rf Why RFID is the future: Working more efficiently with DENSO By www.retailtechnologyreview.com Published On :: Radio Frequency Identification (RFID) provides new and profitable opportunities for increasing organisational, financial and operational performance. For instance, the retail and logistics industries can benefit from the superior RFID technology. DENSO explains why. Full Article RFID Data Capture Critical Issues
rf Checkpoint unveils new RFreshID solution for improved inventory accuracy and reduced waste By www.retailtechnologyreview.com Published On :: Despite increasing concerns surrounding food waste, more than 89 million tonnes of food are thrown away every year in Europe. The grocery retail sector contributes some 5% to the total amount, often due to expired fresh produce, equating to more than 4.45 million tonnes. Full Article RFID Data Capture
rf Scanning performance further improved: DENSO launches new SP1 Autopilot function By www.retailtechnologyreview.com Published On :: RFID technology does not just exist since yesterday, but especially now, it has a major impact on the profits and losses of companies, for example in retail and logistics. RFID tags that are attached to goods can be read with mobile computers in such a way that real-time results for transactions, stock levels or the order history of customers are displayed. Full Article RFID Data Capture
rf Benefits of RFID in retail: Improved inventory management and happier customers By www.retailtechnologyreview.com Published On :: The use of RFID offers a whole range of advantages, two of which clearly stand out: precision and speed. DENSO explains what this means for the retail sector. Full Article RFID Data Capture
rf Market-leading discount supermarket selects inotec to supply 40 million RFID identification cards By www.retailtechnologyreview.com Published On :: The premium quality barcode and RFID solutions provider inotec is currently producing 40 million RFID identification cards for a market-leading international discount supermarket chain. The exceptionally large RFID card order was placed after the discount supermarket’s strategic decision to install new crate track and trace systems. Full Article RFID Print & Label Retail Supply Chain
rf RAIN RFID tag IC 2021 sales volume rockets up 36% By www.retailtechnologyreview.com Published On :: RAIN Radio Frequency Identification (RFID) tag integrated circuits’ (IC) worldwide sales volume for the second year in a row smashed industry forecasts increasing 36% over the last year helping to nudge lifetime sales past the 100 billion tag IC sold barrier. This is the seventh year in a row of sales growth for RAIN RFID tag IC sales according to the RAIN Alliance, an industry technology group. Full Article RFID Data Capture
rf How RFID technology for inventory management can also be leveraged for employee access control By www.retailtechnologyreview.com Published On :: By David Burns, freelance writer.Radio frequency identification (RFID) is an identification system that works through radio frequencies that can track and identify authorised entry tools such as fobs and key cards. Not only is RFID a significant security measure, but it also provides your team with a reliable and efficient method of access. Full Article RFID Surveillance and Security Data Capture
rf SATO Europe launches RAIN RFID asset management solution ASETRA to boost operational efficiency By www.retailtechnologyreview.com Published On :: SATO has launched its RAIN RFID1-based asset management solution ASETRA in Europe. The easy to deploy system comprising RFID tags, RFID printers and desktop reader/writers accurately and easily tracks and manages assets through the supply chain. Full Article RFID Data Capture Print & Label
rf Exploring The Distinctions, Applications, And Development of RFID And NFC Systems By www.retailtechnologyreview.com Published On :: By Alastair Bright, freelance writer.Radio Frequency Identification (RFID) and Near Field Communication (NFC) are two wireless communication technologies that enable data exchange through radio waves. While NFC is primarily used in contactless payments, RFID is widely utilized for asset and location tracking. Both technologies, however, also have versatile applications beyond their primary uses. Full Article RFID Data Capture Retail Supply Chain
rf Riverside’s RFID and AI technology developed to accelerate growth in greeting cards category performance By www.retailtechnologyreview.com Published On :: Riverside Greetings, the supplier of greeting card solutions, has developed RFID (Radio Frequency Identification) and AI (Artificial Intelligence) technology which is claimed to dramatically accelerate category growth in the convenience and forecourt sector. Full Article RFID Data Capture
rf RAIN Alliance reports 32% Increase in global RAIN RFID chip shipments as adoption and usage diversifies across multiple industries By www.retailtechnologyreview.com Published On :: RAIN Alliance, the non-profit industry organisation supporting the development and adoption of Ultra High Frequency (UHF) Radio Frequency Identification (RFID), has announced that 44.8bn RAIN RFID tag chips were shipped globally in 2023.This figure represents year-on-year growth of 32%, and reflects increasing demand across a variety of industries.... Full Article RFID Data Capture Critical Issues
rf RAIN RFID tag chip shipments forecast to reach 115bn units by 2028, a year-on-year growth of 20.4% By www.retailtechnologyreview.com Published On :: RAIN Alliance, the non-profit industry organisation supporting the development and adoption of Ultra High Frequency (UHF) Radio Frequency Identification (RFID), has published its bi-annual research report ‘Global Markets & Applications for RAIN RFID Solutions’, produced by VDC Research. Full Article RFID Data Capture Critical Issues
rf Advantages of RFID: The future of retail is digital By www.retailtechnologyreview.com Published On :: According to Forbes, the global smart retail market size is expected to grow at a CAGR of 29.1% by 2030. DENSO accompanies retailers into the future with RFID. Full Article RFID Data Capture
rf Compact high-performance embedded computer for kiosk and robotics applications By www.retailtechnologyreview.com Published On :: Advantech, provider of AIoT platforms and services, has launched ARK-3533, a compact fanless edge computer tailored for kiosk and robotics applications. Full Article Kiosk Technology
rf Russia annihilates airfields for F-16 fighters and underground command bunkers By english.pravda.ru Published On :: Wed, 29 May 2024 20:21:00 +0300 Russia continues to annihilate bases in Ukraine that could be suitable for using F-16 fighter jets. On May 29, the Russian forces struck the Yavoriv training ground in Lviv Region yet again. Kinzhal missiles hit Yavoriv firing range According to the Ukrainian authorities, F-16 fighter jets, technical personnel and pilots arrived in Ukraine after Easter. On Sunday, the Russian Air Force launched Kh-47M2 Kinzhal hypersonic missiles to strike several airfields in Ukraine, including the Starokonstantinov airfield and the Yavoriv training ground. The latter sits 30 kilometres northwest of Lviv and 20 kilometres from the Polish border. Full Article Incidents
rf How retail can reap the rewards of RAIN RFID By www.retailtechnologyreview.com Published On :: By Aileen Ryan, President, RAIN Alliance.As costs spiral across the retail sector, maintaining profitability is a growing challenge. Organisations are increasingly seeking practical, affordable solutions that enable them to drive operational efficiencies and reduce overhead costs. Full Article RFID Data Capture Critical Issues
rf gStore by GreyOrange unveils SoftFence - Next-generation virtual shielding for RFID-driven retail operations By www.retailtechnologyreview.com Published On :: GreyOrange Inc. has introduced SoftFence, a virtual shielding technology from its retail software as a service (SaaS) platform, gStore. Full Article RFID Data Capture Retail Supply Chain Cloud Computing
rf Idina Menzel to Celebrate the Debut of the Bronx Zoo at the 98th Macy's Thanksgiving Day Parade(r) with a Special Performance From Her New Broadway Musical "Redwood" By www.newswise.com Published On :: Tue, 12 Nov 2024 08:40:41 EST Today, the Bronx Zoo announced that Idina Menzel, Tony Award-winner, actress, philanthropist and multi-platinum-selling singer/songwriter, will perform in the 98th Macy's Thanksgiving Day Parade(r) on the zoo's new "Wondrous World of Wildlife" float. Full Article
rf ESG as a Nonmarket Strategy to Cope with Geopolitical Tension: Empirical Evidence From Multinationals' ESG Performance By www.newswise.com Published On :: Fri, 01 Nov 2024 06:45:58 EST Full Article
rf Ateez Adds Performances to World Tour By world.kbs.co.kr Published On :: 2024-10-22 +09:00 Ateez will add two more performances to its world tour. The group will expand the European leg of its “Towards the Light: Will to Power” tour to 14 concerts, adding performances in...[more...] Full Article Economy&It
rf Is Taurus and Virgo Compatibility a Perfect Match? Exploring Their Bond By entertainment.howstuffworks.com Published On :: Sun, 10 Nov 2024 05:00:04 -0500 Discover Taurus and Virgo compatibility in love, relationships, and friendship. Explore how these earth signs align in values, trust, and practical connections. Full Article
rf New community launched to support effective management of the subsurface - British Geological Survey By news.google.com Published On :: Thu, 03 Oct 2024 13:27:24 GMT New community launched to support effective management of the subsurface British Geological Survey Full Article
rf Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates By journals.iucr.org Published On :: 1,2-Bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene formed its own spherulites by sublimation onto the hydrophilic surfaces of the (0001) planes of α-quartz and sapphire substrates. The formation of different morphologies of these spherulites was attributed to the surface properties of each substrate. Depending on the morphology of the spherulites, hollow rod crystals with cross sections of different sizes and shapes and branching structures were generated on the surfaces of the spherulites. Full Article text
rf Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates By journals.iucr.org Published On :: 2024-10-31 Sublimation methods utilizing the surface properties of substrates can address the challenge of controlling hollow morphologies in rod crystals. Spherulites were formed on the hydrophilic surface of the (0001) planes of α-quartz and sapphire substrates by sublimation of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene (1a). Various types of hollow morphologies, distinguished by the size and shape of their cross sections and by the presence or absence of branching structures, were formed separately on α-quartz and sapphire substrates. Such precise control of the hollow morphologies was attributed to the wettability of each substrate, leading to the formation of spherulites of 1a. In addition, it was indicated that the formation process of the surface morphologies of spherulites was associated with the hollow morphologies of rod crystals of 1a. Full Article text
rf ClusterFinder: a fast tool to find cluster structures from pair distribution function data By journals.iucr.org Published On :: 2024-02-29 A novel automated high-throughput screening approach, ClusterFinder, is reported for finding candidate structures for atomic pair distribution function (PDF) structural refinements. Finding starting models for PDF refinements is notoriously difficult when the PDF originates from nanoclusters or small nanoparticles. The reported ClusterFinder algorithm can screen 104 to 105 candidate structures from structural databases such as the Inorganic Crystal Structure Database (ICSD) in minutes, using the crystal structures as templates in which it looks for atomic clusters that result in a PDF similar to the target measured PDF. The algorithm returns a rank-ordered list of clusters for further assessment by the user. The algorithm has performed well for simulated and measured PDFs of metal–oxido clusters such as Keggin clusters. This is therefore a powerful approach to finding structural cluster candidates in a modelling campaign for PDFs of nanoparticles and nanoclusters. Full Article text
rf Small-angle scattering and dark-field imaging for validation of a new neutron far-field interferometer By journals.iucr.org Published On :: A neutron far-field interferometer is under development at NIST with the aim of enabling a multi-scale measurement combining the best of small-angle neutron scattering (SANS) and neutron imaging and tomography. We use the close relationship between SANS, ultra-SANS, spin-echo SANS and dark-field imaging and measurements of monodisperse spheres as a validation metric, highlighting the strengths and weaknesses of each of these neutron techniques. Full Article text
rf Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI) By journals.iucr.org Published On :: In the complex, the ligand binds to the metal through an oxygen atom. The geometry of the seven-coordinate U atom is pentagonal bipyramidal, with the uranyl O atoms in apical positions. Full Article text
rf 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
rf Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies of ethyl 5-amino-2-bromoisonicotinate By journals.iucr.org Published On :: Theoretical and experimental structural studies of the title compound were undertaken using X-ray and DFT methods. The interactions present in the crystal were analyzed using Hirshfeld surface and MEP surface analysis. Docking studies with a covid-19 main protease (PDB ID: 6LU7) as the target receptor indicate that the synthesized compound may be a potential candidate for pharmaceutical applications. Full Article text
rf Crystal structure, Hirshfeld surface, DFT and molecular docking studies of 2-{4-[(E)-(4-acetylphenyl)diazenyl]phenyl}-1-(5-bromothiophen-2-yl)ethanone; a bromine⋯oxygen type contact By journals.iucr.org Published On :: The title compound is a non-liquid crystal molecule. The molecular crystal is consolidated by C—Br⋯O&z-dbnd;C type contacts running continuously along the [001] direction. Full Article text
rf Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide By journals.iucr.org Published On :: The molecular and crystal structure of N-(4-methoxyphenyl)picolinamide were studied and Hirshfeld surfaces and fingerprint plots were generated to investigate various intermolecular interactions. Full Article text
rf Small-angle scattering and dark-field imaging for validation of a new neutron far-field interferometer By journals.iucr.org Published On :: 2024-11-08 The continued advancement of complex materials often requires a deeper understanding of the structure–function relationship across many length scales, which quickly becomes an arduous task when multiple measurements are required to characterize hierarchical and inherently heterogeneous materials. Therefore, there are benefits in the simultaneous characterization of multiple length scales. At the National Institute of Standards and Technology, a new neutron far-field interferometer is under development that aims to enable a multi-scale measurement combining the best of small-angle neutron scattering (SANS) and neutron imaging and tomography. Spatially resolved structural information on the same length scales as SANS (0.001–1 µm) and ultra-small-angle neutron scattering (USANS, 0.1–10 µm) will be collected via dark-field imaging simultaneously with regular attenuation radiography (>10 µm). The dark field is analogous to the polarization loss measured in spin-echo SANS (SESANS) and is related to isotropic SANS through a Hankel transform. Therefore, we use this close relationship and analyze results from SANS, USANS, SESANS and dark-field imaging of monodisperse spheres as a validation metric for the interferometry measurements. The results also highlight the strengths and weaknesses of these neutron techniques for both steady-state and pulsed neutron sources. Finally, we present an example of the value added by the spatial resolution enabled by dark-field imaging in the study of more complex heterogeneous materials. This information would otherwise be lost in other small-angle scattering measurements averaged over the sample. Full Article text
rf Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies of ethyl 5-amino-2-bromoisonicotinate By journals.iucr.org Published On :: 2024-11-08 In the title compound, C8H9BrN2O2, the C—O—C—C torsion angle between isonicotine and the ethyl group is 180.0 (2)°. Intramolecular N—H...O and C—H...O interactions consolidate the molecular structure. In the crystal, N—H...N interaction form S(5) zigzag chains along [010]. The most significant contributions to the Hirshfeld surface arise from H...H (33.2%), Br...H/H...Br (20.9%), O...H/H...O (11.2%), C...H/H...C (11.1%) and N...H/H...N (10%) contacts. The topology of the three-dimensional energy frameworks was generated using the B3LYP/6–31 G(d,p) model to calculate the total interaction energy. The net interaction energies for the title compound are Eele = 59.2 kJ mol−1, Epol = 15.5 kJ mol−1, Edis = 140.3 kJ mol−1 and Erep = 107.2 kJ mol−1 with a total interaction energy Etot of 128.8 kJ mol−1. The molecular structure was optimized by density functional theory (DFT) at the B3LYP/6–311+G(d,p) level and the theoretical and experimentally obtained parameters were compared. The frontier molecular orbitals HOMO and LUMO were generated, giving an energy gap ΔE of 4.0931 eV. The MEP was generated to identify active sites in the molecule and molecular docking studies carried out with the title compound (ligand) and the covid-19 main protease PDB ID: 6LU7, revealing a moderate binding affinity of −5.4 kcal mol−1. Full Article text
rf 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
rf Performance of a photoelectron momentum microscope in direct- and momentum-space imaging with ultraviolet photon sources By journals.iucr.org Published On :: 2024-01-01 The Photoelectron-Related Image and Nano-Spectroscopy (PRINS) endstation located at the Taiwan Photon Source beamline 27A2 houses a photoelectron momentum microscope capable of performing direct-space imaging, momentum-space imaging and photoemission spectroscopy with position sensitivity. Here, the performance of this microscope is demonstrated using two in-house photon sources – an Hg lamp and He(I) radiation – on a standard checkerboard-patterned specimen and an Au(111) single crystal, respectively. By analyzing the intensity profile of the edge of the Au patterns, the Rashba-splitting of the Au(111) Shockley surface state at 300 K, and the photoelectron intensity across the Fermi edge at 80 K, the spatial, momentum and energy resolution were estimated to be 50 nm, 0.0172 Å−1 and 26 meV, respectively. Additionally, it is shown that the band structures acquired in either constant energy contour mode or momentum-resolved photoemission spectroscopy mode were in close agreement. Full Article text
rf Combination of XEOL, TR-XEOL and HB-T interferometer at the TPS 23A X-ray nanoprobe for exploring quantum materials By journals.iucr.org Published On :: 2024-01-19 In this study, a combination of X-ray excited optical luminescence (XEOL), time-resolved XEOL (TR-XEOL) and the Hanbury-Brown and Twiss (HB-T) interferometer at the Taiwan Photon Source (TPS) 23A X-ray nanoprobe beamline for exploring quantum materials is demonstrated. On the basis of the excellent spatial resolution rendered using a nano-focused beam, emission distributions of artificial micro-diamonds can be obtained by XEOL maps, and featured emission peaks of a selected local area can be obtained by XEOL spectra. The hybrid bunch mode of the TPS not only provides a sufficiently high peak power density for experiments at each beamline but also permits high-quality temporal domain (∼200 ns) measurements for investigating luminescence dynamics. From TR-XEOL measurements, the decay lifetime of micro-diamonds is determined to be approximately 16 ns. Furthermore, the XEOL spectra of artificial micro-diamonds can be investigated by the HB-T interferometer to identify properties of single-photon sources. The unprecedented strategy of combining XEOL, TR-XEOL and the HB-T interferometer at the X-ray nanoprobe beamline will open new avenues with significant characterization abilities for unraveling the emission mechanisms of single-photon sources for quantum materials. Full Article text
rf Finback: a web-based data collection system at SSRF biological macromolecular crystallography beamlines By journals.iucr.org Published On :: 2024-01-19 An integrated computer software system for macromolecular crystallography (MX) data collection at the BL02U1 and BL10U2 beamlines of the Shanghai Synchrotron Radiation Facility is described. The system, Finback, implements a set of features designed for the automated MX beamlines, and is marked with a user-friendly web-based graphical user interface (GUI) for interactive data collection. The Finback client GUI can run on modern browsers and has been developed using several modern web technologies including WebSocket, WebGL, WebWorker and WebAssembly. Finback supports multiple concurrent sessions, so on-site and remote users can access the beamline simultaneously. Finback also cooperates with the deployed experimental data and information management system, the relevant experimental parameters and results are automatically deposited to a database. Full Article text
rf 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
rf A differentiable simulation package for performing inference of synchrotron-radiation-based diagnostics By journals.iucr.org Published On :: 2024-02-16 The direction of particle accelerator development is ever-increasing beam quality, currents and repetition rates. This poses a challenge to traditional diagnostics that directly intercept the beam due to the mutual destruction of both the beam and the diagnostic. An alternative approach is to infer beam parameters non-invasively from the synchrotron radiation emitted in bending magnets. However, inferring the beam distribution from a measured radiation pattern is a complex and computationally expensive task. To address this challenge we present SYRIPY (SYnchrotron Radiation In PYthon), a software package intended as a tool for performing inference of synchrotron-radiation-based diagnostics. SYRIPY has been developed using PyTorch, which makes it both differentiable and able to leverage the high performance of GPUs, two vital characteristics for performing statistical inference. The package consists of three modules: a particle tracker, Lienard–Wiechert solver and Fourier optics propagator, allowing start-to-end simulation of synchrotron radiation detection to be carried out. SYRIPY has been benchmarked against SRW, the prevalent numerical package in the field, showing good agreement and up to a 50× speed improvement. Finally, we have demonstrated how SYRIPY can be used to perform Bayesian inference of beam parameters using stochastic variational inference. Full Article text
rf Enhanced X-ray free-electron laser performance with optical klystron and helical undulators By journals.iucr.org Published On :: 2024-06-11 This article presents a demonstration of the improved performance of an X-ray free-electron laser (FEL) using the optical klystron mechanism and helical undulator configuration, in comparison with the common planar undulator configuration without optical klystron. The demonstration was carried out at Athos, the soft X-ray beamline of SwissFEL. Athos has variable-polarization undulators, and small magnetic chicanes placed between every two undulators to fully exploit the optical klystron. It was found that, for wavelengths of 1.24 nm and 3.10 nm, the required length to achieve FEL saturation is reduced by about 35% when using both the optical klystron and helical undulators, with each effect accounting for about half of the improvement. Moreover, it is shown that a helical undulator configuration provides a 20% to 50% higher pulse energy than planar undulators. This work represents an important step towards more compact and high-power FELs, rendering this key technology more efficient, affordable and accessible to the scientific community. Full Article text
rf Area normalization of HERFD-XANES spectra By journals.iucr.org Published On :: 2024-08-06 The normalization of X-ray absorption near-edge structure (XANES) spectra is required for comparing spectral features and extracting quantitative information in analytical techniques such as linear combination analysis, principal component analysis and multivariate curve resolution. Most published data are normalized to the edge-jump, but normalization to the spectral area has also been applied. The latter is particularly attractive if only a small energy range around the absorption can be recorded reliably. Here, the two normalization methods are compared at the L3-edge of Pt, Pd and Rh, and at the Ni K-edge using experimental and calculated spectra. Normalization to the spectral area is found to be a viable approach if the range for the area normalization is sufficiently large. Full Article text
rf Development of a high-performance and cost-effective in-vacuum undulator By journals.iucr.org Published On :: 2024-08-01 In-vacuum undulators (IVUs), which have become an essential tool in synchrotron radiation facilities, have two technical challenges toward further advancement: one is a strong attractive force between top and bottom magnetic arrays, and the other is a stringent requirement on magnetic materials to avoid demagnetization. The former imposes a complicated design on mechanical and vacuum structures, while the latter limits the possibility of using high-performance permanent magnets. To solve these issues, a number of technical developments have been made, such as force cancellation and modularization of magnetic arrays, and enhancement of resistance against demagnetization by means of a special magnetic circuit. The performance of a new IVU built upon these technologies has revealed their effectiveness for constructing high-performance IVUs in a cost-effective manner. Full Article text
rf Development and performance simulations of a soft X-ray and XUV split-and-delay unit at beamlines FL23/24 at FLASH2 for time-resolved two-color pump–probe experiments By journals.iucr.org Published On :: 2024-08-05 The split-and-delay unit (SDU) at FLASH2 will be upgraded to enable the simultaneous operation of two temporally, spatially and spectrally separated probe beams when the free-electron laser undulators are operated in a two-color scheme. By means of suitable thin filters and an optical grating beam path a wide range of combinations of photon energies in the spectral range from 150 eV to 780 eV can be chosen. In this paper, simulations of the spectral transmission and performance parameters of the filter technique are discussed, along with a monochromator with dispersion compensation presently under construction. Full Article text
rf The soft X-ray spectromicroscopy beamline BL08U1A upgrade at SSRF By journals.iucr.org Published On :: 2024-08-22 Beamline BL08U1A is a soft X-ray spectromicroscopy beamline at Shanghai Synchrotron Radiation Facility (SSRF) that exhibits the capabilities of high spatial resolution (30 nm) and high energy resolving power (over 104). As a first-generation beamline of SSRF, owing to its continuous operation over the last ten years, an urgent upgrade of the equipment including the monochromator was deemed necessary. The upgrade work included the overall construction of the monochromator and replacement of the mirrors upstream and downstream of the monochromator. Based on its original skeleton, two elliptically cylinder mirrors were designed to focus the beam horizontally, which can increase the flux density by about three times on the exit slits. Meanwhile, the application of variable-line-space gratings in the monochromator demonstrates the dual functions of dispersing and focusing on the exit slits which can decrease abberations dramatically. After the upgrade of the main components of the beamline, the energy range is 180–2000 eV, the energy resolving power reaches 16333 @ 244 eV and 12730 @ 401 eV, and the photon flux measured in the experimental station is over 2.45 × 109 photons s−1 (E/ΔE = 6440 @ 244 eV). Full Article text
rf A distributed software system for integrating data-intensive imaging methods in a hard X-ray nanoprobe beamline at the SSRF By journals.iucr.org Published On :: 2024-08-22 The development of hard X-ray nanoprobe techniques has given rise to a number of experimental methods, like nano-XAS, nano-XRD, nano-XRF, ptychography and tomography. Each method has its own unique data processing algorithms. With the increase in data acquisition rate, the large amount of generated data is now a big challenge to these algorithms. In this work, an intuitive, user-friendly software system is introduced to integrate and manage these algorithms; by taking advantage of the loosely coupled, component-based design approach of the system, the data processing speed of the imaging algorithm is enhanced through optimization of the parallelism efficiency. This study provides meaningful solutions to tackle complexity challenges faced in synchrotron data processing. Full Article text
rf Norfloxacinium nitrate By journals.iucr.org Published On :: 2024-08-30 In the title salt [systematic name: 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium nitrate], C16H19FN3O3+·NO3−, proton transfer from nitric acid to the N atom of the piperazine ring of norfloxacin has occurred to form a molecular salt. In the extended structure, N—H⋯O hydrogen bonds link alternating cations and anions into [100] chains, which are reinforced by aromatic π–π stacking interactions between the quinoline moieties of the norfloxacinium cations. Full Article text
rf α-d-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis By journals.iucr.org Published On :: 2024-01-22 α-d-2'-Deoxyribonucleosides are products of the γ-irradiation of DNA under oxygen-free conditions and are constituents of anomeric DNA. They are not found as natural building blocks of canonical DNA. Reports on their conformational properties are limited. Herein, the single-crystal X-ray structure of α-d-2'-deoxyadenosine (α-dA), C10H13N5O3, and its conformational parameters were determined. In the crystalline state, α-dA forms two conformers in the asymmetric unit which are connected by hydrogen bonds. The sugar moiety of each conformer is arranged in a `clamp'-like fashion with respect to the other conformer, forming hydrogen bonds to its nucleobase and sugar residue. For both conformers, a syn conformation of the nucleobase with respect to the sugar moiety was found. This is contrary to the anti conformation usually preferred by α-nucleosides. The sugar conformation of both conformers is C2'-endo, and the 5'-hydroxyl groups are in a +sc orientation, probably due to the hydrogen bonds formed by the conformers. The formation of the supramolecular assembly of α-dA is controlled by hydrogen bonding and stacking interactions, which was verified by a Hirshfeld and curvedness surface analysis. Chains of hydrogen-bonded nucleobases extend parallel to the b direction and are linked to equivalent chains by hydrogen bonds involving the sugar moieties to form a sheet. A comparison of the solid-state structures of the anomeric 2'-deoxyadenosines revealed significant differences of their conformational parameters. Full Article text
rf Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic By journals.iucr.org Published On :: 2024-07-05 Using a 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine with acetic acid, C12H8F2N2·C2H4O2, we investigate the influence of F atoms introduced to the aromatic ring on promoting π–π interactions. The cocrystal crystallizes in the triclinic space group P1. Through crystallographic analysis and computational studies, we reveal the molecular arrangement within this cocrystal, demonstrating the presence of hydrogen bonding between the acetic acid molecule and the pyridyl group, along with π–π interactions between the aromatic rings. Our findings highlight the importance of F atoms in promoting π–π interactions without necessitating full halogenation of the aromatic ring. Full Article text
rf A brief review on computer simulations of chalcopyrite surfaces: structure and reactivity By journals.iucr.org Published On :: 2024-08-08 Chalcopyrite, the world's primary copper ore mineral, is abundant in Latin America. Copper extraction offers significant economic and social benefits due to its strategic importance across various industries. However, the hydrometallurgical route, considered more environmentally friendly for processing low-grade chalcopyrite ores, remains challenging, as does its concentration by froth flotation. This limited understanding stems from the poorly understood structure and reactivity of chalcopyrite surfaces. This study reviews recent contributions using density functional theory (DFT) calculations with periodic boundary conditions and slab models to elucidate chalcopyrite surface properties. Our analysis reveals that reconstructed surfaces preferentially expose S atoms at the topmost layer. Furthermore, some studies report the formation of disulfide groups (S22−) on pristine sulfur-terminated surfaces, accompanied by the reduction of Fe3+ to Fe2+, likely due to surface oxidation. Additionally, Fe sites are consistently identified as favourable adsorption locations for both oxygen (O2) and water (H2O) molecules. Finally, the potential of computer modelling for investigating collector–chalcopyrite surface interactions in the context of selective froth flotation is discussed, highlighting the need for further research in this area. Full Article text
rf Synthesis of organotin(IV) heterocycles containing a xanthenyl group by a Barbier approach via ultrasound activation: synthesis, crystal structure and Hirshfeld surface analysis By journals.iucr.org Published On :: 2024-07-25 A series of organotin heterocycles of general formula [{Me2C(C6H3CH2)2O}SnR2] [R = methyl (Me, 4), n-butyl (n-Bu, 5), benzyl (Bn, 6) and phenyl (Ph, 7)] was easily synthesized by a Barbier-type reaction assisted by the sonochemical activation of metallic magnesium. The 119Sn{1H} NMR data for all four compounds confirm the presence of a central Sn atom in a four-coordinated environment in solution. Single-crystal X-ray diffraction studies for 17,17-dimethyl-7,7-diphenyl-15-oxa-7-stannatetracyclo[11.3.1.05,16.09,14]heptadeca-1,3,5(16),9(14),10,12-hexaene, [Sn(C6H5)2(C17H16O)], 7, at 100 and 295 K confirmed the formation of a mononuclear eight-membered heterocycle, with a conformation depicted as boat–chair, resulting in a weak Sn⋯O interaction. The Sn and O atoms are surrounded by hydrophobic C—H bonds. A Hirshfeld surface analysis of 7 showed that the eight-membered heterocycles are linked by weak C—H⋯π, π–π and H⋯H noncovalent interactions. The pairwise interaction energies showed that the cohesion between the heterocycles are mainly due to dispersion forces. Full Article text