensive evaluations, including pulse characterization, timing jitter and frequency stability tests revealed a centre wavelength of 1600 nm, a pulse energy of 4.5 nJ, a pulse duration of 35 fs with a timing jitter of less than 9 ps, confirming the suitability of the system for time-resolved spectroscopic studies. This development enhances the feasibility of experiments that combine synchrotron X-rays and laser pulses, offering significant scientific contributions by enabling more flexible and diverse research applications. Full Article text
tab Vibrational stability improvement of a mirror system using active mass damping By journals.iucr.org Published On :: 2024-08-08 Addressing the demand for high stability of beamline instruments at the SHINE facility, a high stability mirror regulating mechanism has been developed for mirror adjustments. Active mass damping was adopted to attenuate pitch angle vibrations of mirrors caused by structural vibrations. An internal absolute velocity feedback was used to reduce the negative impact of spillover effects and to improve performance. The experiment was conducted on a prototype structure of a mirror regulating mechanism, and results showed that the vibration RMS of the pitch angle was effectively attenuated from 47 nrad to 27 nrad above 1 Hz. Full Article text
tab RefXAS: an open access database of X-ray absorption spectra By journals.iucr.org Published On :: 2024-08-27 Under DAPHNE4NFDI, the X-ray absorption spectroscopy (XAS) reference database, RefXAS, has been set up. For this purpose, we developed a method to enable users to submit a raw dataset, with its associated metadata, via a dedicated website for inclusion in the database. Implementation of the database includes an upload of metadata to the scientific catalogue and an upload of files via object storage, with automated query capabilities through a web server and visualization of the data and files. Based on the mode of measurements, quality criteria have been formulated for the automated check of any uploaded data. In the present work, the significant metadata fields for reusability, as well as reproducibility of results (FAIR data principles), are discussed. Quality criteria for the data uploaded to the database have been formulated and assessed. Moreover, the usability and interoperability of available XAS data/file formats have been explored. The first version of the RefXAS database prototype is presented, which features a human verification procedure, currently being tested with a new user interface designed specifically for curators; a user-friendly landing page; a full list of datasets; advanced search capabilities; a streamlined upload process; and, finally, a server-side automatic authentication and (meta-) data storage via MongoDB, PostgreSQL and (data-) files via relevant APIs. Full Article text
tab A database overview of metal-coordination distances in metalloproteins By journals.iucr.org Published On :: 2024-04-29 Metalloproteins are ubiquitous in all living organisms and take part in a very wide range of biological processes. For this reason, their experimental characterization is crucial to obtain improved knowledge of their structure and biological functions. The three-dimensional structure represents highly relevant information since it provides insight into the interaction between the metal ion(s) and the protein fold. Such interactions determine the chemical reactivity of the bound metal. The available PDB structures can contain errors due to experimental factors such as poor resolution and radiation damage. A lack of use of distance restraints during the refinement and validation process also impacts the structure quality. Here, the aim was to obtain a thorough overview of the distribution of the distances between metal ions and their donor atoms through the statistical analysis of a data set based on more than 115 000 metal-binding sites in proteins. This analysis not only produced reference data that can be used by experimentalists to support the structure-determination process, for example as refinement restraints, but also resulted in an improved insight into how protein coordination occurs for different metals and the nature of their binding interactions. In particular, the features of carboxylate coordination were inspected, which is the only type of interaction that is commonly present for nearly all metals. Full Article text
tab Structure and stability of an apo thermophilic esterase that hydrolyzes polyhydroxybutyrate By journals.iucr.org Published On :: 2024-10-23 Pollution from plastics is a global problem that threatens the biosphere for a host of reasons, including the time scale that it takes for most plastics to degrade. Biodegradation is an ideal solution for remediating bioplastic waste as it does not require the high temperatures necessary for thermal degradation and does not introduce additional pollutants into the environment. Numerous organisms can scavenge for bioplastics, such as polylactic acid (PLA) or poly-(R)-hydroxybutyrate (PHB), which they can use as an energy source. Recently, a promiscuous PHBase from the thermophilic soil bacterium Lihuaxuella thermophila (LtPHBase) was identified. LtPHBase can accommodate many substrates, including PHB granules and films and PHB block copolymers, as well as the unrelated polymers polylactic acid (PLA) and polycaprolactone (PCL). LtPHBase uses the expected Ser–His–Asp catalytic triad for hydrolysis at an optimal enzyme activity near 70°C. Here, the 1.75 Å resolution crystal structure of apo LtPHBase is presented and its chemical stability is profiled. Knowledge of its substrate preferences was extended to different-sized PHB granules. It is shown that LtPHBase is highly resistant to unfolding, with barriers typical for thermophilic enzymes, and shows a preference for low-molecular-mass PHB granules. These insights have implications for the long-term potential of LtPHBase as an industrial PHB hydrolase and shed light on the evolutionary role that this enzyme plays in bacterial metabolism. Full Article text
tab The interoperability of crystallographic data and databases By journals.iucr.org Published On :: 2024-01-01 Interoperability of crystallographic data with other disciplines is essential for the smooth and rapid progress of structure-based science in the computer age. Within crystallography and closely related subject areas, there is already a high level of conformance to the generally accepted FAIR principles (that data be findable, accessible, interoperable and reusable) through the adoption of common information exchange protocols by databases, publishers, instrument vendors, experimental facilities and software authors. Driven by the success within these domains, the IUCr has worked closely with CODATA (the Committee on Data of the International Science Council) to help develop the latter's commitment to cross-domain integration of discipline-specific data. The IUCr has, in particular, emphasized the need for standards relating to data quality and completeness as an adjunct to the FAIR data landscape. This can ensure definitive reusable data, which in turn can aid interoperability across domains. A microsymposium at the IUCr 2023 Congress provided an up-to-date survey of data interoperability within and outside of crystallography, expounded using a broad range of examples. Full Article text
tab Ab initio crystal structures and relative phase stabilities for the aleksite series, PbnBi4Te4Sn+2 By journals.iucr.org Published On :: 2023-11-01 Density functional theory methods are applied to crystal structures and stabilities of phases from the aleksite homologous series, PbnBi4Te4Sn+2 (n = homologue number). The seven phases investigated correspond to n = 0 (tetradymite), 2 (aleksite-21R and -42R), 4 (saddlebackite-9H and -18H), 6 (unnamed Pb6Bi4Te4S8), 8 (unnamed Pb8Bi4Te4S10), 10 (hitachiite) and 12 (unnamed Pb12Bi4Te4S14). These seven phases correspond to nine single- or double-module structures, each comprising an odd number of atom layers, 5, 7, (5.9), 9, (7.11), 11, 13, 15 and 17, expressed by the formula: S(MpXp+1)·L(Mp+1Xp+2), where M = Pb, Bi and X = Te, S, p ≥ 2, and S and L = number of short and long modules, respectively. Relaxed structures show a and c values within 1.5% of experimental data; a and the interlayer distance dsub decrease with increasing PbS content. Variable Pb—S bond lengths contrast with constant Pb—S bond lengths in galena. All phases are n-fold superstructures of a rhombohedral subcell with c/3 = dsub*. Electron diffraction patterns show two brightest reflections at the centre of dsub*, described by the modulation vector qF = (i/N) · dsub*, i = S + L. A second modulation vector, q = γ · csub*, shows a decrease in γ, from 1.8 to 1.588, across the n = 0 to n = 12 interval. The linear relationship between γ and dsub allows the prediction of any theoretical phases beyond the studied compositional range. The upper PbS-rich limit of the series is postulated as n = 398 (Pb398Bi4Te4S400), a phase with dsub (1.726 Å) identical to that of trigonal PbS within experimental error. The aleksite series is a prime example of mixed layer compounds built with accretional homology principles. Full Article text
tab Importance of powder diffraction raw data archival in a curated database for materials science applications By journals.iucr.org Published On :: 2024-08-26 In recent years, there is a significant interest from the crystallographic and materials science communities to have access to raw diffraction data. The effort in archiving raw data for access by the user community is spearheaded by the International Union of Crystallography (IUCr) Committee on Data. In materials science, where powder diffraction is extensively used, the challenge in archiving raw data is different to that from single crystal data, owing to the very nature of the contributions involved. Powder diffraction (X-ray or neutron) data consist of contributions from the material under study as well as instrument specific parameters. Having raw powder diffraction data can be essential in cases of analysing materials with poor crystallinity, disorder, micro structure (size/strain) etc. Here, the initiative and progress made by the International Centre for Diffraction Data (ICDDR) in archiving powder X-ray diffraction raw data in the Powder Diffraction FileTM (PDFR) database is outlined. The upcoming 2025 release of the PDF-5+ database will have more than 20 800 raw powder diffraction patterns that are available for reference. Full Article text
tab K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates By journals.iucr.org Published On :: 2024-08-30 Synthesis experiments were conducted in the quaternary system K2O–Na2O–CaO–SiO2, resulting in the formation of a previously unknown compound with the composition K0.72Na1.71Ca5.79Si6O19. Single crystals of sufficient size and quality were recovered from a starting mixture with a K2O:Na2O:CaO:SiO2 molar ratio of 1.5:0.5:2:3. The mixture was confined in a closed platinum tube and slowly cooled from 1150°C at a rate of 0.1°C min−1 to 700°C before being finally quenched in air. The structure has tetragonal symmetry and belongs to space group P4122 (No. 91), with a = 7.3659 (2), c = 32.2318 (18) Å, V = 1748.78 (12) Å3, and Z = 4. The silicate anion consists of highly puckered, unbranched six-membered oligomers with the composition [Si6O19] and point group symmetry 2 (C2). Although several thousands of natural and synthetic oxosilicates have been structurally characterized, this compound is the first representative of a catena-hexasilicate anion, to the best of our knowledge. Structural investigations were completed using Raman spectroscopy. The spectroscopic data was interpreted and the bands were assigned to certain vibrational species with the support of density functional theory at the HSEsol level of theory. To determine the stability properties of the novel oligosilicate compared to those of the chemically and structurally similar cyclosilicate combeite, we calculated the electronegativity of the respective structures using the electronegativity equalization method. The results showed that the molecular electronegativity of the cyclosilicate was significantly higher than that of the oligostructure due to the different connectivities of the oxygen atoms within the molecular units. Full Article text
tab Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD) By journals.iucr.org Published On :: 2024-09-17 An exhaustive search for missing symmetry was performed for 223 076 entries in the ICSD (2023-2 release). Approximately 0.65% of them can be described with higher symmetry than reported. Out of the identified noncentrosymmetric entries, ∼74% can be described by centrosymmetric space groups; this has implications for compatible physical properties. It is proposed that the information on the correct space group is included in the ICSD. Full Article text
tab Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O)potassium-μ-oxalato-triphenylstannate(IV), the first reported 18-crown-6-stabilized potassium salt of triphenyloxalatostannate By journals.iucr.org Published On :: 2024-08-13 The title complex, (1,4,7,10,13,16-hexaoxacyclooctadecane-1κ6O)(μ-oxalato-1κ2O1,O2:2κ2O1',O2')triphenyl-2κ3C-potassium(I)tin(IV), [KSn(C6H5)3(C2O4)(C12H24O6)] or K[18-Crown-6][(C6H5)3SnO4C2], was synthesized. The complex consists of a potassium cation coordinated to the six oxygen atoms of a crown ether molecule and the two oxygen atoms of the oxalatotriphenylstannate anion. It crystallizes in the monoclinic crystal system within the space group P21. The tin atom is coordinated by one chelating oxalate ligand and three phenyl groups, forming a cis-trigonal–bipyramidal geometry around the tin atom. The cations and anions form ion pairs, linked through carbonyl coordination to the potassium atoms. The crystal structure features C—H⋯O hydrogen bonds between the oxygen atoms of the oxalate group and the hydrogen atoms of the phenyl groups, resulting in an infinite chain structure extending along a-axis direction. The primary inter-chain interactions are van der Waals forces. Full Article text
tab The International Tables Symmetry Database By journals.iucr.org Published On :: 2023-11-29 The International Tables Symmetry Database (https://symmdb.iucr.org/), which is part of International Tables for Crystallography, is a collection of individual databases of crystallographic space-group and point-group information with associated programs. The programs let the user access and in some cases interactively visualize the data, and some also allow new data to be calculated `on the fly'. Together these databases and programs expand upon and complement the symmetry information provided in International Tables for Crystallography Volume A, Space-Group Symmetry, and Volume A1, Symmetry Relations between Space Groups. The Symmetry Database allows users to learn about and explore the space and point groups, and facilitates the study of group–subgroup relations between space groups, with applications in determining crystal-structure relationships, in studying phase transitions and in domain-structure analysis. The use of the International Tables Symmetry Database in all these areas is demonstrated using several examples. Full Article text
tab Synthesis and in-depth structure determination of a novel metastable high-pressure CrTe3 phase By journals.iucr.org Published On :: 2024-05-24 This study reports the synthesis and crystal structure determination of a novel CrTe3 phase using various experimental and theoretical methods. The average stoichiometry and local phase separation of this quenched high-pressure phase were characterized by ex situ synchrotron powder X-ray diffraction and total scattering. Several structural models were obtained using simulated annealing, but all suffered from an imperfect Rietveld refinement, especially at higher diffraction angles. Finally, a novel stoichiometrically correct crystal structure model was proposed on the basis of electron diffraction data and refined against powder diffraction data using the Rietveld method. Scanning electron microscopy–energy-dispersive X-ray spectrometry (EDX) measurements verified the targeted 1:3 (Cr:Te) average stoichiometry for the starting compound and for the quenched high-pressure phase within experimental errors. Scanning transmission electron microscopy (STEM)–EDX was used to examine minute variations of the Cr-to-Te ratio at the nanoscale. Precession electron diffraction (PED) experiments were applied for the nanoscale structure analysis of the quenched high-pressure phase. The proposed monoclinic model from PED experiments provided an improved fit to the X-ray patterns, especially after introducing atomic anisotropic displacement parameters and partial occupancy of Cr atoms. Atomic resolution STEM and simulations were conducted to identify variations in the Cr-atom site-occupancy factor. No significant variations were observed experimentally for several zone axes. The magnetic properties of the novel CrTe3 phase were investigated through temperature- and field-dependent magnetization measurements. In order to understand these properties, auxiliary theoretical investigations have been performed by first-principles electronic structure calculations and Monte Carlo simulations. The obtained results allow the observed magnetization behavior to be interpreted as the consequence of competition between the applied magnetic field and the Cr–Cr exchange interactions, leading to a decrease of the magnetization towards T = 0 K typical for antiferromagnetic systems, as well as a field-induced enhanced magnetization around the critical temperature due to the high magnetic susceptibility in this region. Full Article text
tab Subgradient-projection-based stable phase-retrieval algorithm for X-ray ptychography By journals.iucr.org Published On :: 2024-07-04 X-ray ptychography is a lensless imaging technique that visualizes the nanostructure of a thick specimen which cannot be observed with an electron microscope. It reconstructs a complex-valued refractive index of the specimen from observed diffraction patterns. This reconstruction problem is called phase retrieval (PR). For further improvement in the imaging capability, including expansion of the depth of field, various PR algorithms have been proposed. Since a high-quality PR method is built upon a base PR algorithm such as ePIE, developing a well performing base PR algorithm is important. This paper proposes an improved iterative algorithm named CRISP. It exploits subgradient projection which allows adaptive step size and can be expected to avoid yielding a poor image. The proposed algorithm was compared with ePIE, which is a simple and fast-convergence algorithm, and its modified algorithm, rPIE. The experiments confirmed that the proposed method improved the reconstruction performance for both simulation and real data. Full Article text
tab Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server By journals.iucr.org Published On :: 2024-09-17 This article presents a web-based framework to build a database without in-depth programming knowledge given a set of CIF dictionaries and a collection of CIFs. The framework consists of two main elements: the public site that displays the information contained in the CIFs in an ordered manner, and the restricted administrative site which defines how that information is stored, processed and, eventually, displayed. Thus, the web application allows users to easily explore, filter and access the data, download the original CIFs, and visualize the structures via JSmol. The modulated structures open database B-IncStrDB, the official International Union of Crystallography repository for this type of material and available through the Bilbao Crystallographic Server, has been re-implemented following the proposed framework. Full Article text
tab In situ/operando method for energy stability measurement of synchrotron radiation By journals.iucr.org Published On :: 2024-10-15 A novel in situ/operando method is introduced to measure the photon beam stability of synchrotron radiation based on orthogonal diffraction imaging of a Laue crystal/analyzer, which can decouple the energy/wavelength and Bragg angle of the photon beam using the dispersion effect in the diffraction process. The method was used to measure the energy jitter and drift of the photon beam on BL09B and BL16U at the Shanghai Synchrotron Radiation Facility. The experimental results show that this method can provide a fast way to measure the beam stability of different light sources including bending magnet and undulator with meV-level energy resolution and ms-level time response. Full Article text
tab Green upgrading of SPring-8 to produce stable, ultrabrilliant hard X-ray beams By journals.iucr.org Published On :: 2024-10-24 SPring-8-II is a major upgrade project of SPring-8 that was inaugurated in October 1997 as a third-generation synchrotron radiation light source. This upgrade project aims to achieve three goals simultaneously: achievement of excellent light source performance, refurbishment of aged systems, and significant reduction in power consumption for the entire facility. A small emittance of 50 pm rad will be achieved by (1) replacing the existing double-bend lattice structure with a five-bend achromat one, (2) lowering the stored beam energy from 8 to 6 GeV, (3) increasing the horizontal damping partition number from 1 to 1.3, and (4) enhancing horizontal radiation damping by installing damping wigglers in long straight sections. The use of short-period in-vacuum undulators allows ultrabrilliant X-rays to be provided while keeping a high-energy spectral range even at the reduced electron-beam energy of 6 GeV. To reduce power consumption, the dedicated, aged injector system has been shut down and the high-performance linear accelerator of SACLA, a compact X-ray free-electron laser (XFEL) facility, is used as the injector of the ring in a time-shared manner. This allows the simultaneous operation of XFEL experiments at SACLA and full/top-up injection of the electron beam into the ring. This paper overviews the concept of the SPring-8-II project, the system design of the light source and the details of the accelerator component design. Full Article text
tab Equitable technology reach: The India success story By cio.economictimes.indiatimes.com Published On :: Fri, 23 Jun 2023 11:31:20 +0530 Through a series of ambitious initiatives and strategic investments, India is actively working to overcome barriers and create a level playing field for technology adoption. From expanding connectivity infrastructure to investing in digital literacy programs, the nation is leaving no stone unturned in its pursuit of equitable access to technology. Full Article
tab Fruits and Vegetables Yield Less Vitamin A Than Previously Thought - Upper Limit Set for Daily Intake of Vitamin A and Nine Other Nutrients By Published On :: Tue, 09 Jan 2001 06:00:00 GMT Darkly colored, carotene-rich fruits and vegetables -- such as carrots, sweet potatoes, and broccoli -- provide the body with half as much vitamin A as previously thought. Full Article
tab Science Alone Does Not Establish Source of Anthrax Used in 2001 Mailings By Published On :: Tue, 15 Feb 2011 06:00:00 GMT A National Research Council committee asked to examine the scientific approaches used and conclusions reached by the Federal Bureau of Investigation during its investigation of the 2001 Bacillus anthracis mailings has determined that it is not possible to reach a definitive conclusion about the origins of the anthrax in letters mailed to New York City and Washington, D.C., based solely on the available scientific evidence. Full Article
tab New Report Calls for Eliminating Correctable and Avoidable Vision Impairments by 2030 By Published On :: Thu, 15 Sep 2016 05:00:00 GMT Despite the importance of eyesight, millions of people grapple with undiagnosed or untreated vision impairments — ranging from mild conditions to total blindness — and eye and vision health remain relatively absent from national health priority lists, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
tab With Stringent Oversight, Heritable Human Genome Editing Could Be Allowed for Serious Conditions By Published On :: Tue, 14 Feb 2017 06:00:00 GMT Clinical trials for genome editing of the human germline – adding, removing, or replacing DNA base pairs in gametes or early embryos – could be permitted in the future, but only for serious conditions under stringent oversight, says a new report from the National Academy of Sciences and the National Academy of Medicine. Full Article
tab New Report Assesses Coast Guard’s Vessel Stability Safety Regulations By Published On :: Wed, 12 Sep 2018 05:00:00 GMT The U.S. Coast Guard has safety regulatory oversight pertaining to vessel stability with standards that should respond to and improve with technological advances. Full Article
tab Statement on Call for Moratorium on and International Governance Framework for Clinical Uses of Heritable Genome Editing By Published On :: Wed, 13 Mar 2019 05:00:00 GMT A commentary published in Nature calls for a moratorium on clinical uses of heritable human genome editing and the establishment of an international governance framework. Full Article
tab National Academies Host Roundtable on Promoting and Protecting American R&D By Published On :: Mon, 13 May 2019 04:00:00 GMT On May 10, the National Academies of Sciences, Engineering, and Medicine hosted a roundtable with senior representatives of academia, industry, and the federal government to exchange ideas about how to maximize the benefits of international science and technology collaboration while strengthening U.S. economic and national security. Full Article
tab New International Commission Launched on Clinical Use of Heritable Human Genome Editing By Published On :: Wed, 22 May 2019 04:00:00 GMT An international commission has been convened by the U.S. National Academy of Medicine, the U.S. National Academy of Sciences, and the Royal Society of the U.K., with the participation of science and medical academies around the world, to develop a framework for scientists, clinicians, and regulatory authorities to consider when assessing potential clinical applications of human germline genome editing. Full Article
tab Global Grand Challenges Summit 2019 Will Bring Over 900 Engineers to London to Address Engineering in an Unpredictable World By Published On :: Tue, 23 Jul 2019 04:00:00 GMT International thought leaders will join the next generation of engineers in London from Sept. 16 to 18 for the Global Grand Challenges Summit 2019. The summit aims to help inspire and equip future engineering leaders to address the rapidly evolving challenges of an unpredictable world. Full Article
tab International Commission on Heritable Genome Editing Holds First Public Meeting By Published On :: Tue, 20 Aug 2019 04:00:00 GMT Last week, the International Commission on the Clinical Use of Human Germline Genome Editing held its first public meeting at the National Academy of Sciences building in Washington, D.C. Full Article
tab International Commission on Clinical Use of Heritable Human Genome Editing Issues Call for Evidence By Published On :: Tue, 27 Aug 2019 04:00:00 GMT The International Commission on the Clinical Use of Human Germline Genome Editing is tasked with identifying the scientific, medical, and ethical requirements to consider when assessing potential clinical applications of human germline genome editing — if society concludes that heritable human genome editing applications are acceptable. Full Article