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How small businesses go from brick to virtual

It's difficult to highlight any positives of the recent pandemic. However, if one exists in the business world, it's the virtual infrastructure that was built on the fly to allow companies to make the shift away from traditional brick and mortar operations. If you've been on the fence about a permanent shift in the virtual direction, this is your time to shine. The benefits of going virtual




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AI on the frontline: How can retailers outsmart fraudsters in real time?

By Aviram Ganor, General Manager EMEA, Riskified.

Retailers have plenty to keep them awake at night, whether it’s enticing consumers to shop,  utdoing their competition or – most worrying of all – how to ensure their long-term survival in a rocky economy. Yet the latest insight from the British Retail Consortium offers some hope.




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Dakota smashes 2023 revenue targets as growth trajectory continues

Following a record year in 2022, real-time data capture, printing, mobility and voice-directed solutions specialist, Dakota Integrated Solutions, has again exceeded projected revenue and growth targets during 2023.




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Russia officially accuses Ukraine of bomb terrorism. What does it mean?

Russia will build a line of struggle against the "terrorist enclave” in Ukraine similarly to the line that Israel is building in its struggle against Hamas. The world will again look at the double standards of the United States at their finest. The Russian Foreign Ministry accused Ukraine of: bomb terrorism; financing of terrorism. The ministry said that investigative actions revealed Ukraine being behind the latest terrorist attacks in Russia. The department also demanded Kyiv should "arrest and extradite all persons involved” within the framework of the International Convention for the Suppression of Terrorist Bombings (ICBT) and the International Convention for the Suppression of the Financing of Terrorism. The Foreign Ministry clarified that a note to Kyiv regarding the terrorist attack at Crocus City Hall would be sent separately after the completion of the investigation.




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KEENON Robotics showcases smart service solutions at 2024 World Robot Conference

KEENON Robotics presented its latest smart service solutions with embodied intelligence at the 2024 World Robot Conference, held at the Beijing Etrong International Exhibition and Convention Center, from 21-25 August 2024.




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Refugees dismiss head of Sudzha for inaction

The head of the Sudzha district of the Kursk region of Russia, Alexander Bogachev, was dismissed from his post. The official was fired on November 12 at a meeting of the regional leadership with the local population. According to Mash Telegram channel, the reason for the decision was Bogachev's unwillingness to communicate with displaced residents. Since August 6, the head of the municipality has not communicated with those who had to leave their homes in Sudzha after the Armed Forces of Ukraine attacked the area. Residents of the district gathered on Red Square in Kursk last weekend demanding officials answer their questions about social support measures, since many were left without housing and means of subsistence. The head of the Sudzha district of the Kursk region, Alexander Bogachev, was fired as a result of the meeting. The people met the news about his dismissal with applause.




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How Old is the Earth: A Response to "Scientific" Creationism

Added January 10, 2006: A classic and often-referenced 1984 paper by G. Brent Dalrymple. The paper contains short but accurate expositions of radiometric dating methods and discussions of creationist criticisms and attempts to date the Earth as young. It includes material difficult to find elsewhere, such as the discussion of mixing isochrons and the effect of neutron-capture reactions. Dr. Dalrymple is a member of the National Academy of Sciences, a winner of the National Medal of Science, a former president of the American Geophysical Union, and the author of The Age of the Earth




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March 2006 Post of the Month: The History of Creationism

Added April 13, 2006:




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86% of smartphone users at risk of being secretly recorded

“In an age when your digital privacy can be invaded by several types of software unconsciously, it turns into a vital skill to learn how to protect your PC and your private conversations,” said Thibeau Maerevoet, ProxyScrape CEO.




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Smoking vapes develops EVALI, cancer and dental problems

Smoking vapes and electronic cigarettes may lead to the development of a new lung disease that was dubbed as EVALI (E-cigarette and Vaping use-Associated Lung Injury). Research works to study EVALI slowed down with the onset of the coronavirus pandemic due to the similarity of symptoms, whereas the detection rate stopped growing, the Russian Health Ministry said. Symptoms of EVALI similar to those of COVID-19 Symptoms of the new disease are in many ways similar to symptoms of COVID-19. They include:




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Smidt Heart Institute Experts Will Give Key Presentations at AHA Scientific Sessions 2024

Physicians and investigators from the Smidt Heart Institute at Cedars-Sinai will give more than 30 presentations at the American Heart Association (AHA) Scientific Sessions Nov. 16-18 in Chicago.




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Study: Student Absenteeism Crisis May Be Hurting Teacher Job Satisfaction

As student absenteeism reaches record highs in schools across the United States, new research finds that student absences are linked to lower teacher job satisfaction, raising concerns that this may exacerbate growing teacher shortages.




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Smidt Heart Institute Experts Will Give Key Presentations at AHA Scientific Sessions 2024

Physicians and investigators from the Smidt Heart Institute at Cedars-Sinai will give more than 30 presentations at the American Heart Association (AHA) Scientific Sessions Nov. 16-18 in Chicago.




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When There's No One Else to Blame: The Impact of Coworkers' Perceived Competence and Warmth on the Relations between Ostracism, Shame, and Ingratiation




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The Dismissal of New Female CEOs: A Role Congruity Perspective




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Ex-Nat'l Security Advisor Warns US Isolationism Could Intensify under 2nd Trump Term

[Politics] :
John Bolton, former national security advisor under the first Donald Trump administration, warned that U.S. isolationism is expected to further intensify as Trump returns to office for a second term. In an interview with Japanese daily Yomiuri Shimbun a day before the election on Monday and published on ...

[more...]




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S. Korean Military Dismisses Accusation that Drone Flew to Pyongang from Baengnyeong Island

[Inter-Korea] :
The South Korean military has dismissed North Korea’s claims that a drone invaded its airspace earlier this month after taking off from the South’s Baengnyeong Island near the western de facto maritime border. At a press briefing Monday, spokesperson Lee Sung-joon from Seoul’s Joint Chiefs of ...

[more...]




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Archangel Roles and Significance in Christianity and Catholicism

In Christian tradition, an archangel is among of the most revered and powerful spiritual beings in the celestial hierarchy. Mentioned directly in both the Old and New Testaments, these angels serve as messengers, protectors and agents of God's divine will.




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What Happens in Aquarius Season? A Deep Dive Into Its Cosmic Influence

Explore Aquarius Season's unique energy, from innovation to social connection. Learn how this zodiac period influences creativity, relationships, and self-expression.




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Ace of Swords Reversed: Symbolism and Spiritual Implications

Discover the meaning of the Ace of Swords reversed in tarot. Explore its insights on clarity, communication, and inner conflicts in love, career, and personal growth.








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Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks

The hydro­thermal synthesis and structural characterization of four novel 3D pillared-layer metal–organic frameworks are studied, revealing how the malleability of copper coordination geometries drives diverse supramolecular isomerism. The findings provide new insights into designing advanced hybrid materials with tailored properties, emphasizing the significant role of reaction conditions and metal ion flexibility in determining network topologies.




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Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture

A new orthorhombic crystal Pb5(PO4)3OHδ of space-group symmetry Pnma significantly differs differing from the hexagonal apatite phases of Pb10(PO4)6O and Pb5(PO4)3OH.




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Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test

The seventh blind test of crystal structure prediction (CSP) methods substantially increased the level of complexity of the target compounds relative to the previous tests organized by the Cambridge Crystallographic Data Centre. In this work, the performance of density-functional methods is assessed using numerical atomic orbitals and the exchange-hole dipole moment dispersion correction (XDM) for the energy-ranking phase of the seventh blind test. Overall, excellent performance was seen for the two rigid molecules (XXVII, XXVIII) and for the organic salt (XXXIII). However, for the agrochemical (XXXI) and pharmaceutical (XXXII) targets, the experimental polymorphs were ranked fairly high in energy amongst the provided candidate structures and inclusion of thermal free-energy corrections from the lattice vibrations was found to be essential for compound XXXI. Based on these results, it is proposed that the importance of vibrational free-energy corrections increases with the number of rotatable bonds.




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Automated selection of nanoparticle models for small-angle X-ray scattering data analysis using machine learning

Small-angle X-ray scattering (SAXS) is widely used to analyze the shape and size of nanoparticles in solution. A multitude of models, describing the SAXS intensity resulting from nanoparticles of various shapes, have been developed by the scientific community and are used for data analysis. Choosing the optimal model is a crucial step in data analysis, which can be difficult and time-consuming, especially for non-expert users. An algorithm is proposed, based on machine learning, representation learning and SAXS-specific preprocessing methods, which instantly selects the nanoparticle model best suited to describe SAXS data. The different algorithms compared are trained and evaluated on a simulated database. This database includes 75 000 scattering spectra from nine nanoparticle models, and realistically simulates two distinct device configurations. It will be made freely available to serve as a basis of comparison for future work. Deploying a universal solution for automatic nanoparticle model selection is a challenge made more difficult by the diversity of SAXS instruments and their flexible settings. The poor transferability of classification rules learned on one device configuration to another is highlighted. It is shown that training on several device configurations enables the algorithm to be generalized, without degrading performance compared with configuration-specific training. Finally, the classification algorithm is evaluated on a real data set obtained by performing SAXS experiments on nanoparticles for each of the instrumental configurations, which have been characterized by transmission electron microscopy. This data set, although very limited, allows estimation of the transferability of the classification rules learned on simulated data to real data.




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Ternary structure of Plasmodium vivax N-myristoyltransferase with myristoyl-CoA and inhibitor IMP-0001173

Plasmodium vivax is a major cause of malaria, which poses an increased health burden on approximately one third of the world's population due to climate change. Primaquine, the preferred treatment for P. vivax malaria, is contraindicated in individuals with glucose-6-phosphate dehydrogenase (G6PD) deficiency, a common genetic cause of hemolytic anemia, that affects ∼2.5% of the world's population and ∼8% of the population in areas of the world where P. vivax malaria is endemic. The Seattle Structural Genomics Center for Infectious Disease (SSGCID) conducted a structure–function analysis of P. vivax N-myristoyltransferase (PvNMT) as part of efforts to develop alternative malaria drugs. PvNMT catalyzes the attachment of myristate to the N-terminal glycine of many proteins, and this critical post-translational modification is required for the survival of P. vivax. The first step is the formation of a PvNMT–myristoyl–CoA binary complex that can bind to peptides. Understanding how inhibitors prevent protein binding will facilitate the development of PvNMT as a viable drug target. NMTs are secreted in all life stages of malarial parasites, making them attractive targets, unlike current antimalarials that are only effective during the plasmodial erythrocytic stages. The 2.3 Å resolution crystal structure of the ternary complex of PvNMT with myristoyl-CoA and a novel inhibitor is reported. One asymmetric unit contains two monomers. The structure reveals notable differences between the PvNMT and human enzymes and similarities to other plasmodial NMTs that can be exploited to develop new antimalarials.




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The smearing function for a multi-slit very small angle neutron scattering instrument

This study validates the feasibility of applying a smearing method for the multi-slit very small angle neutron scattering instrument (MS-VSANS) at the China Spallation Neutron Source. Through analysis limited to a vertical range of 8 mm, the study demonstrates consistency between the predicted smearing function and experimental data, marking a significant milestone in utilizing real data from such instruments.




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Grazing-incidence small-angle neutron scattering at high pressure (HP-GISANS): a soft matter feasibility study on grafted brush films

We present a demonstration of high-pressure grazing-incidence small-angle neutron scattering for soft matter thin films. The results suggest changes in water reorganization at different pressures.




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A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines

The correct determination of X-ray transmission at X-ray nanoprobes equipped with small beamstops for small- and wide-angle X-ray scattering collection is an unsolved problem with huge implications for data correction pipelines. We present a cost-effective solution to detect the transmission via the X-ray fluorescence of the beamstop with an avalanche photodiode.




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Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation

Rotations of small- and wide-angle X-ray scattering samples during acquisition are shown to give a drastic improvement in the reliability of the characterization of anisotropic precipitates in metallic alloys.




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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 structures and circular dichroism of {2,2'-[(1S,2S)-1,2-di­phenyl­ethane-1,2-diylbis(nitrilophenyl­methanylyl­idene)]diphenolato}nickel(II) and its ethanol solvate

A chiral nickel(II) Schiff base complex derived from 2-hy­droxy­benzo­phenone and (1S,2S)-1,2-di­phenyl­ethyl­enedi­amine shows a λ conformation of the central di­amine chelate ring. The substituents on the C&z-dbnd;N carbon atoms significantly affect the circular dichroism spectra.




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A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines

Quantitative X-ray diffraction approaches require careful correction for sample transmission. Though this is a routine task at state-of-the-art small-angle X-ray scattering (SAXS), wide-angle X-ray scattering (WAXS) or diffraction beamlines at synchrotron facilities, the transmission signal cannot be recorded concurrently with SAXS/WAXS when using the small, sub-millimetre beamstops at many X-ray nanoprobes during SAXS/WAXS experiments due to the divergence-limited size of the beamstop and the generally tight geometry. This is detrimental to the data quality and often the only solution is to re-scan the sample with a PIN photodiode as a detector to obtain transmission values. In this manuscript, we present a simple yet effective solution to this problem in the form of a small beamstop with an inlaid metal target for optimal fluorescence yield. This fluorescence can be detected with a high-sensitivity avalanche photodiode and provides a linear counter to determine the sample transmission.




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Grazing-incidence small-angle neutron scattering at high pressure (HP-GISANS): a soft matter feasibility study on grafted brush films

Grazing-incidence small-angle neutron scattering (GISANS) under pressure (HP-GISANS) at the solid (Si)–liquid (D2O) interface is demonstrated for the pressure-induced lateral morphological characterization of the nanostructure in thin (<100 nm) soft matter films. We demonstrate feasibility by investigating a hydrophobic {poly[(2,2,3,3,4,4,5,5-octafluoro)pentyl methacrylate]} (POFPMA)–hydrophilic {poly[2-(dimethylamino)ethyl methacrylate]} (PDMAEMA) brush mixture of strong incompatibility between the homopolymers, anchored on Si, at T = 45°C for two pressures, P = 1 bar and P = 800 bar. Our GISANS results reveal nanostructural rearrangements with increasing P, underlining P-induced effects in tethered polymer brush layers swollen with bulk solvent.




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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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Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation

Nanometric precipitates in metallic alloys often have highly anisotropic shapes. Given the large grain size and non-random texture typical of these alloys, performing small- and wide-angle X-ray scattering (SAXS/WAXS) measurements on such samples for determining their characteristics (typically size and volume fraction) results in highly anisotropic and irreproducible data. Rotations of flat samples during SAXS/WAXS acquisitions are presented here as a solution to these anisotropy issues. Two aluminium alloys containing anisotropic precipitates are used as examples to validate the approach with a −45°/45° angular range. Clear improvements can be seen on the SAXS I(q) fitting and the consistency between the different SAXS/WAXS measurements. This methodology results in more reliable measurements of the precipitate's characteristics, and thus allows for time- and space-resolved measurements with higher accuracy.




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The smearing function for a multi-slit very small angle neutron scattering instrument

Besides traditional pinhole geometry, the multi-slit very small angle neutron scattering instrument (MS-VSANS) at the China Spallation Neutron Source also utilizes a multi-slit collimation system to focus neutrons. Using the special focusing structures, the minimum scattering vector magnitude (q) can reach 0.00028 Å−1. The special structures also lead to a significantly different smearing function. By comparing the results of theoretical calculations with experimental data, we have validated the feasibility of a smearing method based on a mature theory for slit smearing. We use the weight-averaged intensity of neutron wavelength as a representative to evaluate the effect from a broad wavelength distribution, concentrating on the effect from the geometry of the multi-slit structures and the detector. The consistency of the theoretical calculation of the smearing function with experimental VSANS scattering profiles for a series of polystyrene standards of different diameters proves the feasibility of the smearing method. This marks the inaugural use of real experimental data from an instrument employing a multi-slit collimation system.




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Influence of device configuration and noise on a machine learning predictor for the selection of nanoparticle small-angle X-ray scattering models

Small-angle X-ray scattering (SAXS) is a widely used method for nanoparticle characterization. A common approach to analysing nanoparticles in solution by SAXS involves fitting the curve using a parametric model that relates real-space parameters, such as nanoparticle size and electron density, to intensity values in reciprocal space. Selecting the optimal model is a crucial step in terms of analysis quality and can be time-consuming and complex. Several studies have proposed effective methods, based on machine learning, to automate the model selection step. Deploying these methods in software intended for both researchers and industry raises several issues. The diversity of SAXS instrumentation requires assessment of the robustness of these methods on data from various machine configurations, involving significant variations in the q-space ranges and highly variable signal-to-noise ratios (SNR) from one data set to another. In the case of laboratory instrumentation, data acquisition can be time-consuming and there is no universal criterion for defining an optimal acquisition time. This paper presents an approach that revisits the nanoparticle model selection method proposed by Monge et al. [Acta Cryst. (2024), A80, 202–212], evaluating and enhancing its robustness on data from device configurations not seen during training, by expanding the data set used for training. The influence of SNR on predictor robustness is then assessed, improved, and used to propose a stopping criterion for optimizing the trade-off between exposure time and data quality.




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Crystal structures and circular dichroism of {2,2'-[(1S,2S)-1,2-diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II) and its ethanol solvate

The title compound, [Ni(C40H30N2O2)] (1), with an optically active Schiff base ligand derived from 2-hydroxybenzophenone and (1S,2S)-1,2-diphenylethylenediamine, was crystallized as the solvent-free and ethanol solvate forms (1 and 1·2C2H5OH). In both structures, the two phenyl groups on the stereogenic centers of the O,N,N,O-tetradentate ligand are axially oriented, and the conformation of the central diamine chelate ring is λ. The circular dichroism (CD) spectra of 1 and the analogous nickel(II) complex [Ni(C30H26N2O2)] (2) in solution show partially similar patterns in the 350–450 nm range, but are mirror images in the longer wavelength region (450–650 nm). In the latter region, the sign of CD for these complexes is sensitive to the substituents on the C=N carbon atoms (phenyl for 1 and methyl for 2) rather than the diamine chelate ring conformation.




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In situ characterization of stresses, deformation and fracture of thin films using transmission X-ray nanodiffraction microscopy

The use of hard X-ray transmission nano- and microdiffraction to perform in situ stress and strain measurements during deformation has recently been demonstrated and used to investigate many thin film systems. Here a newly commissioned sample environment based on a commercially available nanoindenter is presented, which is available at the NanoMAX beamline at the MAX IV synchrotron. Using X-ray nanoprobes of around 60–70 nm at 14–16 keV and a scanning step size of 100 nm, we map the strains, stresses, plastic deformation and fracture during nanoindentation of industrial coatings with thicknesses in the range of several micrometres, relatively strong texture and large grains. The successful measurements of such challenging samples illustrate broad applicability. The sample environment is openly accessible for NanoMAX beamline users through the MAX IV sample environment pool, and its capability can be further extended for specific purposes through additional available modules.




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Angle-resolved X-ray emission spectroscopy facility realized by an innovative spectrometer rotation mechanism at SPring-8 BL07LSU

The X-ray emission spectrometer at SPring-8 BL07LSU has recently been upgraded with advanced modifications that enable the rotation of the spectrometer with respect to the scattering angle. This major upgrade allows the scattering angle to be flexibly changed within the range of 45–135°, which considerably simplifies the measurement of angle-resolved X-ray emission spectroscopy. To accomplish the rotation system, a sophisticated sample chamber and a highly precise spectrometer rotation mechanism have been developed. The sample chamber has a specially designed combination of three rotary stages that can smoothly move the connection flange along the wide scattering angle without breaking the vacuum. In addition, the spectrometer is rotated by sliding on a flat metal surface, ensuring exceptionally high accuracy in rotation and eliminating the need for any further adjustments during rotation. A control system that integrates the sample chamber and rotation mechanism to automate the measurement of angle-resolved X-ray emission spectroscopy has also been developed. This automation substantially streamlines the process of measuring angle-resolved spectra, making it far easier than ever before. Furthermore, the upgraded X-ray emission spectrometer can now also be utilized in diffraction experiments, providing even greater versatility to our research capabilities.




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Open-source electrochemical cell for in situ X-ray absorption spectroscopy in transmission and fluorescence modes

X-ray spectroscopy is a valuable technique for the study of many materials systems. Characterizing reactions in situ and operando can reveal complex reaction kinetics, which is crucial to understanding active site composition and reaction mechanisms. In this project, the design, fabrication and testing of an open-source and easy-to-fabricate electrochemical cell for in situ electrochemistry compatible with X-ray absorption spectroscopy in both transmission and fluorescence modes are accomplished via windows with large opening angles on both the upstream and downstream sides of the cell. Using a hobbyist computer numerical control machine and free 3D CAD software, anyone can make a reliable electrochemical cell using this design. Onion-like carbon nanoparticles, with a 1:3 iron-to-cobalt ratio, were drop-coated onto carbon paper for testing in situ X-ray absorption spectroscopy. Cyclic voltammetry of the carbon paper showed the expected behavior, with no increased ohmic drop, even in sandwiched cells. Chronoamperometry was used to apply 0.4 V versus reversible hydrogen electrode, with and without 15 min of oxygen purging to ensure that the electrochemical cell does not provide any artefacts due to gas purging. The XANES and EXAFS spectra showed no differences with and without oxygen, as expected at 0.4 V, without any artefacts due to gas purging. The development of this open-source electrochemical cell design allows for improved collection of in situ X-ray absorption spectroscopy data and enables researchers to perform both transmission and fluorescence simultaneously. It additionally addresses key practical considerations including gas purging, reduced ionic resistance and leak prevention.




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Enhancing electrospray ionization efficiency for particle transmission through an aerodynamic lens stack

This work investigates the performance of the electrospray aerosol generator at the European X-ray Free Electron Laser (EuXFEL). This generator is, together with an aerodynamic lens stack that transports the particles into the X-ray interaction vacuum chamber, the method of choice to deliver particles for single-particle coherent diffractive imaging (SPI) experiments at the EuXFEL. For these experiments to be successful, it is necessary to achieve high transmission of particles from solution into the vacuum interaction region. Particle transmission is highly dependent on efficient neutralization of the charged aerosol generated by the electrospray mechanism as well as the geometry in the vicinity of the Taylor cone. We report absolute particle transmission values for different neutralizers and geometries while keeping the conditions suitable for SPI experiments. Our findings reveal that a vacuum ultraviolet ionizer demonstrates a transmission efficiency approximately seven times greater than the soft X-ray ionizer used previously. Combined with an optimized orifice size on the counter electrode, we achieve >40% particle transmission from solution into the X-ray interaction region. These findings offer valuable insights for optimizing electrospray aerosol generator configurations and data rates for SPI experiments.




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Developing an in situ LED irradiation system for small-angle X-ray scattering at B21, Diamond Light Source

Beamline B21 at the Diamond Light Source synchrotron in the UK is a small-angle X-ray scattering (SAXS) beamline that specializes in high-throughput measurements via automated sample delivery systems. A system has been developed whereby a sample can be illuminated by a focused beam of light coincident with the X-ray beam. The system is compatible with the highly automated sample delivery system at the beamline and allows a beamline user to select a light source from a broad range of wavelengths across the UV and visible spectrum and to control the timing and duration of the light pulse with respect to the X-ray exposure of the SAXS measurement. The intensity of the light source has been characterized across the wavelength range enabling experiments where a quantitative measure of dose is important. Finally, the utility of the system is demonstrated via measurement of several light-responsive samples.




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PEPICO analysis of catalytic reactor effluents towards quantitative isomer discrimination: DME conversion over a ZSM-5 zeolite

The methanol-to-hydrocarbons (MTH) process involves the conversion of methanol, a C1 feedstock that can be produced from green sources, into hydrocarbons using shape-selective microporous acidic catalysts – zeolite and zeotypes. This reaction yields a complex mixture of species, some of which are highly reactive and/or present in several isomeric forms, posing significant challenges for effluent analysis. Conventional gas-phase chromatography (GC) is typically employed for the analysis of reaction products in laboratory flow reactors. However, GC is not suitable for the detection of highly reactive intermediates such as ketene or formaldehyde and is not suitable for kinetic studies under well defined low pressure conditions. Photoelectron–photoion coincidence (PEPICO) spectroscopy has emerged as a powerful analytical tool for unraveling complex compositions of catalytic effluents, but its availability is limited to a handful of facilities worldwide. Herein, PEPICO analysis of catalytic reactor effluents has been implemented at the FinEstBeAMS beamline of MAX IV Laboratory. The conversion of dimethyl ether (DME) on a zeolite catalyst (ZSM-5-MFI27) is used as a prototypical model reaction producing a wide distribution of hydrocarbon products. Since in zeolites methanol is quickly equilibrated with DME, this reaction can be used to probe vast sub-networks of the full MTH process, while eliminating or at least slowing down methanol-induced secondary reactions and catalyst deactivation. Quantitative discrimination of xylene isomers in the effluent stream is achieved by deconvoluting the coincidence photoelectron spectra.




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In situ photodeposition of ultra-small palladium particles on TiO2

In situ and operando investigation of photocatalysts plays a fundamental role in understanding the processes of active phase formation and the mechanisms of catalytic reactions, which is crucial for the rational design of more efficient materials. Using a custom-made operando photocatalytic cell, an in situ procedure to follow the formation steps of Pd/TiO2 photocatalyst by synchrotron-based X-ray absorption spectroscopy (XAS) is proposed. The procedure resulted in the formation of ∼1 nm Pd particles with a much narrower size distribution and homogeneous spreading over TiO2 support compared with the samples generated in a conventional batch reactor. The combination of in situ XAS spectroscopy with high-angle annular dark-field scanning transmission electron microscopy demonstrated the formation of single-atom Pd(0) sites on TiO2 as the initial step of the photodeposition process. Palladium hydride particles were observed for all investigated samples upon exposure to formic acid solutions.




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A 1D imaging soft X-ray spectrometer for the small quantum systems instrument at the European XFEL

A 1D imaging soft X-ray spectrometer installed on the small quantum systems (SQS) scientific instrument of the European XFEL is described. It uses movable cylindrical constant-line-spacing gratings in the Rowland configuration for energy dispersion in the vertical plane, and Wolter optics for simultaneous 1D imaging of the source in the horizontal plane. The soft X-ray fluorescence spectro-imaging capability will be exploited in pump–probe measurements and in investigations of propagation effects and other nonlinear phenomena.