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Why RFID is the future: Working more efficiently with DENSO

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.




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Checkpoint unveils new RFreshID solution for improved inventory accuracy and reduced waste

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.




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Scanning performance further improved: DENSO launches new SP1 Autopilot function

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.




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Benefits of RFID in retail: Improved inventory management and happier customers

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.




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Market-leading discount supermarket selects inotec to supply 40 million RFID identification cards

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. 



  • RFID
  • Print & Label
  • Retail Supply Chain

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RAIN RFID tag IC 2021 sales volume rockets up 36%

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.




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How RFID technology for inventory management can also be leveraged for employee access control

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.




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SATO Europe launches RAIN RFID asset management solution ASETRA to boost operational efficiency

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.




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Exploring The Distinctions, Applications, And Development of RFID And NFC Systems

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.




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Riverside’s RFID and AI technology developed to accelerate growth in greeting cards category performance

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.




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RAIN Alliance reports 32% Increase in global RAIN RFID chip shipments as adoption and usage diversifies across multiple industries

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....




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RAIN RFID tag chip shipments forecast to reach 115bn units by 2028, a year-on-year growth of 20.4%

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.




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Advantages of RFID: The future of retail is digital

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.




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Compact high-performance embedded computer for kiosk and robotics applications

Advantech, provider of AIoT platforms and services, has launched ARK-3533, a compact fanless edge computer tailored for kiosk and robotics applications.




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Russia annihilates airfields for F-16 fighters and underground command bunkers

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.




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How retail can reap the rewards of RAIN RFID

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.




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gStore by GreyOrange unveils SoftFence - Next-generation virtual shielding for RFID-driven retail operations

GreyOrange Inc. has introduced SoftFence, a virtual shielding technology from its retail software as a service (SaaS) platform, gStore.




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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"

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.




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ESG as a Nonmarket Strategy to Cope with Geopolitical Tension: Empirical Evidence From Multinationals' ESG Performance




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Ateez Adds Performances to World Tour


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...]




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Is Taurus and Virgo Compatibility a Perfect Match? Exploring Their Bond

Discover Taurus and Virgo compatibility in love, relationships, and friendship. Explore how these earth signs align in values, trust, and practical connections.





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Morphological control for hollow rod crystals of a photochromic di­aryl­ethene on spherulites by surface properties of substrates

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.




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Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates

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.




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ClusterFinder: a fast tool to find cluster structures from pair distribution function data

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.




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Small-angle scattering and dark-field imaging for validation of a new neutron far-field interferometer

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.




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Crystal structure and Hirshfeld surface analysis of bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI)

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.




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Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13

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.




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Crystal structure, Hirshfeld surface analysis, DFT and mol­ecular docking studies of ethyl 5-amino-2-bromo­isonicotinate

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.




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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

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.




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Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth­oxy­phen­yl)picolinamide

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.




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Small-angle scattering and dark-field imaging for validation of a new neutron far-field interferometer

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.




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Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies of ethyl 5-amino-2-bromoisonicotinate

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.




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Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13

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.




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Performance of a photoelectron momentum microscope in direct- and momentum-space imaging with ultraviolet photon sources

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.




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Combination of XEOL, TR-XEOL and HB-T interferometer at the TPS 23A X-ray nanoprobe for exploring quantum materials

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.




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Finback: a web-based data collection system at SSRF biological macromolecular crystallography beamlines

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.




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Grazing-incidence synchrotron radiation diffraction studies on irradiated Ce-doped and pristine Y-stabilized ZrO2 at the Rossendorf beamline

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.




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A differentiable simulation package for performing inference of synchrotron-radiation-based diagnostics

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.




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Enhanced X-ray free-electron laser performance with optical klystron and helical undulators

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.




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Area normalization of HERFD-XANES spectra

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.




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Development of a high-performance and cost-effective in-vacuum undulator

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.




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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

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.




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The soft X-ray spectromicroscopy beamline BL08U1A upgrade at SSRF

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).




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A distributed software system for integrating data-intensive imaging methods in a hard X-ray nanoprobe beamline at the SSRF

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.




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Norfloxacinium nitrate

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.




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α-d-2'-De­oxy­adenosine, an irradiation product of canonical DNA and a com­ponent of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis

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.




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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

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.




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A brief review on com­puter simulations of chal­co­py­rite surfaces: structure and reactivity

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.




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Synthesis of organotin(IV) heterocycles containing a xanthenyl group by a Barbier approach via ultrasound activation: synthesis, crystal structure and Hirshfeld surface analysis

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.