tim Modelling the power threshold and optimum thermal deformation of indirectly liquid-nitrogen cryo-cooled Si monochromators By journals.iucr.org Published On :: 2024-04-09 Maximizing the performance of crystal monochromators is a key aspect in the design of beamline optics for diffraction-limited synchrotron sources. Temperature and deformation of cryo-cooled crystals, illuminated by high-power beams of X-rays, can be estimated with a purely analytical model. The analysis is based on the thermal properties of cryo-cooled silicon crystals and the cooling geometry. Deformation amplitudes can be obtained, quickly and reliably. In this article the concept of threshold power conditions is introduced and defined analytically. The contribution of parameters such as liquid-nitrogen cooling efficiency, thermal contact conductance and interface contact area of the crystal with the cooling base is evaluated. The optimal crystal illumination and the base temperature are inferred, which help minimize the optics deformation. The model has been examined using finite-element analysis studies performed for several beamlines of the Diamond-II upgrade. Full Article text
tim Infrared spectroscopy across scales in length and time at BESSY II By journals.iucr.org Published On :: 2024-04-23 The infrared beamline at BESSY II storage ring was upgraded recently to extend the capabilities of infrared microscopy. The endstations available at the beamline are now facilitating improved characterization of molecules and materials at different length scales and time resolutions. Here, the current outline of the beamline is reported and an overview of the endstations available is given. In particular, the first results obtained by using a new microscope for nano-spectroscopy that was implemented are presented. The capabilities of the scattering-type near-field optical microscope (s-SNOM) are demonstrated by investigating cellulose microfibrils, representing nanoscopic objects of a hierarchical structure. It is shown that the s-SNOM coupled to the beamline allows imaging to be performed with a spatial resolution of less than 30 nm and infrared spectra to be collected from an effective volume of less than 30 nm × 30 nm × 12 nm. Potential steps for further optimization of the beamline performance are discussed. Full Article text
tim Nonlinear optimization for a low-emittance storage ring By journals.iucr.org Published On :: 2024-06-25 A multi-objective genetic algorithm (MOGA) is a powerful global optimization tool, but its results are considerably affected by the crossover parameter ηc. Finding an appropriate ηc demands too much computing time because MOGA needs be run several times in order to find a good ηc. In this paper, a self-adaptive crossover parameter is introduced in a strategy to adopt a new ηc for every generation while running MOGA. This new scheme has also been adopted for a multi-generation Gaussian process optimization (MGGPO) when producing trial solutions. Compared with the existing MGGPO and MOGA, the MGGPO and MOGA with the new strategy show better performance in nonlinear optimization for the design of low-emittance storage rings. Full Article text
tim TEMPUS, a Timepix4-based system for the event-based detection of X-rays By journals.iucr.org Published On :: 2024-07-23 TEMPUS is a new detector system being developed for photon science. It is based on the Timepix4 chip and, thus, it can be operated in two distinct modes: a photon-counting mode, which allows for conventional full-frame readout at rates up to 40 kfps; and an event-driven time-stamping mode, which allows excellent time resolution in the nanosecond regime in measurements with moderate X-ray flux. In this paper, the initial prototype, a single-chip device, is introduced, and the readout system described. Moreover, and in order to evaluate its capabilities, some tests were performed at PETRA III and ESRF for which results are also presented. Full Article text
tim New opportunities for time-resolved imaging using diffraction-limited storage rings By journals.iucr.org Published On :: 2024-07-30 The advent of diffraction-limited storage rings (DLSRs) has boosted the brilliance or coherent flux by one to two orders of magnitude with respect to the previous generation. One consequence of this brilliance enhancement is an increase in the flux density or number of photons per unit of area and time, which opens new possibilities for the spatiotemporal resolution of X-ray imaging techniques. This paper studies the time-resolved microscopy capabilities of such facilities by benchmarking the ForMAX beamline at the MAX IV storage ring. It is demonstrated that this enhanced flux density using a single harmonic of the source allows micrometre-resolution time-resolved imaging at 2000 tomograms per second and 1.1 MHz 2D acquisition rates using the full dynamic range of the detector system. Full Article text
tim Development and performance simulations of a soft X-ray and XUV split-and-delay unit at beamlines FL23/24 at FLASH2 for time-resolved two-color pump–probe experiments By journals.iucr.org Published On :: 2024-08-05 The split-and-delay unit (SDU) at FLASH2 will be upgraded to enable the simultaneous operation of two temporally, spatially and spectrally separated probe beams when the free-electron laser undulators are operated in a two-color scheme. By means of suitable thin filters and an optical grating beam path a wide range of combinations of photon energies in the spectral range from 150 eV to 780 eV can be chosen. In this paper, simulations of the spectral transmission and performance parameters of the filter technique are discussed, along with a monochromator with dispersion compensation presently under construction. Full Article text
tim The TR-icOS setup at the ESRF: time-resolved microsecond UV–Vis absorption spectroscopy on protein crystals By journals.iucr.org Published On :: 2024-01-01 The technique of time-resolved macromolecular crystallography (TR-MX) has recently been rejuvenated at synchrotrons, resulting in the design of dedicated beamlines. Using pump–probe schemes, this should make the mechanistic study of photoactive proteins and other suitable systems possible with time resolutions down to microseconds. In order to identify relevant time delays, time-resolved spectroscopic experiments directly performed on protein crystals are often desirable. To this end, an instrument has been built at the icOS Lab (in crystallo Optical Spectroscopy Laboratory) at the European Synchrotron Radiation Facility using reflective focusing objectives with a tuneable nanosecond laser as a pump and a microsecond xenon flash lamp as a probe, called the TR-icOS (time-resolved icOS) setup. Using this instrument, pump–probe spectra can rapidly be recorded from single crystals with time delays ranging from a few microseconds to seconds and beyond. This can be repeated at various laser pulse energies to track the potential presence of artefacts arising from two-photon absorption, which amounts to a power titration of a photoreaction. This approach has been applied to monitor the rise and decay of the M state in the photocycle of crystallized bacteriorhodopsin and showed that the photocycle is increasingly altered with laser pulses of peak fluence greater than 100 mJ cm−2, providing experimental laser and delay parameters for a successful TR-MX experiment. Full Article text
tim From femtoseconds to minutes: time-resolved macromolecular crystallography at XFELs and synchrotrons By journals.iucr.org Published On :: 2024-01-24 Over the last decade, the development of time-resolved serial crystallography (TR-SX) at X-ray free-electron lasers (XFELs) and synchrotrons has allowed researchers to study phenomena occurring in proteins on the femtosecond-to-minute timescale, taking advantage of many technical and methodological breakthroughs. Protein crystals of various sizes are presented to the X-ray beam in either a static or a moving medium. Photoactive proteins were naturally the initial systems to be studied in TR-SX experiments using pump–probe schemes, where the pump is a pulse of visible light. Other reaction initiations through small-molecule diffusion are gaining momentum. Here, selected examples of XFEL and synchrotron time-resolved crystallography studies will be used to highlight the specificities of the various instruments and methods with respect to time resolution, and are compared with cryo-trapping studies. Full Article text
tim C-SPAM: an open-source time-resolved specimen vitrification device with light-activated molecules By journals.iucr.org Published On :: 2023-12-14 Molecular structures can be determined in vitro and in situ with cryo-electron microscopy (cryo-EM). Specimen preparation is a major obstacle in cryo-EM. Typical sample preparation is orders of magnitude slower than biological processes. Time-resolved cryo-EM (TR-cryo-EM) can capture short-lived states. Here, Cryo-EM sample preparation with light-activated molecules (C-SPAM) is presented, an open-source, photochemistry-coupled device for TR-cryo-EM that enables millisecond resolution and tunable timescales across broad biological applications. Full Article text
tim Droplet microfluidics for time-resolved serial crystallography By journals.iucr.org Published On :: 2024-03-01 Serial crystallography requires large numbers of microcrystals and robust strategies to rapidly apply substrates to initiate reactions in time-resolved studies. Here, we report the use of droplet miniaturization for the controlled production of uniform crystals, providing an avenue for controlled substrate addition and synchronous reaction initiation. The approach was evaluated using two enzymatic systems, yielding 3 µm crystals of lysozyme and 2 µm crystals of Pdx1, an Arabidopsis enzyme involved in vitamin B6 biosynthesis. A seeding strategy was used to overcome the improbability of Pdx1 nucleation occurring with diminishing droplet volumes. Convection within droplets was exploited for rapid crystal mixing with ligands. Mixing times of <2 ms were achieved. Droplet microfluidics for crystal size engineering and rapid micromixing can be utilized to advance time-resolved serial crystallography. Full Article text
tim KINNTREX: a neural network to unveil protein mechanisms from time-resolved X-ray crystallography By journals.iucr.org Published On :: 2024-04-25 Here, a machine-learning method based on a kinetically informed neural network (NN) is introduced. The proposed method is designed to analyze a time series of difference electron-density maps from a time-resolved X-ray crystallographic experiment. The method is named KINNTREX (kinetics-informed NN for time-resolved X-ray crystallography). To validate KINNTREX, multiple realistic scenarios were simulated with increasing levels of complexity. For the simulations, time-resolved X-ray data were generated that mimic data collected from the photocycle of the photoactive yellow protein. KINNTREX only requires the number of intermediates and approximate relaxation times (both obtained from a singular valued decomposition) and does not require an assumption of a candidate mechanism. It successfully predicts a consistent chemical kinetic mechanism, together with difference electron-density maps of the intermediates that appear during the reaction. These features make KINNTREX attractive for tackling a wide range of biomolecular questions. In addition, the versatility of KINNTREX can inspire more NN-based applications to time-resolved data from biological macromolecules obtained by other methods. Full Article text
tim Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development By journals.iucr.org Published On :: 2024-04-19 Metal-based complexes with their unique chemical properties, including multiple oxidation states, radio-nuclear capabilities and various coordination geometries yield value as potential pharmaceuticals. Understanding the interactions between metals and biological systems will prove key for site-specific coordination of new metal-based lead compounds. This study merges the concepts of target coordination with fragment-based drug methodologies, supported by varying the anomalous scattering of rhenium along with infrared spectroscopy, and has identified rhenium metal sites bound covalently with two amino acid types within the model protein. A time-based series of lysozyme-rhenium-imidazole (HEWL-Re-Imi) crystals was analysed systematically over a span of 38 weeks. The main rhenium covalent coordination is observed at His15, Asp101 and Asp119. Weak (i.e. noncovalent) interactions are observed at other aspartic, asparagine, proline, tyrosine and tryptophan side chains. Detailed bond distance comparisons, including precision estimates, are reported, utilizing the diffraction precision index supplemented with small-molecule data from the Cambridge Structural Database. Key findings include changes in the protein structure induced at the rhenium metal binding site, not observed in similar metal-free structures. The binding sites are typically found along the solvent-channel-accessible protein surface. The three primary covalent metal binding sites are consistent throughout the time series, whereas binding to neighbouring amino acid residues changes through the time series. Co-crystallization was used, consistently yielding crystals four days after setup. After crystal formation, soaking of the compound into the crystal over 38 weeks is continued and explains these structural adjustments. It is the covalent bond stability at the three sites, their proximity to the solvent channel and the movement of residues to accommodate the metal that are important, and may prove useful for future radiopharmaceutical development including target modification. Full Article text
tim Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes By journals.iucr.org Published On :: 2024-06-12 Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)]n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality. Full Article text
tim Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography By journals.iucr.org Published On :: 2024-07-22 Light–oxygen–voltage (LOV) domains are small photosensory flavoprotein modules that allow the conversion of external stimuli (sunlight) into intracellular signals responsible for various cell behaviors (e.g. phototropism and chloroplast relocation). This ability relies on the light-induced formation of a covalent thioether adduct between a flavin chromophore and a reactive cysteine from the protein environment, which triggers a cascade of structural changes that result in the activation of a serine/threonine (Ser/Thr) kinase. Recent developments in time-resolved crystallography may allow the activation cascade of the LOV domain to be observed in real time, which has been elusive. In this study, we report a robust protocol for the production and stable delivery of microcrystals of the LOV domain of phototropin Phot-1 from Chlamydomonas reinhardtii (CrPhotLOV1) with a high-viscosity injector for time-resolved serial synchrotron crystallography (TR-SSX). The detailed process covers all aspects, from sample optimization to data collection, which may serve as a guide for soluble protein preparation for TR-SSX. In addition, we show that the crystals obtained preserve the photoreactivity using infrared spectroscopy. Furthermore, the results of the TR-SSX experiment provide high-resolution insights into structural alterations of CrPhotLOV1 from Δt = 2.5 ms up to Δt = 95 ms post-photoactivation, including resolving the geometry of the thioether adduct and the C-terminal region implicated in the signal transduction process. Full Article text
tim Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1H-b By journals.iucr.org Published On :: 2024-05-14 The benzimidazole entity of the title molecule, C17H21N5O, is almost planar (r.m.s. deviation = 0.0262 Å). In the crystal, bifurcated C—H⋯O hydrogen bonds link individual molecules into layers extending parallel to the ac plane. Two weak C—H⋯π(ring) interactions may also be effective in the stabilization of the crystal structure. Hirshfeld surface analysis of the crystal structure reveals that the most important contributions for the crystal packing are from H⋯H (57.9%), H⋯C/C⋯H (18.1%) and H⋯O/O⋯H (14.9%) interactions. Hydrogen bonding and van der Waals interactions are the most dominant forces in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization of the title compound is dominated via dispersion energy contributions. The molecular structure optimized by density functional theory (DFT) at the B3LYP/6–311 G(d,p) level is compared with the experimentally determined molecular structure in the solid state. Full Article text
tim Crystal structure, Hirshfeld surface analysis, DFT optimized molecular structure and the molecular docking studies of 1-[2-(cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one By journals.iucr.org Published On :: 2024-09-12 The two molecules in the asymmetric unit of the title compound, C23H24N2O2S, have a structural overlap with an r.m.s. deviation of 0.82 Å. The piperidine rings adopt a distorted boat conformation. Intra- and intermolecular C—H⋯O hydrogen bonds are responsible for the cohesion of the crystal packing. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis. The molecular structure optimized by density functional theory (DFT) at the B3LYP/6–311++G(d,p)level is compared with the experimentally determined molecular structure in the solid state. Full Article text
tim Development and testing of a dual-frequency, real-time hardware feedback system for the hard X-ray nanoprobe beamline of the SSRF By journals.iucr.org Published On :: we introduce a novel approach for a real-time dual-frequency feedback system, which has been firstly used at the hard X-ray nanoprobe beamline of SSRF. The BiBEST can then efficiently stabilize X-ray beam position and stability in parallel, making use of different optical systems in the beamline. Full Article text
tim Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001) By journals.iucr.org Published On :: 2023-11-29 Time-resolved high-energy X-ray diffraction was used during growth of ultrathin NixFe3−xO4 films with varying Ni content (0 ≤ x ≤ 1.5) deposited on MgO(001) substrates by reactive molecular beam epitaxy, providing an insight into the growth dynamics of these films. In order to obtain structural information, reciprocal-space maps were recorded and the temporal evolution of the Bragg peaks specific to the octahedral and tetrahedral lattice sites of the inverse spinel structure of NixFe3−xO4 was observed during growth of the films. A time delay, corresponding to a coverage of 1.2–1.8 nm, between the appearance of the Bragg reflections originating from octahedral sites and reflections originating exclusively from tetrahedral sites indicates that the ferrite films grow in two stages. In the initial growth phase, a rock salt interface layer is formed. Afterwards, a structural transition occurs and the films grow in an inverse spinel structure. The thickness of the initial rock salt phase was found to increase with Ni content and to be responsible for atypical strain in the thin films. Films with Ni contents x > 1 do not show a structural transition. These films remain in a (deficient) rock salt structure consisting of a mixed Ni–Fe oxide and do not form a spinel structure at all. They show an increased number of NiO clusters as detected by X-ray photoelectron spectroscopy of the valence band, accompanied by a significant roughening of the films. Full Article text
tim Texture measurements on quartz single crystals to validate coordinate systems for neutron time-of-flight texture analysis By journals.iucr.org Published On :: 2023-11-24 In crystallographic texture analysis, ensuring that sample directions are preserved from experiment to the resulting orientation distribution is crucial to obtain physical meaning from diffraction data. This work details a procedure to ensure instrument and sample coordinates are consistent when analyzing diffraction data with a Rietveld refinement using the texture analysis software MAUD. A quartz crystal is measured on the HIPPO diffractometer at Los Alamos National Laboratory for this purpose. The methods described here can be applied to any diffraction instrument measuring orientation distributions in polycrystalline materials. Full Article text
tim Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β By journals.iucr.org Published On :: 2024-02-01 X-ray absorption spectroscopy (XAS) is a promising technique for determining structural information from sensitive biological samples, but high-accuracy X-ray absorption fine structure (XAFS) requires corrections of systematic errors in experimental data. Low-temperature XAS and room-temperature X-ray absorption spectro-electrochemical (XAS-EC) measurements of N-truncated amyloid-β samples were collected and corrected for systematic effects such as dead time, detector efficiencies, monochromator glitches, self-absorption, radiation damage and noise at higher wavenumber (k). A new protocol was developed using extended X-ray absorption fine structure (EXAFS) data analysis for monitoring radiation damage in real time and post-analysis. The reliability of the structural determinations and consistency were validated using the XAS measurement experimental uncertainty. The correction of detector pixel efficiencies improved the fitting χ2 by 12%. An improvement of about 2.5% of the structural fitting was obtained after dead-time corrections. Normalization allowed the elimination of 90% of the monochromator glitches. The remaining glitches were manually removed. The dispersion of spectra due to self-absorption was corrected. Standard errors of experimental measurements were propagated from pointwise variance of the spectra after systematic corrections. Calculated uncertainties were used in structural refinements for obtaining precise and reliable values of structural parameters including atomic bond lengths and thermal parameters. This has permitted hypothesis testing. Full Article text
tim Time-resolved AUSAXS at BL28XU at SPring-8 By journals.iucr.org Published On :: 2024-02-01 An anomalous ultra-small-angle X-ray scattering (AUSAXS) system has been constructed at BL28XU at SPring-8 for time-resolved AUSAXS experiments. The path length was extended to 9.1 m and a minimum of q = 0.0069 nm−1 was attained. Scattering profiles at 0.0069 to 0.3 nm−1 were successfully obtained at 17 different X-ray energies in 30 s using the BL28XU optical setup, which enables adjustment of the energy of the incident X-rays quickly without the beam position drifting. Time-resolved measurements were conducted to investigate changes in the structure of zinc compounds in poly(styrene-ran-butadiene) rubber during vulcanization. A change in energy dependence of the scattered intensity with time was found during vulcanization, suggesting the transformation of zinc in the reaction. Full Article text
tim The tin content of lead inclusions in ancient tin-bronze artifacts: a time-dependent process? By journals.iucr.org Published On :: 2024-05-10 In antiquity, Pb was a common element added in the production of large bronze artifacts, especially large statues, to impart fluidity to the casting process. As Pb does not form a solid solution with pure Cu or with the Sn–Cu alloy phases, it is normally observed in the metal matrix as globular droplets embedded within or in interstitial positions among the crystals of Sn-bronze (normally the α phase) as the last crystallizing phase during the cooling process of the Cu–Sn–Pb ternary melt. The disequilibrium Sn content of the Pb droplets has recently been suggested as a viable parameter to detect modern materials [Shilstein, Berner, Feldman, Shalev & Rosenberg (2019). STAR Sci. Tech. Archaeol. Res. 5, 29–35]. The application assumes a time-dependent process, with a timescale of hundreds of years, estimated on the basis of the diffusion coefficient of Sn in Pb over a length of a few micrometres [Oberschmidt, Kim & Gupta (1982). J. Appl. Phys. 53, 5672–5677]. Therefore, Pb inclusions in recent Sn-bronze artifacts are actually a metastable solid solution of Pb–Sn containing ∼3% atomic Sn. In contrast, in ancient artifacts, unmixing processes and diffusion of Sn from the micro- and nano-inclusions of Pb to the matrix occur, resulting in the Pb inclusions containing a substantially lower or negligible amount of Sn. The Sn content in the Pb inclusions relies on accurate measurement of the lattice parameter of the phase in the Pb–Sn solid solution, since for low Sn values it closely follows Vegard's law. Here, several new measurements on modern and ancient samples are presented and discussed in order to verify the applicability of the method to the detection of modern artwork pretending to be ancient. Full Article text
tim Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution By journals.iucr.org Published On :: 2024-06-07 Neutron spectroscopy uniquely and non-destructively accesses diffusive dynamics in soft and biological matter, including for instance proteins in hydrated powders or in solution, and more generally dynamic properties of condensed matter on the molecular level. Given the limited neutron flux resulting in long counting times, it is important to optimize data acquisition for the specific question, in particular for time-resolved (kinetic) studies. The required acquisition time was recently significantly reduced by measurements of discrete energy transfers rather than quasi-continuous neutron scattering spectra on neutron backscattering spectrometers. Besides this reduction in acquisition times, smaller amounts of samples can be measured with better statistics, and most importantly, kinetically changing samples, such as aggregating or crystallizing samples, can be followed. However, given the small number of discrete energy transfers probed in this mode, established analysis frameworks for full spectra can break down. Presented here are new approaches to analyze measurements of diffusive dynamics recorded within fixed windows in energy transfer, and these are compared with the analysis of full spectra. The new approaches are tested by both modeled scattering functions and a comparative analysis of fixed energy window data and full spectra on well understood reference samples. This new approach can be employed successfully for kinetic studies of the dynamics focusing on the short-time apparent center-of-mass diffusion. Full Article text
tim Demonstration of neutron time-of-flight diffraction with an event-mode imaging detector By journals.iucr.org Published On :: 2024-07-11 Neutron diffraction beamlines have traditionally relied on deploying large detector arrays of 3He tubes or neutron-sensitive scintillators coupled with photomultipliers to efficiently probe crystallographic and microstructure information of a given material. Given the large upfront cost of custom-made data acquisition systems and the recent scarcity of 3He, new diffraction beamlines or upgrades to existing ones demand innovative approaches. This paper introduces a novel Timepix3-based event-mode imaging neutron diffraction detector system as well as first results of a silicon powder diffraction measurement made at the HIPPO neutron powder diffractometer at the Los Alamos Neutron Science Center. Notably, these initial measurements were conducted simultaneously with the 3He array on HIPPO, enabling direct comparison. Data reduction for this type of data was implemented in the MAUD code, enabling Rietveld analysis. Results from the Timepix3-based setup and HIPPO were benchmarked against McStas simulations, showing good agreement for peak resolution. With further development, systems such as the one presented here may substantially reduce the cost of detector systems for new neutron instrumentation as well as for upgrades of existing beamlines. Full Article text
tim On the analysis of two-time correlation functions: equilibrium versus non-equilibrium systems By journals.iucr.org Published On :: 2024-07-04 X-ray photon correlation spectroscopy (XPCS) is a powerful tool for the investigation of dynamics covering a broad range of timescales and length scales. The two-time correlation function (TTC) is commonly used to track non-equilibrium dynamical evolution in XPCS measurements, with subsequent extraction of one-time correlations. While the theoretical foundation for the quantitative analysis of TTCs is primarily established for equilibrium systems, where key parameters such as the diffusion coefficient remain constant, non-equilibrium systems pose a unique challenge. In such systems, different projections (`cuts') of the TTC may lead to divergent results if the underlying fundamental parameters themselves are subject to temporal variations. This article explores widely used approaches for TTC calculations and common methods for extracting relevant information from correlation functions, particularly in the light of comparing dynamics in equilibrium and non-equilibrium systems. Full Article text
tim On the feasibility of time-resolved X-ray powder diffraction of macromolecules using laser-driven ultrafast X-ray sources By journals.iucr.org Published On :: 2024-07-29 With the emergence of ultrafast X-ray sources, interest in following fast processes in small molecules and macromolecules has increased. Most of the current research into ultrafast structural dynamics of macromolecules uses X-ray free-electron lasers. In parallel, small-scale laboratory-based laser-driven ultrafast X-ray sources are emerging. Continuous development of these sources is underway, and as a result many exciting applications are being reported. However, because of their low flux, such sources are not commonly used to study the structural dynamics of macromolecules. This article examines the feasibility of time-resolved powder diffraction of macromolecular microcrystals using a laboratory-scale laser-driven ultrafast X-ray source. Full Article text
tim Electronic angle focusing for neutron time-of-flight powder diffractometers By journals.iucr.org Published On :: 2024-10-01 A neutron time-of-flight (TOF) powder diffractometer with a continuous wide-angle array of detectors can be electronically focused to make a single pseudo-constant wavelength diffraction pattern, thus facilitating angle-dependent intensity corrections. The resulting powder diffraction peak profiles are affected by the neutron source emission profile and resemble the function currently used for TOF diffraction. Full Article text
tim Development of hard X-ray photoelectron spectroscopy in liquid cells using optimized microfabricated silicon nitride membranes By journals.iucr.org Published On :: 2024-10-15 We present first hard X-ray photoelectron spectroscopy (HAXPES) results of aqueous salt solutions and dispersions of gold nanoparticles in liquid cells equipped with specially designed microfabricated thin silicon nitride membranes, with thickness in the 15–25 nm range, mounted in a high-vacuum-compatible environment. The experiments have been performed at the HAXPES endstation of the GALAXIES beamline at the SOLEIL synchrotron radiation facility. The low-stress membranes are fabricated from 100 mm silicon wafers using standard lithography techniques. Platinum alignment marks are added to the chips hosting the membranes to facilitate the positioning of the X-ray beam on the membrane by detecting the corresponding photoemission lines. Two types of liquid cells have been used, a static one built on an Omicron-type sample holder with the liquid confined in the cell container, and a circulating liquid cell, in which the liquid can flow in order to mitigate the effects due to beam damage. We demonstrate that the membranes are mechanically robust and able to withstand 1 bar pressure difference between the liquid inside the cell and vacuum, and the intense synchrotron radiation beam during data acquisition. This opens up new opportunities for spectroscopic studies of liquids. Full Article text
tim PayPoint and Share Energy partner in order to optimise customer payment solutions By thepaypers.com Published On :: Mon, 11 Nov 2024 13:20:00 +0100 PayPoint has announced its partnership with Full Article
tim New 'Justice League' webseries for Machinima brings back iconic producer Bruce Timm By www.scpr.org Published On :: Thu, 18 Sep 2014 13:30:18 -0700 The lineup from the "Justice League" animated series.; Credit: Warner Bros. Bruce Timm's DC Comics animated universe, beginning with "Batman: The Animated Series" and continuing with "Superman," "Batman Beyond," "Justice League," "Justice League Unlimited" and more, remains one of the most beloved and critically acclaimed animated runs in existence. The run was so idenified with the producer that it was sometimes called the Timmverse, but the last show in that continuity ended in 2006 and Timm officially stepped down from working with DC animation in 2013. Now Timm is back. He's providing a darker take than the optimistic world he became known for in "Justice League: Gods and Monsters," a three-part digital series launching spring 2015 that will be tied in with a full-length animated film that comes out later that year, according to a press release. Timm's also re-teaming with Alan Burnett, who worked with Timm on "Batman: The Animated Series." It's part of DC Comics' efforts to set up their new film "Batman v Superman: Dawn of Justice," which hits in 2016, with the full Justice League film set for 2018. DC Comics as a whole has been moving in a darker direction with Christopher Nolan's Batman trilogy, the "Man of Steel" reboot of Superman and a more serious direction in many of its comic books. The company has followed in its tradition of epic storytelling, passing on the quips Marvel has popularized in films from "Iron Man" to "Guardians of the Galaxy." It's yet to be seen if Timm can recapture any of the magic from his classic cartoons, but there's reason to be optimistic for the creator of the series that introduced fan favorite Joker sidekick Harley Quinn, created a new origin for Mr. Freeze that cemented the character in the Batman mythos and led the team reimagining numerous characters in an iconic, broadly appealing way. If you want to catch up on Timm's legacy, his previous two Justice League series are available on Netflix and Amazon Prime, along with "Batman Beyond," while the Batman and Superman animated series are available on Amazon Prime. Timm also recently produced a short for the 75th anniversary of Batman called "Strange Days," setting the character in the retro world of the serialized pulp storytelling from the time Batman was originally created. You can watch that below: Batman anniversary short Watch the classic opening to "Batman: The Animated Series": Batman: The Animated Series opening And, a personal favorite joke from when Lex Luthor and the Flash trade bodies on "Justice League Unlimited": Flash/Luthor body swap Full Article
tim Off-Ramp's producer on the first time he ever heard public radio (it was Off-Ramp) By www.scpr.org Published On :: Wed, 21 Jun 2017 13:22:06 -0700 Hollywood billboard queen, Angelyne was featured on the first Off-Ramp episode producer Chris Greenspon ever heard.; Credit: Creative Commons via Flickr user Thomas Hawk Chris Greenspon and Rosalie Atkinson | Off-Ramp®After a few semesters of college radio at Mt. San Antonio College, I landed my first radio job: Board Operator! At struggling KFWB Newstalk 980. My career in radio began the way it does for so many, working odd hours and weekends. A few months into my new gig, I was leaving for work and I thought, “You know, if I’m going to work in radio, I should listen to the radio.” I drove over the bridge on Hacienda Boulevard in La Puente, heading towards the 60, and right in front of my on-ramp, there was a big, orange billboard for KPCC. Why not 89.3? The first thing I heard (and I should clarify that this was also my first time ever hearing public radio) was Janis Joplin getting her star on the Hollywood Walk of Fame, on Off-Ramp. Clive Davis, the CBS A&R executive who signed Joplin, told the crowd about how Joplin had suggested sealing their new relationship by having sex (though he demurred), and that his heart was broken when she died. Then Kris Kristofferson sang “Me & Bobby McGee,” and I was smiling, until I heard a chorus of hippies singing "Mercedes Benz." Pee-yew! “Should I stay?” I asked myself. How could I not, when someone named Dylan Brody came on and told a story about letting his dogs poop on the neighbor’s lawn? But then, the real cheese, for a 20-something year old, biracial kid who loved space ships and tough punk girls; "Love and Rockets" cartoonist Jaime Hernandez talking about drawing for Junot Diaz. All this was to say nothing of the loud, defiant-sounding host, who kept saying. "This is Off-Ramp, I’m John Rabe." I listened to him slide between all of these topics, and even report from the field himself, talking about museums in a way that wasn’t – boring. After a few more pieces and a few more uses of the Off-Ramp theme song, I had a new favorite show. And I suspect a few other people did too. That was November 2013. Five months later, I was on the show. At the end of the episode, I noticed that they had an intern in the credits, and after many repeated scourings of the KPCC careers page, the position finally opened up. So what’d I do? I went out with my chintzy audio recorder, and recorded a story so if I got an interview, I wouldn’t go in empty-handed. I didn’t get the internship then, but John did buy the piece. Remember the one about the Burmese Café run by an ex-biologist? I kept freelancing after that, and honestly, I got a lot of my ideas from stuff that Off-Ramp wasn’t doing. John would have Angelyne, and her famous Hollywood billboard, but what about the giant neon sign at Rose Hills Cemetery in Pico Rivera? Kevin Ferguson would hang out with Mike Watt from the Minutemen, but what about punk supergroup, the Flesh Eaters? And could we talk about a domestic violence shelter in a Thanksgiving Special, or the fact that a home-abortion movement started in Los Angeles? John eventually asked me to intern after turning the Jim Tully mini-documentary in, and even after joining the company, writing these kinds of stories for Off-Ramp was still not easy, but there was room for all of them. I would be beyond thrilled if somebody heard even one of them when they heard Off-Ramp for the first time. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
tim Mining Co. Provides Timeline for Flagship Gold Project By www.streetwisereports.com Published On :: Wed, 06 Nov 2024 00:00:00 PST Source: Jeremy Hoy 11/06/2024 The impending preliminary economic assessment will incorporate advancements made since the 2022 prefeasibility study, noted a Canaccord Genuity report.O3 Mining Inc. (TSXV:OIII; OTCQX:OIIIF) announced it now intends to release a completed preliminary economic assessment (PEA) of its Marban Alliance project near Val d'Or in Quebec, Canada, in Q4/24, ahead of the previously planned feasibility study (FS), reported Canaccord Genuity analyst Jeremy Hoy in an Oct. 30 research note. "Given the time passed since the 2022 prefeasibility study (PFS), moderate inflation, and the run-up in the gold price, we expect to see incremental increases to costs and capex, and likely higher commodity price assumptions for resources in the PEA," Hoy wrote. Potential Gain of 254% Canaccord Genuity reiterated its CA$4 per share price target on O3 Mining, trading at the time of the report at about CA$1.13 per share, noted Hoy. From the current price, the return to target is 254%. The Canadian explorer-developer is a Speculative Buy. PEA in Progress Management indicated the PEA will encompass advancements at Marban Alliance made since the PFS, including optimized mining and processing parameters, as well as additional resources, Hoy reported. These additional ounces will come from conversion of resources at the current pits along with the Malartic H zone's 342,000 ounce gold resource. The PEA and FS will showcase a standalone operation. O3 is evaluating toll milling options separately. What To Expect, Watch For Hoy presented the next steps for Marban Alliance, which are potential catalysts for O3 Mining. Following the completion of the PEA in Q4/24, environmental baseline studies will be finished in Q1/25. The start of impact studies will follow in Q2/25. An FS on the gold project will be done in H2/25. The impact study results will be filed in Q1/26. Meanwhile, exploration results from Horizon and Kinebik will be released as they become available. Mergers and acquisitions activity is yet another potential stock-moving event. "O3 is progressing Marban Alliance as a standalone project, but we continue to view [the company] as an important component in any Val d'Or consolidation discussion given its proximity to existing operations and other projects of scale in the region," wrote Hoy. Sign up for our FREE newsletter at: www.streetwisereports.com/get-newsImportant Disclosures: O3 Mining Inc. is a billboard sponsor of Streetwise Reports and pays SWR a monthly sponsorship fee between US$4,000 and US$5,000. Doresa Banning wrote this article for Streetwise Reports LLC and provides services to Streetwise Reports as an independent contractor. 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Copyright © Canaccord Genuity LLC 2024 – Member FINRA/SIPC Copyright © Canaccord Genuity (Australia) Limited. 2024 – Participant of ASX Group, Cboe Australia and of the NSX. Authorized and regulated by ASIC. All rights reserved. All material presented in this document, unless specifically indicated otherwise, is under copyright to Canaccord Genuity Corp., Canaccord Genuity Limited, Canaccord Genuity LLC or Canaccord Genuity Group Inc. None of the material, nor its content, nor any copy of it, may be altered in any way, or transmitted to or distributed to any other party, without the prior express written permission of the entities listed above. None of the material, nor its content, nor any copy of it, may be altered in any way, reproduced, or distributed to any other party including by way of any form of social media, without the prior express written permission of the entities listed above. ( Companies Mentioned: TSXV:OIII;OTCQX:OIIIF, ) Full Article
tim New research estimates the effectiveness of sagebrush restoration treatments across the sagebrush biome By www.usgs.gov Published On :: Thu, 31 Oct 2024 15:13:10 EDT Restoration of the imperiled sagebrush biome will require tools that assist resource managers in determining which restoration practices are most effective, and when and where restoration efforts will lead to the most ecosystem recovery. New research from USGS and Colorado State University provides biome-wide insights and spatially explicit tools that can inform restoration practices. Full Article
tim Fire up the 3D printer! It’s 2024 and it’s time to study some bats! By www.usgs.gov Published On :: Thu, 31 Oct 2024 16:14:26 EDT From wooden boxes and nets to 3D printers and gene editing, USGS scientists use tools old and new to tackle the tricky problems of bat science Full Article
tim Biden Signs A Law To Memorialize Victims Of The Pulse Nightclub Mass Shooting By www.scpr.org Published On :: Fri, 25 Jun 2021 14:00:10 -0700 Alana Wise | NPRPresident Biden signed a memorial bill to recognize the victims of the 2016 Pulse nightclub shooting and offered his condolences to people who are awaiting news on their loved ones in the wake of the deadly Surfside, Fla., partial condo collapse. Biden — who was vice president when a 29-year-old man killed 49 people and wounded 53 more in the nightclub mass shooting — signed the bill to enshrine a monument to the dozens killed in the Latin Night massacre. The shooting occurred at a gay nightclub in Orlando, Fla., in June 2016. The month of June is celebrated annually as LGBTQ Pride Month in the United States. "May a president never have to sign another monument like this," Biden said. Biden also offered his thoughts to the victims and loved ones of those affected by the catastrophic collapse this week of a Miami-Dade County condo. Authorities say four people have been declared dead and an additional 159 are considered missing in the rubble. "I just want to say, I've spoken to Gov. [Ron] DeSantis, and we've provided all the help that they have, they need," Biden said. "We sent the best people from FEMA down there. We're going to stay with them." 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
tim Psychiatrist – Hourly/Part-Time By www.governmentjobs.com Published On :: Fri, 01 Nov 2024 17:26:34 GMT Catawba County Social Services (Family NET) is recruiting a highly motivated, customer-oriented individual to work as an hourly/part-time Psychiatrist in a Social Services setting. This is an opportunity to collaborate in a community setting by providing psychiatric services in conjunction with the outpatient therapy provided by highly skilled clinicians. This position will see children/adolescents who are actively involved in therapy with Family NET, Early Childhood Support Team, or who have successfully achieved their therapy goals and require medication maintenance only. This position will be responsible for making diagnosis and medication management to referred clients. Schedule is negotiable. Typical schedule works 5 hours every other week. The position will work approximately 10 hours per month; there are no benefits associated with this position. Salary commensurate with experience Full Article
tim Chip crisis in ‘Danger Zone’ as wait times reach new record By cio.economictimes.indiatimes.com Published On :: Wed, 19 May 2021 12:49:00 +0530 Chip shortages are rippling through industry after industry, preventing companies from shipping products from cars to game consoles and refrigerators. Full Article
tim Obamacare Wins For The 3rd Time At The Supreme Court By www.scpr.org Published On :: Thu, 17 Jun 2021 09:40:13 -0700 A demonstrator holds a sign in support of the Affordable Care Act in front of the U.S. Supreme Court last November. On Thursday, the justices did just that.; Credit: Alex Brandon/AP Nina Totenberg | NPR Updated June 17, 2021 at 10:21 AM ET The U.S. Supreme Court upheld the Affordable Care Act for the third time on Thursday, leaving in place the broad provisions of the law enacted by Congress in 201o. The vote was 7 to 2. The opinion was authored by Justice Stephen Breyer who was joined by Chief Justice John Roberts and Justices Clarence Thomas, Sonia Sotomayor, Elena Kagan, Brett Kavanaugh and Amy Coney Barrett. Justices Samuel Alito and Neil Gorsuch dissented. The decision threw out the challenge to the law on the grounds that Texas and other objecting GOP-dominated states were not required to pay anything under the mandate provision and thus had no standing to bring the challenge to court. "To have standing, a plaintiff must 'allege personal injury fairly traceable to the defendant's allegedly unlawful conduct and likely to be redressed by the requested relief,' " the majority wrote. "No plaintiff has shown such an injury 'fairly traceable' to the 'allegedly unlawful conduct' challenged here." The mandate, the most controversial provision of the law, required that people either buy health insurance or pay a penalty. In 2012, it was upheld by a 5-4 vote, with Chief Justice John Roberts casting the decisive fifth vote, on the grounds that the penalty fell within the taxing power of Congress. In 2017, Congress got rid of the penalty after the Congressional Budget Office concluded that the law would continue to function effectively without it. That prompted the challengers to go back to court, contending that because the penalty had been zeroed out, it was no longer a tax or a mandate. What's more, they contended, because the mandate was so interwoven with the rest of the ACA, the whole law must be struck down. Over 31 million Americans have access health insurance through the ACA — a record high since the law's inception, the White House said last week. In addition, the Urban Institute reported in May that ACA premiums have gone down each of the last three years. Many of the provisions of the ACA are now taken for granted. Up to 135 million people are covered by the ban on discrimination against those with preexisting conditions. Young adults are now permitted to stay on their parents' insurance until age 26; copays are not permitted for preventive care; and insurance companies can no longer put lifetime caps on benefits, are required to spend 80% of premiums on medical coverage and are barred from discrimination based on factors like gender. In addition, Medicaid coverage was greatly expanded after all but a dozen states took advantage of the ACA to expand federally subsidized coverage under the program. Among those who have benefited are many who lost their health insurance when they lost their jobs in the COVID-19 pandemic. 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
tim National Crime Victimization Survey Is Likely Undercounting Rape and Sexual Assault - Justice Department Should Create New, Separate Survey By Published On :: Tue, 19 Nov 2013 06:00:00 GMT One of the nation’s largest surveys of crime victims is likely undercounting incidences of rape and sexual assault, making it difficult to ensure that adequate law enforcement resources and support services are available for victims, says a new report by the National Research Council. Full Article
tim Chronic Fatigue Syndrome/Myalgic Encephalomyelitis Is a Legitimate Disease That Needs Proper Diagnosis and Treatment, Says IOM Report Identifies Five Symptoms to Diagnose Disease By Published On :: Tue, 10 Feb 2015 05:00:00 GMT Myalgic Encephalomyelitis/Chronic Fatigue Syndrome -- commonly referred to as ME/CFS -- is a legitimate, serious, and complex systemic disease that frequently and dramatically limits the activities of affected individuals, says a new report from the Institute of Medicine. Full Article
tim Report Finds Immigrants Come to Resemble Native-Born Americans Over Time, But Integration Not Always Linked to Greater Well-Being for Immigrants By Published On :: Mon, 21 Sep 2015 05:00:00 GMT As immigrants and their descendants become integrated into U.S. society, many aspects of their lives improve, including measurable outcomes such as educational attainment, occupational distribution, income, and language ability, but their well-being declines in the areas of health, crime, and family patterns, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
tim Remote Real-Time Monitoring of Offshore Oil and Gas Operations – New Report By Published On :: Mon, 02 May 2016 05:00:00 GMT Over the last 25 years, deep-water oil and gas production in the Gulf of Mexico has increased significantly. Full Article
tim Fukushima Daiichi Nuclear Accident Is ‘Wake-Up Call’ for U.S. to Improve Real-Time Monitoring of Spent Fuel Pools By Published On :: Fri, 20 May 2016 05:00:00 GMT The 2011 Fukushima Daiichi nuclear accident should serve as a wake-up call to nuclear plant operators and regulators on the critical importance of measuring, maintaining, and restoring cooling in spent fuel pools during severe accidents and terrorist attacks, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
tim Revisions to WIC Program Needed - Changes Would Save Money Over Time By Published On :: Thu, 05 Jan 2017 06:00:00 GMT A new congressionally mandated report from the National Academies of Sciences, Engineering, and Medicine proposes updated revisions to the Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) to better align with the Dietary Guidelines for Americans and promote and support breast-feeding. Full Article
tim Report Recommends New Framework for Estimating the Social Cost of Carbon By Published On :: Wed, 11 Jan 2017 06:00:00 GMT To estimate the social cost of carbon dioxide for use in regulatory impact analyses, the federal government should use a new framework that would strengthen the scientific basis, provide greater transparency, and improve characterization of the uncertainties of the estimates, says a new report by the National Academies of Sciences, Engineering, and Medicine. Full Article
tim New Report Recommends Changes to County Crop and Cash Rent Estimation Methods Used by the National Agricultural Statistics Service By Published On :: Wed, 11 Oct 2017 05:00:00 GMT Producing more precise county-level estimates of crops and farmland cash rents will require integrating multiple data sources using model-based predictions that are more transparent and reproducible, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
tim Integration of a Wide Range of Safety Systems Is Needed to Develop an In-Time Aviation Safety Management System, New Report Says By Published On :: Thu, 18 Jan 2018 06:00:00 GMT A comprehensive aviation safety system as envisioned by NASA would require integration of a wide range of systems and practices, including building an in-time aviation safety management system (IASMS) that could detect and mitigate high-priority safety issues as they emerge and before they become hazards, says a new report by the National Academies of Sciences, Engineering, and Medicine. Full Article
tim New Report Recommends a Nationwide Effort to Better Estimate Methane Emissions By Published On :: Tue, 27 Mar 2018 05:00:00 GMT The U.S. should take bold steps to improve measurement, monitoring, and inventories of methane emissions caused by human activities, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
tim Team From University of Maryland, Baltimore, Wins Grand Prize in 2018 D.C. Public Health Case Challenge By Published On :: Wed, 17 Oct 2018 05:00:00 GMT The winners of the sixth annual D.C. Public Health Case Challenge were announced at this year’s National Academy of Medicine (NAM) Annual Meeting. Full Article
tim International Day for the Right to Truth concerning Gross Human Rights Violations and for the Dignity of Victims By Published On :: Mon, 24 Mar 2019 04:00:00 GMT International Day for the Right to Truth concerning Gross Human Rights Violations and for the Dignity of Victims Today, on the International Day for the Right to the Truth concerning Gross Human Rights Violations and for the Dignity of Victims, we are sharing our interview with forensic anthropologist Mercedes Doretti, the Director of North and Central American Programs and Board Member of the Argentine Forensic Anthropology Team (EAAF), which she also co-founded. Doretti and her colleagues collect and analyze physical evidence of human rights abuses (which often includes identifying the remains of victims of grave human rights abuses and returning them to their families), and they regularly present their findings to tribunals and legal mechanisms around the world to secure justice for those whose rights to life and personal security have been violated. Full Article