all Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate By journals.iucr.org Published On :: 2024-08-16 This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively. Full Article text
all POMFinder: identifying polyoxometallate cluster structures from pair distribution function data using explainable machine learning By journals.iucr.org Published On :: 2024-02-01 Characterization of a material structure with pair distribution function (PDF) analysis typically involves refining a structure model against an experimental data set, but finding or constructing a suitable atomic model for PDF modelling can be an extremely labour-intensive task, requiring carefully browsing through large numbers of possible models. Presented here is POMFinder, a machine learning (ML) classifier that rapidly screens a database of structures, here polyoxometallate (POM) clusters, to identify candidate structures for PDF data modelling. The approach is shown to identify suitable POMs from experimental data, including in situ data collected with fast acquisition times. This automated approach has significant potential for identifying suitable models for structure refinement to extract quantitative structural parameters in materials chemistry research. POMFinder is open source and user friendly, making it accessible to those without prior ML knowledge. It is also demonstrated that POMFinder offers a promising modelling framework for combined modelling of multiple scattering techniques. Full Article text
all BioXTAS RAW 2: new developments for a free open-source program for small-angle scattering data reduction and analysis By journals.iucr.org Published On :: 2024-02-01 BioXTAS RAW is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in RAW version 2 are described. These include improved data reduction using pyFAI; updated automated Guinier fitting and Dmax finding algorithms; automated series (e.g. size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares (REGALS); creation of electron-density reconstructions using electron density via solution scattering (DENSS); a comparison window showing residuals, ratios and statistical comparisons between profiles; and generation of PDF reports with summary plots and tables for all analysis. Furthermore, there is now a RAW API, which can be used without the graphical user interface (GUI), providing full access to all of the functionality found in the GUI. In addition to these new capabilities, RAW has undergone significant technical updates, such as adding Python 3 compatibility, and has entirely new documentation available both online and in the program. Full Article text
all The multi-slit very small angle neutron scattering instrument at the China Spallation Neutron Source By journals.iucr.org Published On :: 2024-03-21 A multi-slit very small angle neutron scattering (MS-VSANS) instrument has been finally accepted at the China Spallation Neutron Source (CSNS). It is the first spallation neutron source based VSANS instrument. MS-VSANS has a good signal-to-noise ratio and can cover a wide scattering vector magnitude range from 0.00028 to 1.4 Å−1. In its primary flight path, a combined curved multichannel beam bender and sections of rotary exchange drums are installed to minimize the background downstream of the instrument. An exchangeable multi-slit beam focusing system is integrated into the primary flight path, enabling access to a minimum scattering vector magnitude of 0.00028 Å−1. MS-VSANS has three modes, namely conventional SANS, polarizing SANS and VSANS modes. In the SANS mode, three motorized high-efficiency 3He tube detectors inside the detector tank cover scattering angles from 0.12 to 35° simultaneously. In the polarizing SANS mode, a double-V cavity provides highly polarized neutrons and a high-efficiency 3He polarization analyser allows full polarization analysis. In the VSANS mode, an innovative high-resolution gas electron multiplier detector covers scattering angles from 0.016 to 0.447°. The absolute scattering intensities of a selection of standard samples are obtained using the direct-beam technique; the effectiveness of this method is verified by testing the standard samples and comparing the results with those from a benchmark instrument. The MS-VSANS instrument is designed to be flexible and versatile and all the design goals have been achieved. Full Article text
all Robust image descriptor for machine learning based data reduction in serial crystallography By journals.iucr.org Published On :: 2024-03-26 Serial crystallography experiments at synchrotron and X-ray free-electron laser (XFEL) sources are producing crystallographic data sets of ever-increasing volume. While these experiments have large data sets and high-frame-rate detectors (around 3520 frames per second), only a small percentage of the data are useful for downstream analysis. Thus, an efficient and real-time data classification pipeline is essential to differentiate reliably between useful and non-useful images, typically known as `hit' and `miss', respectively, and keep only hit images on disk for further analysis such as peak finding and indexing. While feature-point extraction is a key component of modern approaches to image classification, existing approaches require computationally expensive patch preprocessing to handle perspective distortion. This paper proposes a pipeline to categorize the data, consisting of a real-time feature extraction algorithm called modified and parallelized FAST (MP-FAST), an image descriptor and a machine learning classifier. For parallelizing the primary operations of the proposed pipeline, central processing units, graphics processing units and field-programmable gate arrays are implemented and their performances compared. Finally, MP-FAST-based image classification is evaluated using a multi-layer perceptron on various data sets, including both synthetic and experimental data. This approach demonstrates superior performance compared with other feature extractors and classifiers. Full Article text
all SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures By journals.iucr.org Published On :: 2024-03-31 Analysis of small-angle scattering (SAS) data requires intensive modeling to infer and characterize the structures present in a sample. This iterative improvement of models is a time-consuming process. Presented here is Scattering Equation Builder (SEB), a C++ library that derives exact analytic expressions for the form factors of complex composite structures. The user writes a small program that specifies how the sub-units should be linked to form a composite structure and calls SEB to obtain an expression for the form factor. SEB supports e.g. Gaussian polymer chains and loops, thin rods and circles, solid spheres, spherical shells and cylinders, and many different options for how these can be linked together. The formalism behind SEB is presented and simple case studies are given, such as block copolymers with different types of linkage, as well as more complex examples, such as a random walk model of 100 linked sub-units, dendrimers, polymers and rods attached to the surfaces of geometric objects, and finally the scattering from a linear chain of five stars, where each star is built up of four diblock copolymers. These examples illustrate how SEB can be used to develop complex models and hence reduce the cost of analyzing SAS data. Full Article text
all Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace By journals.iucr.org Published On :: 2024-03-31 X-ray Laue microdiffraction aims to characterize microstructural and mechanical fields in polycrystalline specimens at the sub-micrometre scale with a strain resolution of ∼10−4. Here, a new and unique Laue microdiffraction setup and alignment procedure is presented, allowing measurements at temperatures as high as 1500 K, with the objective to extend the technique for the study of crystalline phase transitions and associated strain-field evolution that occur at high temperatures. A method is provided to measure the real temperature encountered by the specimen, which can be critical for precise phase-transition studies, as well as a strategy to calibrate the setup geometry to account for the sample and furnace dilation using a standard α-alumina single crystal. A first application to phase transitions in a polycrystalline specimen of pure zirconia is provided as an illustrative example. Full Article text
all A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering By journals.iucr.org Published On :: 2024-03-29 This article describes a correction procedure for the removal of indirect background contributions to measured small-angle X-ray scattering patterns. The high scattering power of a sample in the ultra-small-angle region may serve as a secondary source for a window placed in front of the detector. The resulting secondary scattering appears as a sample-dependent background in the measured pattern that cannot be directly subtracted. This is an intricate problem in measurements at ultra-low angles, which can significantly reduce the useful dynamic range of detection. Two different procedures are presented to retrieve the real scattering profile of the sample. Full Article text
all Design and fabrication of 3D-printed in situ crystallization plates for probing microcrystals in an external electric field By journals.iucr.org Published On :: 2024-04-15 X-ray crystallography is an established tool to probe the structure of macromolecules with atomic resolution. Compared with alternative techniques such as single-particle cryo-electron microscopy and micro-electron diffraction, X-ray crystallography is uniquely suited to room-temperature studies and for obtaining a detailed picture of macromolecules subjected to an external electric field (EEF). The impact of an EEF on proteins has been extensively explored through single-crystal X-ray crystallography, which works well with larger high-quality protein crystals. This article introduces a novel design for a 3D-printed in situ crystallization plate that serves a dual purpose: fostering crystal growth and allowing the concurrent examination of the effects of an EEF on crystals of varying sizes. The plate's compatibility with established X-ray crystallography techniques is evaluated. Full Article text
all Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions By journals.iucr.org Published On :: 2024-04-15 Processing of single-crystal X-ray diffraction data from area detectors can be separated into two steps. First, raw intensities are obtained by integration of the diffraction images, and then data correction and reduction are performed to determine structure-factor amplitudes and their uncertainties. The second step considers the diffraction geometry, sample illumination, decay, absorption and other effects. While absorption is only a minor effect in standard macromolecular crystallography (MX), it can become the largest source of uncertainty for experiments performed at long wavelengths. Current software packages for MX typically employ empirical models to correct for the effects of absorption, with the corrections determined through the procedure of minimizing the differences in intensities between symmetry-equivalent reflections; these models are well suited to capturing smoothly varying experimental effects. However, for very long wavelengths, empirical methods become an unreliable approach to model strong absorption effects with high fidelity. This problem is particularly acute when data multiplicity is low. This paper presents an analytical absorption correction strategy (implemented in new software AnACor) based on a volumetric model of the sample derived from X-ray tomography. Individual path lengths through the different sample materials for all reflections are determined by a ray-tracing method. Several approaches for absorption corrections (spherical harmonics correction, analytical absorption correction and a combination of the two) are compared for two samples, the membrane protein OmpK36 GD, measured at a wavelength of λ = 3.54 Å, and chlorite dismutase, measured at λ = 4.13 Å. Data set statistics, the peak heights in the anomalous difference Fourier maps and the success of experimental phasing are used to compare the results from the different absorption correction approaches. The strategies using the new analytical absorption correction are shown to be superior to the standard spherical harmonics corrections. While the improvements are modest in the 3.54 Å data, the analytical absorption correction outperforms spherical harmonics in the longer-wavelength data (λ = 4.13 Å), which is also reflected in the reduced amount of data being required for successful experimental phasing. Full Article text
all Upgrade of crystallography beamline BL19U1 at the Shanghai Synchrotron Radiation Facility By journals.iucr.org Published On :: 2024-04-15 BL19U1, an energy-tunable protein complex crystallography beamline at the Shanghai Synchrotron Radiation Facility, has emerged as one of the most productive MX beamlines since opening to the public in July 2015. As of October 2023, it has contributed to over 2000 protein structures deposited in the Protein Data Bank (PDB), resulting in the publication of more than 1000 scientific papers. In response to increasing interest in structure-based drug design utilizing X-ray crystallography for fragment library screening, enhancements have been implemented in both hardware and data collection systems on the beamline to optimize efficiency. Hardware upgrades include the transition from MD2 to MD2S for the diffractometer, alongside the installation of a humidity controller featuring a rapid nozzle exchanger. This allows users to opt for either low-temperature or room-temperature data collection modes. The control system has been upgraded from Blu-Ice to MXCuBE3, which supports website-mode data collection, providing enhanced compatibility and easy expansion with new features. An automated data processing pipeline has also been developed to offer users real-time feedback on data quality. Full Article text
all Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO2 as a case study By journals.iucr.org Published On :: 2024-05-31 Controlling the shape and size dispersivity and crystallinity of nanoparticles (NPs) has been a challenge in identifying these parameters' role in the physical and chemical properties of NPs. The need for reliable quantitative tools for analyzing the dispersivity and crystallinity of NPs is a considerable problem in optimizing scalable synthesis routes capable of controlling NP properties. The most common tools are electron microscopy (EM) and X-ray scattering techniques. However, each technique has different susceptibility to these parameters, implying that more than one technique is necessary to characterize NP systems with maximum reliability. Wide-angle X-ray scattering (WAXS) is mandatory to access information on crystallinity. In contrast, EM or small-angle X-ray scattering (SAXS) is required to access information on whole NP sizes. EM provides average values on relatively small ensembles in contrast to the bulk values accessed by X-ray techniques. Besides the fact that the SAXS and WAXS techniques have different susceptibilities to size distributions, SAXS is easily affected by NP–NP interaction distances. Because of all the variables involved, there have yet to be proposed methodologies for cross-analyzing data from two techniques that can provide reliable quantitative results of dispersivity and crystallinity. In this work, a SAXS/WAXS-based methodology is proposed for simultaneously quantifying size distribution and degree of crystallinity of NPs. The most reliable easy-to-access size result for each technique is demonstrated by computer simulation. Strategies on how to compare these results and how to identify NP–NP interaction effects underneath the SAXS intensity curve are presented. Experimental results are shown for cubic-like CeO2 NPs. WAXS size results from two analytical procedures are compared, line-profile fitting of individual diffraction peaks in opposition to whole pattern fitting. The impact of shape dispersivity is also evaluated. Extension of the proposed methodology for cross-analyzing EM and WAXS data is possible. Full Article text
all TORO Indexer: a PyTorch-based indexing algorithm for kilohertz serial crystallography By journals.iucr.org Published On :: 2024-06-18 Serial crystallography (SX) involves combining observations from a very large number of diffraction patterns coming from crystals in random orientations. To compile a complete data set, these patterns must be indexed (i.e. their orientation determined), integrated and merged. Introduced here is TORO (Torch-powered robust optimization) Indexer, a robust and adaptable indexing algorithm developed using the PyTorch framework. TORO is capable of operating on graphics processing units (GPUs), central processing units (CPUs) and other hardware accelerators supported by PyTorch, ensuring compatibility with a wide variety of computational setups. In tests, TORO outpaces existing solutions, indexing thousands of frames per second when running on GPUs, which positions it as an attractive candidate to produce real-time indexing and user feedback. The algorithm streamlines some of the ideas introduced by previous indexers like DIALS real-space grid search [Gildea, Waterman, Parkhurst, Axford, Sutton, Stuart, Sauter, Evans & Winter (2014). Acta Cryst. D70, 2652–2666] and XGandalf [Gevorkov, Yefanov, Barty, White, Mariani, Brehm, Tolstikova, Grigat & Chapman (2019). Acta Cryst. A75, 694–704] and refines them using faster and principled robust optimization techniques which result in a concise code base consisting of less than 500 lines. On the basis of evaluations across four proteins, TORO consistently matches, and in certain instances outperforms, established algorithms such as XGandalf and MOSFLM [Powell (1999). Acta Cryst. D55, 1690–1695], occasionally amplifying the quality of the consolidated data while achieving superior indexing speed. The inherent modularity of TORO and the versatility of PyTorch code bases facilitate its deployment into a wide array of architectures, software platforms and bespoke applications, highlighting its prospective significance in SX. Full Article text
all MatchMaps: non-isomorphous difference maps for X-ray crystallography By journals.iucr.org Published On :: 2024-05-17 Conformational change mediates the biological functions of macromolecules. Crystallographic measurements can map these changes with extraordinary sensitivity as a function of mutations, ligands and time. A popular method for detecting structural differences between crystallographic data sets is the isomorphous difference map. These maps combine the phases of a chosen reference state with the observed changes in structure factor amplitudes to yield a map of changes in electron density. Such maps are much more sensitive to conformational change than structure refinement is, and are unbiased in the sense that observed differences do not depend on refinement of the perturbed state. However, even modest changes in unit-cell properties can render isomorphous difference maps useless. This is unnecessary. Described here is a generalized procedure for calculating observed difference maps that retains the high sensitivity to conformational change and avoids structure refinement of the perturbed state. This procedure is implemented in an open-source Python package, MatchMaps, that can be run in any software environment supporting PHENIX [Liebschner et al. (2019). Acta Cryst. D75, 861–877] and CCP4 [Agirre et al. (2023). Acta Cryst. D79, 449–461]. Worked examples show that MatchMaps `rescues' observed difference electron-density maps for poorly isomorphous crystals, corrects artifacts in nominally isomorphous difference maps, and extends to detecting differences across copies within the asymmetric unit or across altogether different crystal forms. Full Article text
all Determination of α lamellae orientation in a β-Ti alloy using electron backscatter diffraction By journals.iucr.org Published On :: 2024-06-27 The spatial orientation of α lamellae in a metastable β-Ti matrix of Timetal LCB (Ti–6.8 Mo–4.5 Fe–1.5 Al in wt%) was examined and the orientation of the hexagonal close-packed α lattice in the α lamella was determined. For this purpose, a combination of methods of small-angle X-ray scattering, scanning electron microscopy and electron backscatter diffraction was used. The habit planes of α laths are close to {111}β, which corresponds to (1320)α in the hexagonal coordinate system of the α phase. The longest α lamella direction lies approximately along one of the 〈110〉β directions which are parallel to the specific habit plane. Taking into account the average lattice parameters of the β and α phases in aged conditions in Timetal LCB, it was possible to index all main axes and faces of an α lath not only in the cubic coordinate system of the parent β phase but also in the hexagonal system of the α phase. Full Article text
all Quantitative selection of sample structures in small-angle scattering using Bayesian methods By journals.iucr.org Published On :: 2024-06-18 Small-angle scattering (SAS) is a key experimental technique for analyzing nanoscale structures in various materials. In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it generates a hypothesis of the structure of the experimental sample. Traditional model selection methods either rely on qualitative approaches or are prone to overfitting. This paper introduces an analytical method that applies Bayesian model selection to SAS measurement data, enabling a quantitative evaluation of the validity of mathematical models. The performance of the method is assessed through numerical experiments using artificial data for multicomponent spherical materials, demonstrating that this proposed analysis approach yields highly accurate and interpretable results. The ability of the method to analyze a range of mixing ratios and particle size ratios for mixed components is also discussed, along with its precision in model evaluation by the degree of fitting. The proposed method effectively facilitates quantitative analysis of nanoscale sample structures in SAS, which has traditionally been challenging, and is expected to contribute significantly to advancements in a wide range of fields. Full Article text
all X-ray tensor tomography for small-grained polycrystals with strong texture By journals.iucr.org Published On :: 2024-06-27 Small-angle X-ray tensor tomography and the related wide-angle X-ray tensor tomography are X-ray imaging techniques that tomographically reconstruct the anisotropic scattering density of extended samples. In previous studies, these methods have been used to image samples where the scattering density depends slowly on the direction of scattering, typically modeling the directionality, i.e. the texture, with a spherical harmonics expansion up until order ℓ = 8 or lower. This study investigates the performance of several established algorithms from small-angle X-ray tensor tomography on samples with a faster variation as a function of scattering direction and compares their expected and achieved performance. The various algorithms are tested using wide-angle scattering data from an as-drawn steel wire with known texture to establish the viability of the tensor tomography approach for such samples and to compare the performance of existing algorithms. Full Article text
all Operando pair distribution function analysis of nanocrystalline functional materials: the case of TiO2-bronze nanocrystals in Li-ion battery electrodes By journals.iucr.org Published On :: 2024-07-29 Structural modelling of operando pair distribution function (PDF) data of complex functional materials can be highly challenging. To aid the understanding of complex operando PDF data, this article demonstrates a toolbox for PDF analysis. The tools include denoising using principal component analysis together with the structureMining, similarityMapping and nmfMapping apps available through the online service `PDF in the cloud' (PDFitc, https://pdfitc.org/). The toolbox is used for both ex situ and operando PDF data for 3 nm TiO2-bronze nanocrystals, which function as the active electrode material in a Li-ion battery. The tools enable structural modelling of the ex situ and operando PDF data, revealing two pristine TiO2 phases (bronze and anatase) and two lithiated LixTiO2 phases (lithiated versions of bronze and anatase), and the phase evolution during galvanostatic cycling is characterized. Full Article text
all Flow-Xl: a new facility for the analysis of crystallization in flow systems By journals.iucr.org Published On :: 2024-08-19 Characterization of crystallization processes in situ is of great importance to furthering knowledge of how nucleation and growth processes direct the assembly of organic and inorganic materials in solution and, critically, understanding the influence that these processes have on the final physico-chemical properties of the resulting solid form. With careful specification and design, as demonstrated here, it is now possible to bring combined X-ray diffraction and Raman spectroscopy, coupled to a range of fully integrated segmented and continuous flow platforms, to the laboratory environment for in situ data acquisition for timescales of the order of seconds. The facility used here (Flow-Xl) houses a diffractometer with a micro-focus Cu Kα rotating anode X-ray source and a 2D hybrid photon-counting detector, together with a Raman spectrometer with 532 and 785 nm lasers. An overview of the diffractometer and spectrometer setup is given, and current sample environments for flow crystallization are described. Commissioning experiments highlight the sensitivity of the two instruments for time-resolved in situ data collection of samples in flow. Finally, an example case study to monitor the batch crystallization of sodium sulfate from aqueous solution, by tracking both the solute and solution phase species as a function of time, highlights the applicability of such measurements in determining the kinetics associated with crystallization processes. This work illustrates that the Flow-Xl facility provides high-resolution time-resolved in situ structural phase information through diffraction data together with molecular-scale solution data through spectroscopy, which allows crystallization mechanisms and their associated kinetics to be analysed in a laboratory setting. Full Article text
all Practical courses on advanced methods in macromolecular crystallization: 20 years of history and future perspectives By journals.iucr.org Published On :: 2024-08-30 The first Federation of European Biochemical Societies Advanced Course on macromolecular crystallization was launched in the Czech Republic in October 2004. Over the past two decades, the course has developed into a distinguished event, attracting students, early career postdoctoral researchers and lecturers. The course topics include protein purification, characterization and crystallization, covering the latest advances in the field of structural biology. The many hands-on practical exercises enable a close interaction between students and teachers and offer the opportunity for students to crystallize their own proteins. The course has a broad and lasting impact on the scientific community as participants return to their home laboratories and act as nuclei by communicating and implementing their newly acquired knowledge and skills. Full Article text
all Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization By journals.iucr.org Published On :: 2024-09-25 Energy-dispersive Laue diffraction (EDLD) is a powerful method to obtain position-resolved texture information in inhomogeneous biological samples without the need for sample rotation. This study employs EDLD texture scanning to investigate the impact of two salivary peptides, statherin (STN) and histatin-1 (HTN) 21 N-terminal peptides (STN21 and HTN21), on the crystallographic structure of dental enamel. These proteins are known to play crucial roles in dental caries progression. Three healthy incisors were randomly assigned to three groups: artificially demineralized, demineralized after HTN21 peptide pre-treatment and demineralized after STN21 peptide pre-treatment. To understand the micro-scale structure of the enamel, each specimen was scanned from the enamel surface to a depth of 250 µm using microbeam EDLD. Via the use of a white beam and a pixelated detector, where each pixel functions as a spectrometer, pole figures were obtained in a single exposure at each measurement point. The results revealed distinct orientations of hydroxyapatite crystallites and notable texture variation in the peptide-treated demineralized samples compared with the demineralized control. Specifically, the peptide-treated demineralized samples exhibited up to three orientation populations, in contrast to the demineralized control which displayed only a single orientation population. The texture index of the demineralized control (2.00 ± 0.21) was found to be lower than that of either the STN21 (2.32 ± 0.20) or the HTN21 (2.90 ± 0.46) treated samples. Hence, texture scanning with EDLD gives new insights into dental enamel crystallite orientation and links the present understanding of enamel demineralization to the underlying crystalline texture. For the first time, the feasibility of EDLD texture measurements for quantitative texture evaluation in demineralized dental enamel samples is demonstrated. Full Article text
all Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications By journals.iucr.org Published On :: 2024-09-17 X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclodextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0, which is available to download from https://12idb.xray.aps.anl.gov/solx.html. Full Article text
all The promise of GaAs 200 in small-angle neutron scattering for higher resolution By journals.iucr.org Published On :: 2024-08-27 The Q resolution in Bonse–Hart double-crystal diffractometers is determined for a given Bragg angle by the value of the crystallographic structure factor. To date, the reflections Si 220 or Si 111 have been used exclusively in neutron scattering, which provide resolutions for triple-bounce crystals of about 2 × 10−5 Å−1 (FWHM). The Darwin width of the GaAs 200 reflection is about a factor of 10 smaller, offering the possibility of a Q resolution of 2 × 10−6 Å−1 provided crystals of sufficient quality are available. This article reports a feasibility study with single-bounce GaAs 200, yielding a Q resolution of 4.6 × 10−6 Å−1, six times superior in comparison with a Si 220 setup. Full Article text
all Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS By journals.iucr.org Published On :: 2024-09-17 A procedure is presented to exactly obtain the apparent average crystallite size (ACS) of powder samples using standard in-house powder diffraction experiments without any restriction originating from the Scherrer equation. Additionally, the crystallite size distribution within the sample can be evaluated. To achieve this, powder diffractograms are background corrected and long-range radial distribution functions G(r) up to 300 nm are calculated from the diffraction data. The envelope function fenv of G(r) is approximated by a procedure determining the absolute maxima of G(r) in a certain interval (r range). Fitting of an ACS distribution envelope function to this approximation gives the ACS and its distribution. The method is tested on diffractograms of LaB6 standard reference materials measured with different wavelengths to demonstrate the validity of the approach and to clarify the influence of the wavelength used. The latter results in a general description of the maximum observable average crystallite size, which depends on the instrument and wavelength used. The crystallite site distribution is compared with particle size distributions based on transmission electron microscopy investigations, providing an approximation of the average number of crystallites per particle. Full Article text
all Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems By journals.iucr.org Published On :: 2024-08-27 Small-angle neutron scattering is a widely used technique to study large-scale structures in bulk samples. The largest accessible length scale in conventional Bragg scattering is determined by the combination of the longest available neutron wavelength and smallest resolvable scattering angle. A method is presented that circumvents this limitation and is able to extract larger length scales from the low-q power-law scattering using a modification of the well known Porod law connecting the scattered intensity of randomly distributed objects to their specific surface area. It is shown that in the special case of a highly aligned domain structure the specific surface area extracted from the modified Porod law can be used to determine specific length scales of the domain structure. The analysis method is applied to study the micrometre-sized domain structure found in the intermediate mixed state of the superconductor niobium. The analysis approach allows the range of accessible length scales to be extended from 1 µm to up to 40 µm using a conventional small-angle neutron scattering setup. Full Article text
all In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography By journals.iucr.org Published On :: 2024-09-25 Compared with batch and vapor diffusion methods, counter diffusion can generate larger and higher-quality protein crystals yielding improved diffraction data and higher-resolution structures. Typically, counter-diffusion experiments are conducted in elongated chambers, such as glass capillaries, and the crystals are either directly measured in the capillary or extracted and mounted at the X-ray beamline. Despite the advantages of counter-diffusion protein crystallization, there are few fixed-target devices that utilize counter diffusion for crystallization. In this article, different designs of user-friendly counter-diffusion chambers are presented which can be used to grow large protein crystals in a 2D polymer microfluidic fixed-target chip. Methods for rapid chip fabrication using commercially available thin-film materials such as Mylar, propylene and Kapton are also detailed. Rules of thumb are provided to tune the nucleation and crystal growth to meet users' needs while minimizing sample consumption. These designs provide a reliable approach to forming large crystals and maintaining their hydration for weeks and even months. This allows ample time to grow, select and preserve the best crystal batches before X-ray beam time. Importantly, the fixed-target microfluidic chip has a low background scatter and can be directly used at beamlines without any crystal handling, enabling crystal quality to be preserved. The approach is demonstrated with serial diffraction of photoactive yellow protein, yielding 1.32 Å resolution at room temperature. Fabrication of this standard microfluidic chip with commercially available thin films greatly simplifies fabrication and provides enhanced stability under vacuum. These advances will further broaden microfluidic fixed-target utilization by crystallographers. Full Article text
all Free tools for crystallographic symmetry handling and visualization By journals.iucr.org Published On :: 2024-09-20 Online courses and innovative teaching methods have triggered a trend in education, where the integration of multimedia, online resources and interactive tools is reshaping the view of both virtual and traditional classrooms. The use of interactive tools extends beyond the boundaries of the physical classroom, offering students the flexibility to access materials at their own speed and convenience and enhancing their learning experience. In the field of crystallography, there are a wide variety of free online resources such as web pages, interactive applets, databases and programs that can be implemented in fundamental crystallography courses for different academic levels and curricula. This paper discusses a variety of resources that can be helpful for crystallographic symmetry handling and visualization, discussing four specific resources in detail: the Bilbao Crystallographic Server, the Cambridge Structural Database, VESTA and Jmol. The utility of these resources is explained and shown by several illustrative examples. Full Article text
all Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server By journals.iucr.org Published On :: 2024-09-17 This article presents a web-based framework to build a database without in-depth programming knowledge given a set of CIF dictionaries and a collection of CIFs. The framework consists of two main elements: the public site that displays the information contained in the CIFs in an ordered manner, and the restricted administrative site which defines how that information is stored, processed and, eventually, displayed. Thus, the web application allows users to easily explore, filter and access the data, download the original CIFs, and visualize the structures via JSmol. The modulated structures open database B-IncStrDB, the official International Union of Crystallography repository for this type of material and available through the Bilbao Crystallographic Server, has been re-implemented following the proposed framework. Full Article text
all Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles By journals.iucr.org Published On :: 2024-09-25 Here, it is investigated how optical properties of single scatterers in interacting multi-particle systems influence measurable structure factors. Both particles with linear gradients of their scattering length density and core–shell structures evoke characteristic deviations between the weighted sum 〈S(Q)〉 of partial structure factors in a multi-component system and experimentally accessible measurable structure factors SM(Q). While 〈S(Q)〉 contains only the structural information of self-organizing systems, SM(Q) is additionally influenced by the optical properties of their constituents, resulting in features such as changing amplitudes, additional peaks in the low-wavevector region or splitting of higher-order maxima, which are not related to structural reasons. It is shown that these effects can be systematically categorized according to the qualitative behaviour of the form factor in the Guinier region, which enables assessing the suitability of experimentally obtained structure factors to genuinely represent the microstructure of complex systems free from any particular model assumption. Hence, a careful data analysis regarding size distribution and optical properties of single scatterers is mandatory to avoid a misinterpretation of measurable structure factors. Full Article text
all SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures By journals.iucr.org Published On :: 2024-10-01 SUBGROUPS is a free online program at the Bilbao Crystallographic Server (https://www.cryst.ehu.es/). It permits the exploration of all possible symmetries resulting from the distortion of a higher-symmetry parent structure, provided that the relation between the lattices of the distorted and parent structures is known. The program calculates all the subgroups of the parent space group which comply with this relation. The required minimal input is the space-group information of the parent structure and the relation of the unit cell of the distorted or pseudo-symmetric structure with that of the parent structure. Alternatively, the wavevector(s) observed in the diffraction data characterizing the distortion can be introduced. Additional conditions can be added, including filters related to space-group representations. The program provides very detailed information on all the subgroups, including group–subgroup hierarchy graphs. If a Crystallographic Information Framework (CIF) file of the parent high-symmetry structure is uploaded, the program generates CIF files of the parent structure described under each of the chosen lower symmetries. These CIF files may then be used as starting points for the refinement of the distorted structure under these possible symmetries. They can also be used for density functional theory calculations or for any other type of analysis. The power and efficiency of the program are illustrated with a few examples. Full Article text
all Pinhole small-angle neutron scattering based approach for desmearing slit ultra-small-angle neutron scattering data By journals.iucr.org Published On :: 2024-09-25 Presented here is an effective approach to desmearing slit ultra-small-angle neutron scattering (USANS) data, based on complementary small-angle neutron scattering (SANS) measurements, leading to a seamless merging of these data sets. The study focuses on the methodological aspects of desmearing USANS data, which can then be presented in the conventional manner of SANS, enabling a broader pool of data analysis methods. The key innovation lies in the use of smeared SANS data for extrapolating slit USANS, offering a self-consistent integrand function for desmearing with Lake's iterative method. The proposed approach is validated through experimental data on porous anodized aluminium oxide membranes, showcasing its applicability and benefits. The findings emphasize the importance of accurate desmearing for merging USANS and SANS data in the crossover q region, which is particularly crucial for complex scattering patterns. Full Article text
all VMXm – A sub-micron focus macromolecular crystallography beamline at Diamond Light Source By journals.iucr.org Published On :: 2024-10-30 VMXm joins the suite of operational macromolecular crystallography beamlines at Diamond Light Source. It has been designed to optimize rotation data collections from protein crystals less than 10 µm and down to below 1 µm in size. The beamline has a fully focused beam of 0.3 × 2.3 µm (vertical × horizontal) with a tuneable energy range (6–28 keV) and high flux (1.6 × 1012 photons s−1 at 12.5 keV). The crystals are housed within a vacuum chamber to minimize background scatter from air. Crystals are plunge-cooled on cryo-electron microscopy grids, allowing much of the liquid surrounding the crystals to be removed. These factors improve the signal-to-noise during data collection and the lifetime of the microcrystals can be prolonged by exploiting photoelectron escape. A novel in vacuo sample environment has been designed which also houses a scanning electron microscope to aid with sample visualization. This combination of features at VMXm allows measurements at the physical limits of X-ray crystallography on biomacromolecules to be explored and exploited. Full Article text
all X-ray ghost imaging with a specially developed beam splitter By journals.iucr.org Published On :: 2024-09-30 X-ray ghost imaging with a crystal beam splitter has advantages in highly efficient imaging due to the simultaneous acquisition of signals from both the object beam and reference beam. However, beam splitting with a large field of view, uniform distribution and high correlation has been a great challenge up to now. Therefore, a dedicated beam splitter has been developed by optimizing the optical layout of a synchrotron radiation beamline and the fabrication process of a Laue crystal. A large field of view, consistent size, uniform intensity distribution and high correlation were obtained simultaneously for the two split beams. Modulated by a piece of copper foam upstream of the splitter, a correlation of 92% between the speckle fields of the object and reference beam and a Glauber function of 1.25 were achieved. Taking advantage of synthetic aperture X-ray ghost imaging (SAXGI), a circuit board of size 880 × 330 pixels was successfully imaged with high fidelity. In addition, even though 16 measurements corresponding to a sampling rate of 1% in SAXGI were used for image reconstruction, the skeleton structure of the circuit board can still be determined. In conclusion, the specially developed beam splitter is applicable for the efficient implementation of X-ray ghost imaging. Full Article text
all Directors Guild finds TV diversity hiring stalled By www.scpr.org Published On :: Wed, 17 Sep 2014 12:38:26 -0700 In this Saturday, Sept. 6, 2014 file photo, Paris Barclay attends the LA Premiere Screening of "Sons Of Anarchy" at TCL Chinese Theatre, in Los Angeles. A new guild study says that women and minorities were largely shut out of the ranks of TV directors again last season. In a Wednesday, Sept. 17, 2014 statement, Directors Guild President Barclay said it can be "shockingly difficult" to persuade those who control industry hiring to make even small improvements.; Credit: Paul A. Hebert/Paul A. Hebert/Invision/AP A new guild study says women and minorities were largely shut out of the ranks of TV directors again last season. The Directors Guild of America report released Wednesday said employers have made no significant improvement in diversity hiring for TV series in the last four years. According to the study, white males directed the vast majority of the 3,500 cable, broadcast and high-budget online episodes made for the 2013-14 season. The same holds true for the three previous years, according to guild findings. In a statement, Directors Guild President Paris Barclay said it can be "shockingly difficult" to persuade those who control industry hiring to make even small improvements. Full Article
all X-Men franchise's Deadpool finally gets his own movie in 2016 By www.scpr.org Published On :: Thu, 18 Sep 2014 15:41:02 -0700 File: Stephen Yan dresses as Deadpool at Comic-Con on July 19, 2013 in San Diego.; Credit: Sandy Huffaker/Getty Images Hey, you! Yeah, you reading this! They're finally making a Deadpool movie! If you like fourth-wall breaking, second-person addresses like the above, you may be in the target audience for the long-in-development "Deadpool," which Twentieth Century Fox announced Thursday that it was finally moving ahead with, according to the Hollywood Reporter. The studio announced a Feb. 12, 2016 release date for the film with Tim Miller set to direct the character who's served as both friend and foe to the X-Men. The so-called "Merc with a Mouth" is a mercenary character created in the early '90s by artist Rob Liefeld, with Liefeld being an outspoken champion for the character. The character was part of the same Weapon X program that created Wolverine, with a similar healing factor power, but with a horribly scarred face he covers with a mask. He's also been played as crazy, which manifests itself as the character often knowing he's in a comic book and talking directly to the reader. Ryan Reynolds has long been tied to the project, including playing a version of the character in the much-hated "X-Men Origins: Wolverine," but no deal has been made yet, according to the Reporter. This follows footage leaking over the summer of a "Deadpool" test with Reynolds voicing the character in a CGI clip. Reynolds said in an interview in the Niagara Falls Review earlier this month that that it's unfortunate the footage leaked, "but who cares," because the positive response to the clip had helped push the film forward after being stuck in development hell. "The movie has been in a state of limbo for a while. There was such an overpowering reaction to the footage, you sort of feel like, 'Oh, so we weren't crazy for our reasons for loving this character, for loving this role.' It's interesting to see the power of the Internet. It's awe-inspiring, actually," Reynolds told the Review. "And it's neat that Twitter and Facebook and Instagram can move mountains when used in the right way." Watch the "Deadpool" test footage below (Warning: Contains some adult language): Deadpool test footage There'd also been debate about whether a movie would stay true to the character's outrageous attitude mixed with violence and go for an R rating, or whether it would go for a wider audience by staying at PG-13. Deadpool creator Liefeld has argued that the film would work just fine without restricting its audience with an R. Liefeld tweet 1 Liefeld tweet 2 Liefeld told the Daily Superhero in a previous interview that the footage for the test was filmed three years ago, using motion capture over footage of Reynolds. He also talked up Miller as a director, noting that he directed the pre-credits scene for "Thor: The Dark World." "Fox had released a relatively small budget for Tim to present his vision of the script written by Rhett Reese and Paul Wernick," Liefeld said. "The digital costume over Ryan Reynold's motion capture (Mo-Cap) performance was an approach they wanted to explore and they had a relatively small window to create this short so they opted to 'test' the look of a digital Deadpool costume over Ryan. I'm quite pleased at how it turned out, especially considering Baraka-Deadpool from Wolverine Origins." Liefeld was referring to the transformation of Deadpool in "X-Men Origins: Wolverine" to a mouthless, pointy-limbed character in the film, which many fans argued took away what they loved most about Deadpool: His sense of humor. Liefeld also said he'd seen even more impressive sequences than the one that made its way online. It's unclear whether this will tie in with the other X-Men films, but with the studio's recent attempt to tie together the "First Class" franchise with the older X-Men films in "Days of Future Past" and the character's long history of involvement with the X-Men and other related teams, it seems like a likely move. Full Article
all Co. Anticipates Lithium Rally, Looks at Acquiring New Canadian Assets By www.streetwisereports.com Published On :: Fri, 18 Oct 2024 00:00:00 PST Source: Streetwise Reports 10/18/2024 American Salars Lithium Inc. (USLI:CSE; USLIF:OTC; Z3P:FWB; A3E2NY:WKN) says it is strategically reviewing multiple Canadian mineral properties prospective for lithium. Prices for the metal important to the energy transition have fallen, but many analysts say they will recover.American Salars Lithium Inc. (USLI:CSE; USLIF:OTC; Z3P:FWB; A3E2NY:WKN) announced it is strategically reviewing multiple Canadian mineral properties prospective for lithium close to recent pegmatite, or hard-rock, lithium discoveries. The first project under review is about 150 kilometers north of Matagami, where there is a small town with a rail link to much of James Bay, and has the Billy Diamond Highway running through it. American Salars said it's close to Q2 Metals Corp. (QTWOTSX-V; OTCQB:QUEXF) Cisco Lithium Project, which reported drill intercepts of 215.6 meters at 1.69% Li2O, including 64.6 meters at 2.29%. Also nearby are multiple projects owned by Sayona Mining Ltd (SYA:ASX), which is currently Canada's only lithium producer. "Our primary objective remains the acquisition of low-cost lithium brine assets in Argentina while expanding our existing NI 43-101 lithium brine resources," said Chief Executive Officer and Director R. Nick Horsley. "We believe that Quebec-based hard rock lithium assets can now be acquired at deeply discounted prices and advanced with critical mineral flow through financing incentives in anticipation of the next lithium rally." American Salars said it is reviewing additional projects close to Sayona, which will be subject to disclosure "once due diligence is completed and a deal is completed." The company stressed that its "intent to acquire property and current strategic review does not necessarily mean that a transaction will occur." Current Assets Also in Argentina, Nevada The company's existing portfolio of lithium deposits includes two NI 43-101-compliant Inferred Mineral Resource Estimates (MREs) consisting of 457,000 tonnes of lithium carbonate equivalent (LCE) at the Candela 2 Lithium Brine Project and a shared MRE at the Pocitos 1 Lithium Brine Project consisting of 760,000 tonnes LCE. The Pocitos MRE is shared with the neighboring Pocitos 2 property, which is not under contract or owned by American Salars, but the company noted that none of the drilling that makes up a partial basis for the MRE took place on the Pocitos 2 block. Both brine projects are located in Salta Province, Argentina. Major mining company Rio Tino recently invested in Argentina by acquiring Argentina lithium producer Arcadium Lithium for US$6.7 billion, making the company the world's third-largest lithium producer. American Salars recently released assay results from soil samples collected during its Phase 1 exploration program at its 100%-owned Black Rock South lithium project close to Tesla's Gigafactory in Nevada. Technical Analyst Clive Maund wrote that the entire "San Emidio Desert basin is a highly prospective lithium exploration zone and is about 38 kilometers long and up to 11 kilometers wide at the widest point, with the central playa measuring about 8.5 kilometers north-south and 4.5 kilometers east-west." Out of 38 samples, 33 recorded lithium concentration of more than 100 parts per million (ppm) or higher, the company said. The highest grade was 180.5 ppm with an average grade of 131 ppm across the 33 samples of the surface of the property. Technical Analyst Clive Maund wrote that the entire "San Emidio Desert basin is a highly prospective lithium exploration zone and is about 38 kilometers long and up to 11 kilometers wide at the widest point, with the central playa measuring about 8.5 kilometers north-south and 4.5 kilometers east-west."* "After a massive speculative runup in 2020 and especially in 2021, the lithium price fell victim to a severe bear market that ran from mid-2022 through the end of 2023," Maund continued. "By the end of last year, this bear market had exhausted itself, and a basing process began that has continued up to the present." In addition to its location near the Gigafactory, Black Rock South is 93 miles southwest of Thacker and 215 miles northwest of the United States' only producing lithium mine, the Silver Peak lithium brine mine owned by Albermarle. The Catalyst: More Growth Coming Lithium is critical in the energy transition for its use in batteries for EVs and other applications. It also is used in electronics, medicine and other industries. According to a report by Grand View Research, market size for the metal was estimated at US$31.75 billion last year and is projected to grow at a compound annual growth rate (CAGR) of 17.7% from this year through 2030. "The automotive application segment is expected to witness substantial growth, driven by stringent regulations imposed by government bodies on ICE automakers to reduce carbon dioxide emissions from vehicles," researchers at Grand View said. "This has shifted the interest of automakers toward producing EVs, which is anticipated to benefit the demand for lithium and related products." EVs and battery storage primarily will fuel future growth of the lithium market, Marin Katusa of Katusa Research wrote recently. He pointed out that all major electric vehicle batteries require lithium, about 1.55 pounds per kilowatt hour of battery capacity, on average. "I think the data speaks for itself that there's more growth and opportunity on the horizon," Katusa wrote. According to FastMarkets, prices for the metal have fallen over the past 18 months as weaker demand improved availability. However, this "has done little to deter the appetite for expansion," raw battery materials analyst Jordan Roberts told the publication.[OWNERSHIP_CHART-11095] The consensus among market analysts points to a recovery in lithium prices in the fourth quarter of 2024, Fastmarkets reported. "This optimism is grounded in expectations of increased activity . . . to meet end of year targets, strong battery production seen in March and April finally filtering through upstream and low inventory levels necessitating restocking," the website noted. Ownership and Share Structure American Salars said it has 28.8 million shares outstanding and 5.5 million warrants, according to the company. As for insiders, the CEO Horsley owns about 1.83 million, or about 7.37%, with 4666,666 warrants. Strategic investor Hillcrest Merchant Partners owns 1 million shares or 4.03%. There are no institutional investors, and the rest is retail. Its market cap is CA$4.79 million. It trades in a 52-week range of CA$0.45 and CA$0.08. Sign up for our FREE newsletter at: www.streetwisereports.com/get-newsImportant Disclosures: American Salars Lithium Inc. has a consulting relationship with Street Smart an affiliate of Streetwise Reports. Street Smart Clients pay a monthly consulting fee between US$8,000 and US$20,000. As of the date of this article, officers and/or employees of Streetwise Reports LLC (including members of their household) own securities of American Salars Lithium Inc. Steve Sobek wrote this article for Streetwise Reports LLC and provides services to Streetwise Reports as an employee. This article does not constitute investment advice and is not a solicitation for any investment. Streetwise Reports does not render general or specific investment advice and the information on Streetwise Reports should not be considered a recommendation to buy or sell any security. Each reader is encouraged to consult with his or her personal financial adviser and perform their own comprehensive investment research. By opening this page, each reader accepts and agrees to Streetwise Reports' terms of use and full legal disclaimer. Streetwise Reports does not endorse or recommend the business, products, services or securities of any company. For additional disclosures, please click here. * Disclosure for the quote from the Clive Maund source June 17, 2024 For the quote (sourced on June 17, 2024), the Company has paid Street Smart, an affiliate of Streetwise Reports, US$1,500. Author Certification and Compensation: [Clive Maund of clivemaund.com] is being compensated as an independent contractor by Street Smart, an affiliate of Streetwise Reports, for writing the article quoted. Maund received his UK Technical Analysts’ Diploma in 1989. The recommendations and opinions expressed in the article accurately reflect the personal, independent, and objective views of the author regarding any and all of the designated securities discussed. No part of the compensation received by the author was, is, or will be directly or indirectly related to the specific recommendations or views expressed. Clivemaund.com Disclosures The quoted article represents the opinion and analysis of Mr. Maund, based on data available to him, at the time of writing. Mr. Maund's opinions are his own, and are not a recommendation or an offer to buy or sell securities. As trading and investing in any financial markets may involve serious risk of loss, Mr. Maund recommends that you consult with a qualified investment advisor, one licensed by appropriate regulatory agencies in your legal jurisdiction and do your own due diligence and research when making any kind of a transaction with financial ramifications. Although a qualified and experienced stock market analyst, Clive Maund is not a Registered Securities Advisor. Therefore Mr. Maund's opinions on the market and stocks cannot be only be construed as a recommendation or solicitation to buy and sell securities. ( Companies Mentioned: USLI:CSE; USLIF:OTC; Z3P:FWB; A3E2NY:WKN, ) Full Article
all New Operational Permit Paves Way for Key Lithium Project in Brazil's "Lithium Valley" By www.streetwisereports.com Published On :: Mon, 28 Oct 2024 00:00:00 PST Source: Streetwise Reports 10/28/2024 Atlas Lithium Corp. (ATLX:NASDAQ) announced that it has received the operational permit for its Neves Project. Read what this permit, unanimously approved by Minas Gerais government in Brazil, allows Atlas to do.Atlas Lithium Corp. (ATLX:NASDAQ) announced that it has received the operational permit for its Neves Project. This marks a significant milestone for the company's ambitions in lithium production. The permit, approved by the Minas Gerais government in Brazil, allows Atlas Lithium to assemble and operate its processing plant, develop open-pit mining operations, and produce lithium concentrate. The unanimously voted October 25 decision officially progressed with the publication in Minas Gerais' government gazette the following day. The Neves Project permit, a comprehensive triphasic license (LI/LP/LO), enables a more streamlined development, encompassing initial, installation, and operating permissions. "Permitting is widely considered the most critical risk in any mining project," said Atlas Lithium CEO Marc Fogassa in the news release. The company's success in obtaining this permit underscores its commitment to sustainable, responsible operations in Brazil's "Lithium Valley." The Allure of The Lithium Market According to Visual Capitalist on September 29, battery metal prices have recently "struggled as a surge in new production overwhelmed demand." However, with battery demand projected to increase ninefold by 2040, companies positioned to produce high-quality lithium concentrate, such as Atlas Lithium, are likely to see enhanced market relevance as the demand trajectory for lithium-ion batteries strengthens significantly over the coming decades. Jake Sekelsky from Alliance Global Partners reaffirmed his "Buy" rating for Atlas Lithium, setting a price target of US$45.00. As Forbes wrote on October 8, 2024, recent industry dynamics have shown that "a 50% rise in the price of a downtrodden lithium producer has boosted investor hopes that a revival in the battery metal is possible after two grim years of oversupply and low prices." This improvement in lithium prices reflects a broader trend that may positively impact companies like Atlas Lithium, whose operational progress aligns with the gradual sector recovery. The recent permitting for Atlas Lithium's Neves Project positions it to capitalize on these trends as it advances its lithium production capabilities. On that same day, Barry Dawes of Martin Place Securities commented that "the lithium market is showing strong signs of upturn," anticipating "lithium shortages post-2027." This outlook emphasizes the sector's potential for heightened demand and supply constraints, which is particularly beneficial for projects advancing toward production. Atlas Lithium's strategy, which includes a modular processing plant and environmentally responsible operations, underscores the company's readiness to meet this anticipated demand. What's Driving Atlas Forward? Atlas Lithium's Neves Project's recent permit positions the company to advance toward its production goals with key environmental and operational clearances in place. According to the company's September 2024 investor presentation, this approval aligns with an expedited project timeline and enhances the company's potential to become a low-cost lithium concentrate producer. With Brazil's favorable mining conditions and Atlas Lithium's established partnerships with Tier 1 global companies, the Neves Project is poised for cost-effective operations and market alignment. Atlas's modular processing plant, currently in the final pre-shipment stage, also demonstrates a strategic focus on efficiency and ESG standards. This advanced plant is set for rapid assembly and installation. It reflects Atlas Lithium's intention to minimize environmental impact and expedite production ramp-up, contributing to a streamlined path toward production in Brazil's burgeoning lithium sector. Analysts On Atlas Jake Sekelsky from Alliance Global Partners reaffirmed his "Buy" rating for Atlas Lithium, setting a price target of US$45.00. He described the recent operational permit issuance for the Neves Project as a "significant de-risking event," emphasizing that this milestone positions the project to move forward with construction and operations. Sekelsky highlighted that the approval "marks the final step in the permitting process" and grants Atlas Lithium the authorization to proceed with assembling its processing facility and initiating open-pit mining operations. This development aligns with a clear production path, with Sekelsky noting that the project is now at "shovel-ready status," a critical advancement toward fulfilling Atlas Lithium's strategic objectives. [OWNERSHIP_CHART-11040] Sekelsky also pointed to the current market environment for lithium, expressing optimism regarding "signs of an upcoming recovery" in lithium prices. He interpreted recent merger and acquisition activities within the sector, including other acquisitions in Brazil's Lithium Valley, as indicators that larger players anticipate a rebound. Sekelsky remarked that this resurgence could benefit advanced hard-rock lithium projects, such as Neves, which "continue to command attention from potential suitors." Ownership and Share Structure About 34% of Atlas Lithium is owned by management and insiders. About 11% of the shareholders are institutional. Strategic partners hold another 12%. The rest, about 43%, is retail. Top shareholders include Waratah Capital Advisors Ltd. with 4.34%, Mitsui & Co. Ltd. with 12.27%, and Candace Shira Associates LLC with 1.39%, according to Reuters. Its market cap is about US$165 million. It trades in a 52-week range of US$34 and US$6.25. Sign up for our FREE newsletter at: www.streetwisereports.com/get-newsImportant Disclosures:1) James Guttman wrote this article for Streetwise Reports LLC and provides services to Streetwise Reports as an employee. 2) This article does not constitute investment advice and is not a solicitation for any investment. Streetwise Reports does not render general or specific investment advice and the information on Streetwise Reports should not be considered a recommendation to buy or sell any security. Each reader is encouraged to consult with his or her personal financial adviser and perform their own comprehensive investment research. By opening this page, each reader accepts and agrees to Streetwise Reports' terms of use and full legal disclaimer. Streetwise Reports does not endorse or recommend the business, products, services or securities of any company. For additional disclosures, please click here. ( Companies Mentioned: ATLX:NASDAQ, ) Full Article
all George Takei on how he took his internment camp musical, 'Allegiance,' to Broadway By www.scpr.org Published On :: Fri, 16 Feb 2018 12:53:00 -0800 Brad and George Takei, the new typical American married couple.; Credit: John Rabe/Grant Wood/Michael Uhlenkott John Rabe | Off-Ramp®UPDATE: “Allegiance” will be performed Feb. 21-April 1, 2018, at the Aratani Theater at the Japanese Cultural and Community Center in downtown L.A.'s Little Tokyo. ORIGINAL STORY: In an intimate interview, George Takei tells Off-Ramp host John Rabe about crafting the Japanese-American internment camp history into compelling Broadway musical theater. "Allegiance," with Takei, Lea Salonga and Telly Leung, played at the Longacre Theater. George Takei and his husband Brad were putting their house in mothballs when I arrived for our interview in August. They'd already been spending a lot of time in New York because of George's recurring role on "The Howard Stern Show," but now, with the Broadway opening of "Allegiance" just a couple months away, they were preparing to move for as long as the musical brings in the crowds. While Brad went off to deal with the mundane domestic tasks around the move, I sat with George in their living room to talk about turning one of America's most shameful episodes — the internment of some 120,000 loyal Japanese-Americans during World War II — into a musical that could make it on the Broadway stage. George, you just sent an email to your fans with the subject line: "I've Waited 7 Years to Send You this Email. Seven years!" Inside, you wrote: "Few things are as difficult and complex as taking a show to Broadway. It's both thrilling and terrifying." What was terrifying? "The terrifying part is, you've poured your passion, your energy, your resources ... you make all that investment in that project, and then you're hoping the seats are going to be filled.That 'what if' is terrifying. But in San Diego, we had a sold-out run and broke their 77-year record. But now we're going to Broadway, and that same fear is there. Will they come? What will the critics say? Because it's life or death." It took a long time just to get a Broadway theater. "It took a long time to get a theater.You think there are a lot of Broadway theaters, but there are even more productions that want those chunks of New York real estate. So we thought we'd get in line. But then the other discovery we made is that the theater owners have relationships with grizzled old producers who have brought them a vast fortune with enormous hits, and they can cut in line. They have a track record. And so, 'will we ever get a theater' became a big question. But we have this time now — let's use it creatively, productively." So, Takei says, the team tweaked the show, removing parts that didn't work didn't advance the story, inserting numbers that worked better and kept the story moving. They doubled down on social media, building and proving demand in the show. "We have a Shubert theater (the Longacre), and Bob Wankel is head guy there, and I remember pouring my heart out, telling the story of my parents, hoping that touches. And he was understanding, but I understood his problem, too. Everybody is trying to get a theater and he has to make a good business decision and was initially skeptical. An internment camp musical? But music has the power to make an anguished painful situation even more moving, even more powerful. It hits you in the heart." Highlights from "Allegiance" at the Old Globe in San Diego This is your Broadway debut, right? Are you petrified? "Yes, yes. I've done a lot of stage work, and I've done a lot of public speaking, but it's Broadway, and I'm a debutante... at 78 years old! And it's the critics, too. The New York Times, Ben Brantley. That's who I'm going to be facing, and so it's both exciting and absolutely filling me with ecstasy, but what makes it ecstatic is the fear." For much more of our interview with George Takei, listen to the audio by clicking the arrow in the player at the top of the page ... and hear George Takei and John Rabe's duet of "Tiny Bubbles." This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all Thunes unlocks global mobile wallet payments via Swift By thepaypers.com Published On :: Mon, 21 Oct 2024 14:43:00 +0100 Thunes has announced that its proprietary Direct Global Network... Full Article
all Mastercard expands installments, unlocking flexible payment options By thepaypers.com Published On :: Mon, 28 Oct 2024 09:37:00 +0100 Mastercard has expanded its US... Full Article
all Mambu and Kuady launch digital wallet in Latin America By thepaypers.com Published On :: Wed, 30 Oct 2024 08:03:00 +0100 Cloud banking provider Mambu has partnered with Full Article
all Gay And Bisexual Men Are Now Allowed To Donate Blood In England, Scotland And Wales By www.scpr.org Published On :: Wed, 16 Jun 2021 02:20:11 -0700 Gay and bisexual men in England, Scotland, and Wales can now donate blood, plasma and platelets under certain circumstances without having to wait three months, the National Health Service announced this week.; Credit: Wilfredo Lee/AP Jaclyn Diaz | NPRGay and bisexual men in England, Scotland, and Wales can now donate blood, plasma and platelets under certain circumstances, the National Health Service announced this week in a momentous shift in policy for most of the U.K. Beginning Monday, gay men in sexually active, monogamous relationships for at least three months can donate for the first time. The move reverses a policy that limited donor eligibility on perceived risks of contracting HIV/AIDs and other sexually transmitted infections. The new rules come as the U.K. and other countries around the world report urgent, pandemic-induced blood supply issues. Donor eligibility will now be based on each person's individual circumstances surrounding health, travel and sexual behaviors regardless of gender, according to the NHS. Potential donors will no longer be asked if they are a man who has had sex with another man, but they will be asked about recent sexual activity. Anyone who has had the same sexual partner for the last three months can donate, the NHS said. "Patient safety is at the heart of everything we do. This change is about switching around how we assess the risk of exposure to a sexual infection, so it is more tailored to the individual," said Ella Poppitt, Chief Nurse for blood donation at NHS Blood and Transplant, in a statement. "We screen all donations for evidence of significant infections, which goes hand-in-hand with donor selection to maintain the safety of blood sent to hospitals." People who engage in anal sex with a new partner or multiple people or who have recently used PrEP or PEP (medication used to prevent HIV infection) will have to wait three months to donate - regardless of their gender. Why did the U.K. make this change? The NHS moved to alter its blood donation eligibility rules following a review by the FAIR (For the Assessment of Individualised Risk) steering group. The panel determined an individualized, gender-neutral approach to determining who can donate blood, platelets, and plasma is fairer and still maintains the safety of the U.K.'s blood supply. The findings were accepted in full by the government last December. Researchers will continue to monitor the impact of the donor selection changes for the next 12 months to determine if more changes are needed, NHS said. What is the policy in the U.S.? Despite efforts by advocates to change regulations in the U.S, the ability for gay and bisexual men to donate blood is still restricted. A ban on gay and bisexual blood donors has been in effect since the early 1980s when fears about HIV/AIDS were widespread. The Food and Drug Administration's current policy states a man who has sex with another man in the previous three months can't donate. Federal rules previously made such donors wait 12 months before giving blood, but due to low blood supplies during the pandemic the federal government changed the policy in April. The Red Cross said they are participating in a pilot study funded by the FDA using behavior-based health history questionnaires, similar to those used in the U.K. Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all COVID-19 AMA: J&J Says Its Vaccine Is Effective Against Delta Variant, WHO Says All Authorized Vaccines Should Be Recognized By The West And More By www.scpr.org Published On :: Fri, 02 Jul 2021 09:23:15 -0700 Detail of boxes with the U.S. donated Johnson & Johnson vaccine against Covid-19 at Universidad de Baja California on June 17, 2021 in Tijuana, Baja California. ; Credit: Francisco Vega/Getty Images James Chow | AirTalkIn our continuing series looking at the latest medical research and news on COVID-19, Larry Mantle speaks with Dr. Annabelle De St. Maurice from University of California Los Angeles/Mattel Children’s hospital. Topics today include: J&J says its vaccine is effective against Delta variant J&J vaccine lasts at least 8 months WHO says all vaccines it authorized should be recognized by reopening countries White House says it will miss July 4 vaccination goal Postpartum depression on the rise during the pandemic Experts believe Novavax may play a role in combating vaccine hesitancy Delta variant is not driving a surge in hospitalization rates in England Guest: Annabelle De St. Maurice, M.D., assistant professor of pediatrics in the division of infectious diseases and the co-chief infection prevention officer at University of California Los Angeles/Mattel Children’s hospital; she tweets @destmauricemd This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all With Newsom Recall Election Date Set, We Check In On The Challengers By www.scpr.org Published On :: Fri, 02 Jul 2021 09:27:55 -0700 California Gov. Gavin Newsom looks on during a news conference after he toured the newly reopened Ruby Bridges Elementary School on March 16, 2021 in Alameda, California. ; Credit: Justin Sullivan/Getty Images AirTalkCalifornia on Thursday scheduled a Sept. 14 recall election that could drive Democratic Gov. Gavin Newsom from office, the result of a political uprising largely driven by angst over state coronavirus orders that shuttered schools and businesses and upended life for millions of Californians. The election in the nation’s most populous state will be a marquee contest with national implications, watched closely as a barometer of the public mood heading toward the 2022 elections, when a closely divided Congress again will be in play. We’ll get the latest. With files from the Associated Press Guests: Katie Orr, government and politics reporter for KQED; she tweets @1KatieOrr Lara Korte, California politics reporter at the Sacramento Bee; she tweets @lara_korte This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all New Book Details Full History Of Black Baseball Players’ Fight For Integration By www.scpr.org Published On :: Tue, 06 Jul 2021 09:06:25 -0700 Copy of the book “Beyond Baseball’s Color Barrier: The Story of African Americans in Major League Baseball, Past, Present, and Future” (Rowman & Littlefield, May 2021) AirTalkMost of us are familiar with the story of Jackie Robinson, the first Black player to play baseball in the Major Leagues, and while Jackie’s story is arguably the biggest chapter in the story of how baseball was integrated, there’s plenty more to the story that happened both before and after Jackie broke into the Majors. Author, sports historian and Santa Barbara City College Director of Athletics Rocco Constantino dives into this rich history in his new book “Beyond Baseball’s Color Barrier: The Story of African Americans in Major League Baseball, Past, Present, and Future” where he explores the contributions of major figures like Hank Aaron, Willie Mays and Satchel Paige as well as the lesser known ones of players like Vida Blue, Mudcat Grant and Dwight Gooden. Today on AirTalk, Constantino joins Larry Mantle to explore the history of Black players in baseball, their fight for recognition and integration into the Major Leagues and the issues of race that persisted well beyond Jackie Robinson breaking baseball’s color barrier. Guest: Rocco Constantino, author of “Beyond Baseball’s Color Barrier: The Story of African Americans in Major League Baseball, Past, Present, and Future” (Rowman & Littlefield, May 2021); he is a sports historian and the director of athletics at Santa Barbara City College This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all The Challenges In Enforcing Use Of Illegal Fireworks In SoCal By www.scpr.org Published On :: Tue, 06 Jul 2021 09:43:15 -0700 A fireworks stand, one of about 25 booths that are open for business, advertises on the first day of fireworks sales for Fourth of July celebrations June 28, 2005 in Fillmore, California.; Credit: David McNew/Getty Images AirTalkEvery year in the days leading up to Independence Day, we’re flooded with public service announcements warning of the dangers and risks associated with fireworks. In LA County, where most fireworks are illegal, it can be even more dangerous as the area’s risk of fire grows. Today on AirTalk, we discuss the challenges in enforcing and responding to the use of illegal fireworks and the growing risks. We also want to hear from listeners. What was your Fourth of July experience like this year with fireworks? Do you think more needs to be done to crack down? Join the conversation by calling 866-893-5722. We reached out to the Los Angeles Police Department, but the department was not able to accommodate our interview request and says updated data is unavailable at this time. Guest: Mike Feuer, Los Angeles city attorney; he tweets @Mike_Feuer This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
all Trick or Treat? Astrogeology explores the Solar System’s Halloween spirit. By www.usgs.gov Published On :: Wed, 30 Oct 2024 21:49:34 EDT The Solar System is full of its own tricks and treats, so discover some of our favorites below. Full Article
all Marine Mineral Formations in the Arctic Ocean Challenge Existing Geologic Theories By www.usgs.gov Published On :: Tue, 12 Nov 2024 14:02:54 EST A new study from USGS describes a previously unknown process of marine mineral formation in the Arctic Ocean, driven by frictional heating along tectonic faults rather than by hydrothermal activity. Full Article
all Shallow Discoveries and New Targets at Leviathan Copper System in Idaho By www.streetwisereports.com Published On :: Tue, 05 Nov 2024 00:00:00 PST Hercules Metals Corp. (BADEF:OTCMKTS; BIG:TSXV) has announced advancements in its exploration efforts at the western Idaho Leviathan porphyry copper system. Read more about the significant shallow mineralization discoveries and new target areas that could indicate further resource potential. Full Article
all Top 5 Compliance Challenges Keeping IT Directors Awake At Night By www.itsecurity.com Published On :: Wed, 11 Nov 2009 23:26:19 +0000 On-Demand Webinar > Watch Now! SPONSORED BY: TripwireWatch this FREE on-demand webinar to learn how to overcome the top 5 compliance challenges keeping IT directors awake at night! Watch Now! Overc... Full Article