forma Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: cis-diaquatetrakis(dimethylformamide-κO)manganese(II) tetrakis(μ3-N,2-dioxidobenzene-1-carboximidate)pentacopper(II) By scripts.iucr.org Published On :: 2020-04-30 The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3− is salicylhydroximate, and DMF is N,N-dimethylformamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main molecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each pentacopper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2− is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octahedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water molecules of the MnII ion. The water molecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3− ligands of the MCs. Full Article text
forma Compressive strain formation in surface-damaged crystals By scripts.iucr.org Published On :: 2020-04-23 The mechanism of formation of residual strain in crystals with a damaged surface has been studied by transmission electron microscopy in GaAs wafers ground with sandpaper. The samples showed a dislocation network located near the sample surface penetrating to a depth of a few micrometres, comparable to the size of abrasive particles used for the treatment, and no other types of defects were observed. A simple model for the formation of a compressive strain induced by the dislocation network in the damaged layer is proposed, in satisfactory agreement with the measured strain. The strain is generated by the formation of dislocation half-loops at the crystal surface, having the same component of the Burgers vectors parallel to the surface of the crystal. This is equivalent to the insertion of extra half-planes from the crystal surface to the depth of the damaged zone. This model can be generalized for other crystal structures. An approximate calculation of the strain generated from the observed dislocation distribution in the sample agrees with the proposed model and permits the conclusion that this mechanism is in general sufficient to explain the observed compressive strain, without the need to consider other types of defects. Full Article text
forma Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging By scripts.iucr.org Published On :: 2019-06-13 The fact that a protein crystal can serve as a chemical reaction vessel is intrinsically fascinating. That it can produce an electron-dense tetranuclear rhenium cluster compound from a rhenium tricarbonyl tribromo starting compound adds to the fascination. Such a cluster has been synthesized previously in vitro, where it formed under basic conditions. Therefore, its synthesis in a protein crystal grown at pH 4.5 is even more unexpected. The X-ray crystal structures presented here are for the protein hen egg-white lysozyme incubated with a rhenium tricarbonyl tribromo compound for periods of one and two years. These reveal a completed, very well resolved, tetra-rhenium cluster after two years and an intermediate state, where the carbonyl ligands to the rhenium cluster are not yet clearly resolved, after one year. A dense tetranuclear rhenium cluster, and its technetium form, offer enhanced contrast in medical imaging. Stimulated by these crystallography results, the unusual formation of such a species directly in an in vivo situation has been considered. It offers a new option for medical imaging compounds, particularly when considering the application of the pre-formed tetranuclear cluster, suggesting that it may be suitable for medical diagnosis because of its stability, preference of formation and biological compatibility. Full Article text
forma Competitive formation between 2D and 3D metal-organic frameworks: insights into the selective formation and lamination of a 2D MOF By scripts.iucr.org Published On :: 2019-06-12 The structural dimension of metal–organic frameworks (MOFs) is of great importance in defining their properties and thus applications. In particular, 2D layered MOFs are of considerable interest because of their useful applications, which are facilitated by unique structural features of 2D materials, such as a large number of open active sites and high surface areas. Herein, this work demonstrates a methodology for the selective synthesis of a 2D layered MOF in the presence of the competitive formation of a 3D MOF. The ratio of the reactants, metal ions and organic building blocks used during the reaction is found to be critical for the selective formation of a 2D MOF, and is associated with its chemical composition. In addition, the well defined and uniform micro-sized 2D MOF particles are successfully synthesized in the presence of an ultrasonic dispersion. Moreover, the laminated 2D MOF layers are directly synthesized via a modified bottom-up lamination method, a combination of chemical and physical stimuli, in the presence of surfactant and ultrasonication. Full Article text
forma Conformational characterization of full-length X-chromosome-linked inhibitor of apoptosis protein (XIAP) through an integrated approach By scripts.iucr.org Published On :: 2019-08-23 The X-chromosome-linked inhibitor of apoptosis protein (XIAP) is a multidomain protein whose main function is to block apoptosis by caspase inhibition. XIAP is also involved in other signalling pathways, including NF-κB activation and copper homeostasis. XIAP is overexpressed in tumours, potentiating cell survival and resistance to chemotherapeutics, and has therefore become an important target for the treatment of malignancy. Despite the fact that the structure of each single domain is known, the conformation of the full-length protein has never been determined. Here, the first structural model of the full-length XIAP dimer, determined by an integrated approach using nuclear magnetic resonance, small-angle X-ray scattering and electron paramagnetic resonance data, is presented. It is shown that XIAP adopts a compact and relatively rigid conformation, implying that the spatial arrangement of its domains must be taken into account when studying the interactions with its physiological partners and in developing effective inhibitors. Full Article text
forma Structural insights into conformational switching in latency-associated peptide between transforming growth factor β-1 bound and unbound states By scripts.iucr.org Published On :: 2020-02-06 Transforming growth factor β-1 (TGFβ-1) is a secreted signalling protein that directs many cellular processes and is an attractive target for the treatment of several diseases. The primary endogenous activity regulatory mechanism for TGFβ-1 is sequestration by its pro-peptide, latency-associated peptide (LAP), which sterically prohibits receptor binding by caging TGFβ-1. As such, recombinant LAP is promising as a protein-based therapeutic for modulating TGFβ-1 activity; however, the mechanism of binding is incompletely understood. Comparison of the crystal structure of unbound LAP (solved here to 3.5 Å resolution) with that of the bound complex shows that LAP is in a more open and extended conformation when unbound to TGFβ-1. Analysis suggests a mechanism of binding TGFβ-1 through a large-scale conformational change that includes contraction of the inter-monomer interface and caging by the `straight-jacket' domain that may occur in partnership through a loop-to-helix transition in the core jelly-roll fold. This conformational change does not appear to include a repositioning of the integrin-binding motif as previously proposed. X-ray scattering-based modelling supports this mechanism and reveals possible orientations and ensembles in solution. Although native LAP is heavily glycosylated, solution scattering experiments show that the overall folding and flexibility of unbound LAP are not influenced by glycan modification. The combination of crystallography, solution scattering and biochemical experiments reported here provide insight into the mechanism of LAP sequestration of TGFβ-1 that is of fundamental importance for therapeutic development. Full Article text
forma Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids By scripts.iucr.org Published On :: 2020-03-26 Herein the nucleation pathway of conformational polymorphs was revealed by studying the relationships and distinctions among a series of α,ω-alkanedicarboxylic acids [HOOC–(CH2)n−2–COOH, named DAn, where n = 5, 7, 9, 11, 13, 15] in the solid state and in solution. Their polymorphic outcomes, with the exception of DA5, show solvent dependence: form I with conformation I crystallizes from solvents with hydrogen-bond donating (HBD) ability, whereas form II with conformation II crystallizes preferentially from solvents with no HBD ability. In contrast, form II of DA5 does not crystallize in any of the solvents used. Quantum mechanical computation showed that there is no direct conformational link between the solvents and the resultant polymorphic outcomes. Surprisingly, solute aggregates were found in no-HBD solvents by Fourier transform infrared spectroscopy, and only monomers could be detected in HBD solvents, suggesting stronger solvation. Furthermore, it was found that all six compounds including DA5 followed the same pattern in solution. Moreover, crystal-packing efficiency calculations and stability tests stated that dimorphs of DA5 bear a greater stability difference than others. These suggest that the rearrangement from conformation II to I could not be limited by hard desolvation in HBD solvents, where form I was also obtained. In other systems, metastable II was produced in the same solvents, probably as a result of the rearrangement being limited by hard desolvation. In this work, a comparative study uncovers the proposed nucleation pathway: difficulty in desolvation has a remarkable effect on the result of rearrangement and nucleation outcome. Full Article text
forma Molecular conformational evolution mechanism during nucleation of crystals in solution By scripts.iucr.org Published On :: 2020-04-24 Nucleation of crystals from solution is fundamental to many natural and industrial processes. In this work, the molecular mechanism of conformational polymorphism nucleation and the links between the molecular conformation in solutions and in crystals were investigated in detail by using 5-nitrofurazone as the model compound. Different polymorphs were prepared, and the conformations in solutions obtained by dissolving different polymorphs were analysed and compared. The solutions of 5-nitrofurazone were proven to contain multiple conformers through quantum chemical computation, Raman spectra analysis, 2D nuclear Overhauser effect spectroscopy spectra analysis and molecular dynamics simulation. The conformational evolution and desolvation path was illustrated according to the 1H NMR spectra of solutions with different concentrations. Finally, based on all the above analysis, the molecular conformational evolution path during nucleation of 5-nitrofurazone was illustrated. The results presented in this work shed a new light on the molecular mechanism of conformational polymorphism nucleation in solution. Full Article text
forma Using Phaser and ensembles to improve the performance of SIMBAD By scripts.iucr.org Published On :: 2020-01-01 The conventional approach to search-model identification in molecular replacement (MR) is to screen a database of known structures using the target sequence. However, this strategy is not always effective, for example when the relationship between sequence and structural similarity fails or when the crystal contents are not those expected. An alternative approach is to identify suitable search models directly from the experimental data. SIMBAD is a sequence-independent MR pipeline that uses either a crystal lattice search or MR functions to directly locate suitable search models from databases. The previous version of SIMBAD used the fast AMoRe rotation-function search. Here, a new version of SIMBAD which makes use of Phaser and its likelihood scoring to improve the sensitivity of the pipeline is presented. It is shown that the additional compute time potentially required by the more sophisticated scoring is counterbalanced by the greater sensitivity, allowing more cases to trigger early-termination criteria, rather than running to completion. Using Phaser solved 17 out of 25 test cases in comparison to the ten solved with AMoRe, and it is shown that use of ensemble search models produces additional performance benefits. Full Article text
forma Measuring and using information gained by observing diffraction data By scripts.iucr.org Published On :: 2020-02-25 The information gained by making a measurement, termed the Kullback–Leibler divergence, assesses how much more precisely the true quantity is known after the measurement was made (the posterior probability distribution) than before (the prior probability distribution). It provides an upper bound for the contribution that an observation can make to the total likelihood score in likelihood-based crystallographic algorithms. This makes information gain a natural criterion for deciding which data can legitimately be omitted from likelihood calculations. Many existing methods use an approximation for the effects of measurement error that breaks down for very weak and poorly measured data. For such methods a different (higher) information threshold is appropriate compared with methods that account well for even large measurement errors. Concerns are raised about a current trend to deposit data that have been corrected for anisotropy, sharpened and pruned without including the original unaltered measurements. If not checked, this trend will have serious consequences for the reuse of deposited data by those who hope to repeat calculations using improved new methods. Full Article text
forma Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media By scripts.iucr.org Published On :: 2019-05-18 The photovoltaic perovskite, methylammonium lead triiodide [CH3NH3PbI3 (MAPbI3)], is one of the most efficient materials for solar energy conversion. Various kinds of chemical and physical modifications have been applied to MAPbI3 towards better understanding of the relation between composition, structure, electronic properties and energy conversion efficiency of this material. Pressure is a particularly useful tool, as it can substantially reduce the interatomic spacing in this relatively soft material and cause significant modifications to the electronic structure. Application of high pressure induces changes in the crystal symmetry up to a threshold level above which it leads to amorphization. Here, a detailed structural study of MAPbI3 at high hydrostatic pressures using Ne and Ar as pressure transmitting media is reported. Single-crystal X-ray diffraction experiments with synchrotron radiation at room temperature in the 0–20 GPa pressure range show that atoms of both gaseous media, Ne and Ar, are gradually incorporated into MAPbI3, thus leading to marked structural changes of the material. Specifically, Ne stabilizes the high-pressure phase of NexMAPbI3 and prevents amorphization up to 20 GPa. After releasing the pressure, the crystal has the composition of Ne0.97MAPbI3, which remains stable under ambient conditions. In contrast, above 2.4 GPa, Ar accelerates an irreversible amorphization. The distinct impacts of Ne and Ar are attributed to differences in their chemical reactivity under pressure inside the restricted space between the PbI6 octahedra. Full Article text
forma Comprehensive characterization of TSV etching performance with phase-contrast X-ray microtomography By journals.iucr.org Published On :: A complete method of comprehensive and quantitative evaluation of through-silicon via reliability using a highly sensitive phase-contrast X-ray microtomography was established. Quantitative characterizations include 3D local morphology and overall consistency of statistics. Full Article text
forma High-performance Python for crystallographic computing By scripts.iucr.org Published On :: 2019-07-24 The Python programming language, combined with the numerical computing library NumPy and the scientific computing library SciPy, has become the de facto standard for scientific computing in a variety of fields. This popularity is mainly due to the ease with which a Python program can be written and executed (easy syntax, dynamical typing, no compilation etc.), coupled with the existence of a large number of specialized third-party libraries that aim to lift all the limitations of the raw Python language. NumPy introduces vector programming, improving execution speeds, whereas SciPy brings a wealth of highly optimized and reliable scientific functions. There are cases, however, where vector programming alone is not sufficient to reach optimal performance. This issue is addressed with dedicated compilers that aim to translate Python code into native and statically typed code with support for the multi-core architectures of modern processors. In the present article it is shown how these approaches can be efficiently used to tackle different problems, with increasing complexity, that are relevant to crystallography: the 2D Laue function, scattering from a strained 2D crystal, scattering from 3D nanocrystals and, finally, diffraction from films and multilayers. For each case, detailed implementations and explanations of the functioning of the algorithms are provided. Different Python compilers (namely NumExpr, Numba, Pythran and Cython) are used to improve performance and are benchmarked against state-of-the-art NumPy implementations. All examples are also provided as commented and didactic Python (Jupyter) notebooks that can be used as starting points for crystallographers curious to enter the Python ecosystem or wishing to accelerate their existing codes. Full Article text
forma PtychoShelves, a versatile high-level framework for high-performance analysis of ptychographic data By scripts.iucr.org Published On :: 2020-03-13 Over the past decade, ptychography has been proven to be a robust tool for non-destructive high-resolution quantitative electron, X-ray and optical microscopy. It allows for quantitative reconstruction of the specimen's transmissivity, as well as recovery of the illuminating wavefront. Additionally, various algorithms have been developed to account for systematic errors and improved convergence. With fast ptychographic microscopes and more advanced algorithms, both the complexity of the reconstruction task and the data volume increase significantly. PtychoShelves is a software package which combines high-level modularity for easy and fast changes to the data-processing pipeline, and high-performance computing on CPUs and GPUs. Full Article text
forma ACMS: a database of alternate conformations found in the atoms of main and side chains of protein structures By journals.iucr.org Published On :: An online knowledge base on the alternate conformations adopted by main-chain and side-chain atoms in protein structures solved by X-ray crystallography is described. Full Article text
forma The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from dimethyl sulfoxide solvate to form D By scripts.iucr.org Published On :: 2020-05-07 In this work, the mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate (LM) was investigated. Two new solid forms of LM, a dimethyl sulfoxide (DMSO) solvate and an unsolvated form defined as form D, were discovered and characterized using powder X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, polarized light microscopy and Raman spectroscopy. To investigate the thermodynamic mechanism of solvent-mediated desolvation transformation (SMDT) from LM DMSO solvate to form D, solubilities of LM DMSO solvate and form D in binary solvent mixtures of DMSO and water at different water volume fractions and temperatures (293.15–323.15 K) were measured and correlated by non-random two liquids model. The solubility data were used to evaluate the thermodynamic driving force of the SMDT process from DMSO solvate to form D and the effect of the activities of water and DMSO on the transformation process. Raman spectroscopy was used to monitor in situ the solid phase compositions during the SMDT process from LM DMSO solvate to form D while the solution concentration was measured by the gravimetric method. The overall desolvation transformation experiments demonstrated that the SMDT process was controlled by the nucleation and growth of form D. Moreover, effects of operating factors on the SMDT process were studied and the results illustrated that water activity in solution was the paramount parameter in the SMDT process. Finally, a new SMDT mechanism was suggested and discussed. Full Article text
forma The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from dimethyl sulfoxide solvate to form D By journals.iucr.org Published On :: The solvent-mediated desolvation process of newly discovered lenvatinib DMSO solvate to form II at different water volume fractions and temperatures was investigated. It is confirmed that the activity of water is the most important factor affecting the desolvation process: the desolvation process only occurs when the activity of water is greater than the activity of DMSO, and one new mechanism of solvent-mediated desolvation process was proposed. Full Article text
forma Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation By scripts.iucr.org Published On :: 2019-08-30 Archaea are motile by the rotation of the archaellum. The archaellum switches between clockwise and counterclockwise rotation, and movement along a chemical gradient is possible by modulation of the switching frequency. This modulation involves the response regulator CheY and the archaellum adaptor protein CheF. In this study, two new crystal forms and protein structures of CheY are reported. In both crystal forms, CheY is arranged in a domain-swapped conformation. CheF, the protein bridging the chemotaxis signal transduction system and the motility apparatus, was recombinantly expressed, purified and subjected to X-ray data collection. Full Article text
forma Radio telescopes give astronomers rare glimpse at a young protostar’s formation By insider.si.edu Published On :: Mon, 16 Nov 2009 16:46:28 +0000 The way that massive stars form remains mysterious, in part, because massive stars are rare and tend to spend their youth shrouded by dust and gas and hidden from view. The post Radio telescopes give astronomers rare glimpse at a young protostar’s formation appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astrophysics Smithsonian Astrophysical Observatory supernova
forma Lemelson Center receives $2.6 million grant for informal science education By insider.si.edu Published On :: Mon, 25 Oct 2010 13:55:25 +0000 “Places of Invention,” a planned 3,500-square-foot exhibition at the National Museum of American History scheduled to open in 2014, will feature a selection of “hot spots” of invention and innovation—places where a critical mass of inventive people, networks, institutions, funding and other resources come together and creativity flourishes. The post Lemelson Center receives $2.6 million grant for informal science education appeared first on Smithsonian Insider. Full Article Research News Science & Nature National Museum of American History science education
forma Luminosity of extreme galaxy most likely driven by star formation By insider.si.edu Published On :: Tue, 22 Feb 2011 10:50:23 +0000 Astronomers are piecing together the reasons for these huge energy outputs, while sorting out why our own galaxy is so modest. The two primary suspects are bursts of star formation that produce many hot young stars, and processes associated with accretion of material onto a supermassive black hole at a galaxy's nucleus. The post Luminosity of extreme galaxy most likely driven by star formation appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian galaxies Smithsonian Astrophysical Observatory
forma New mapping of Mars shows Medusae Fossae Formation older than once thought By insider.si.edu Published On :: Fri, 25 May 2012 11:54:04 +0000 Recent geologic mapping of the Medusae Fossae Formation on Mars—an intensely eroded deposit near the northern edge of the cratered highlands—has revealed a wider distribution of its western component than was previously recognized. The post New mapping of Mars shows Medusae Fossae Formation older than once thought appeared first on Smithsonian Insider. Full Article Science & Nature Space astronomy astrophysics geology National Air and Space Museum planets
forma Serine 319 phosphorylation is necessary and sufficient to induce a Cx37 conformation that leads to arrested cell cycling [RESEARCH ARTICLE] By jcs.biologists.org Published On :: 2020-04-29T02:35:34-07:00 Samantha-Su Z. Taylor, Nicole L. Jacobsen, Tasha K. Pontifex, Paul Langlais, and Janis M. BurtConnexin 37 (Cx37) expression profoundly suppresses proliferation of rat insulinoma (Rin) cells in a manner dependent on gap junction channel (GJCh) functionality and the presence and phosphorylation status of its carboxyl-terminus (CT). In Rin cells growth arrested by induced Cx37 expression, serine 319 (S319) is frequently phosphorylated. Preventing phosphorylation at this site (alanine substitution; S319A) relieved Cx37 of its growth suppressive effect whereas mimicking phosphorylation at this site (aspartate substitution; S319D) enhanced Cx37's growth suppressive properties. Like Cx37-WT, -S319D GJChs and hemichannels (HChs) preferred the closed state, rarely opening fully, and gated slowly. In contrast, Cx37-S319A channels preferred open states, opened fully, and gated rapidly. These data indicate that phosphorylation-dependent conformational differences in Cx37 protein and channel function underlie Cx37-induced growth arrest vs. growth permissive phenotypes. That the closed state of -WT and Cx37-S319D GJChs and HChs favors growth arrest suggests that rather than specific permeants mediating cell cycle arrest, the closed conformation instead supports interaction of Cx37 with growth regulatory proteins that result in growth arrest. Full Article
forma The transformation matrices (distortion, orientation, correspondence), their continuous forms and their variants. Corrigenda By scripts.iucr.org Published On :: 2019-08-30 Appendices B4 and B5 of Cayron [Acta Cryst. (2019), A75, 411–437] contain equations involving the point group and the metric tensor in which the equality symbol should be substituted by the inclusion symbol. Full Article text
forma Basic tutorial of "Performance Monitor" By www.bleepingcomputer.com Published On :: 2013-09-23T12:21:06-05:00 Full Article
forma Smithsonian entomologist Gary Hevel gives information and advice about stinkbugs in your home By insider.si.edu Published On :: Thu, 09 Sep 2010 11:59:55 +0000 Here come the stinkbugs...With the cooler temperatures of fall the brown marmorated stinkbug begins a determined quest to find a warm place to spend the winter. Crowding around window screens and searching for other ways to get inside, homeowners in the United States will share their indoor living space this winter with millions of brown marmorated stinkbugs. In this video Gary Hevel, an entomolgist at the Smithsonian's National Museum of Natural History, shares some information about these interesting creatures, as well as some advice about how to deal with those that inevitably gain entry to your home. The post Smithsonian entomologist Gary Hevel gives information and advice about stinkbugs in your home appeared first on Smithsonian Insider. Full Article Video biodiversity insects National Museum of Natural History
forma Convert VHS to Digital Format? By www.bleepingcomputer.com Published On :: 2020-03-15T08:07:56-05:00 Full Article
forma Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene By scripts.iucr.org Published On :: 2020-04-30 A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB molecules with DMSO molecules between, accepting I⋯O halogen bonds from two TFDIB molecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO molecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO molecules showing four distinct disorder components, corresponding to an overlay of the 297 and 120 K structures. Assessment of the intermolecular interaction energies using the PIXEL method indicates that the various orientations of the DMSO molecules have very similar total interaction energies with the molecules of the TFDIB framework. The phase transformation is driven by interactions between DMSO molecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing interactions between neighbouring DMSO molecules, which lock in an ordered arrangement along the shortened a axis. Full Article text
forma Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis By journals.iucr.org Published On :: A Landau theory for the wurtzite-based heterovalent ternary semiconductor ZnSnN2 is developed and a first-order reconstructive phase transition is proposed as the cause of observed crystal structure disorder. The model infers that the phase transition is paraelectric to antiferroelectric. Full Article text
forma Lamellipodin tunes cell migration by stabilizing protrusions and promoting adhesion formation By jcs.biologists.org Published On :: 2020-04-09 Georgi DimchevApr 9, 2020; 133:jcs239020-jcs239020Articles Full Article
forma Changing Audio File Formats By www.bleepingcomputer.com Published On :: 2006-04-20T20:46:18-05:00 MP3 -> Wave or Wave -> MP3 Full Article
forma New Report Proposes Framework To Encourage Fluency With Information Technology By feedproxy.google.com Published On :: Thu, 08 Apr 1999 05:00:00 GMT The explosive growth of information technology is having a profound impact on our lives. Full Article
forma Opening Statement by Paul Tang on Reducing Medical Errors Requires National Computerized Information Systems - Data Standards Are Crucial to Improving Patient Safety By feedproxy.google.com Published On :: Thu, 20 Nov 2003 06:00:00 GMT Welcome to the public release of the latest Institute of Medicine report on the quality of health care in America. Full Article
forma Reducing Medical Errors Requires National Computerized Information Systems - Data Standards Are Crucial to Improving Patient Safety By feedproxy.google.com Published On :: Thu, 20 Nov 2003 06:00:00 GMT To significantly reduce the tens of thousands of deaths and injuries caused by medical errors every year, health care organizations must adopt information technology systems that are capable of collecting and sharing essential health information on patients and their care, says a new report by the Institute of Medicine of the National Academies. Full Article
forma New Report on Science Learning at Museums, Zoos, Other Informal Settings By feedproxy.google.com Published On :: Wed, 14 Jan 2009 06:00:00 GMT Each year, tens of millions of Americans, young and old, choose to learn about science in informal ways -- by visiting museums and aquariums, attending after-school programs, pursuing personal hobbies, and watching TV documentaries, for example. Full Article
forma Health Care Reform and Increased Patient Needs Require Transformation of Nursing Profession By feedproxy.google.com Published On :: Tue, 05 Oct 2010 05:00:00 GMT Nurses roles, responsibilities, and education should change significantly to meet the increased demand for care that will be created by health care reform and to advance improvements in Americas increasingly complex health system, says a new report from the Institute of Medicine. Full Article
forma IOM Report Calls for Cultural Transformation of Attitudes Toward Pain and Its Prevention and Management By feedproxy.google.com Published On :: Wed, 29 Jun 2011 05:00:00 GMT Every year, approximately 100 million* adult Americans experience chronic pain, a condition that costs the nation between $560 billion and $635 billion annually, says a new report from the Institute of Medicine. Full Article
forma Transformation of Health System Needed to Improve Care and Reduce Costs By feedproxy.google.com Published On :: Thu, 06 Sep 2012 05:00:00 GMT Americas health care system has become too complex and costly to continue business as usual, says a new report from the Institute of Medicine Full Article
forma Formaldehyde Confirmed as Known Human Carcinogen By feedproxy.google.com Published On :: Fri, 08 Aug 2014 05:00:00 GMT A new report from the National Research Council has upheld the listing of formaldehyde as “known to be a human carcinogen” in the National Toxicology Program 12th Report on Carcinogens (RoC). Full Article
forma Evaluating In-Service Performance of Guardrail End Treatments – New Report By feedproxy.google.com Published On :: Tue, 23 May 2017 05:00:00 GMT The end of a roadside guardrail must be designed so that it is not a hazard to occupants of a vehicle striking it and so that it absorbs energy in a crash and redirects the vehicle into a safe trajectory. Full Article
forma Statement by NAS, NAE, and NAM Presidents on Effort to Counter Online Misinformation By feedproxy.google.com Published On :: Tue, 20 Mar 2018 05:00:00 GMT We are pleased to announce that the National Academies of Sciences, Engineering, and Medicine are exploring ways to mobilize our expertise to counter misinformation on the web related to science, engineering, and health. Full Article
forma Academies Task Force on the 2020 Census Releases Letter Report on Proposed Information Collection By feedproxy.google.com Published On :: Tue, 07 Aug 2018 05:00:00 GMT The National Academies of Sciences, Engineering, and Medicines Task Force on the 2020 Census today issued a letter report and submitted it as a public comment to the U.S. Department of Commerce, which recently requested public comments on the 2020 Census. Full Article
forma To Improve Public Health, Medicine Regulators Worldwide Should Collaborate, Remove Barriers to Sharing Information, Says New Report By feedproxy.google.com Published On :: Thu, 21 Nov 2019 05:00:00 GMT Medicine regulatory authorities — including the U.S. Food and Drug Administration (FDA) — should strengthen cooperation with other countries’ regulators to ensure the quality, safety, and efficacy of medicines, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
forma New Fronts in the War on Misinformation By feedproxy.google.com Published On :: Mon, 02 Mar 2020 05:00:00 GMT National Academies host three events to explore ways to expand the reach of accurate science and health information online Full Article
forma svchost.exe eating bandwidth and performance By www.bleepingcomputer.com Published On :: 2020-05-09T09:30:14-05:00 Full Article
forma Why Fake Video, Audio May Not Be As Powerful In Spreading Disinformation As Feared By feeds.scpr.org Published On :: Thu, 07 May 2020 04:00:18 -0700 "Deepfakes" are digitally altered images that make incidents appear real when they are not. Such altered files could have broad implications for politics.; Credit: /Marcus Marritt for NPR Philip Ewing | NPRSophisticated fake media hasn't emerged as a factor in the disinformation wars in the ways once feared — and two specialists say it may have missed its moment. Deceptive video and audio recordings, often nicknamed "deepfakes," have been the subject of sustained attention by legislators and technologists, but so far have not been employed to decisive effect, said two panelists at a video conference convened on Wednesday by NATO. One speaker borrowed Sherlock Holmes' reasoning about the significance of something that didn't happen. "We've already passed the stage at which they would have been most effective," said Keir Giles, a Russia specialist with the Conflict Studies Research Centre in the United Kingdom. "They're the dog that never barked." The perils of deepfakes in political interference have been discussed too often and many people have become too familiar with them, Giles said during the online discussion, hosted by NATO's Strategic Communications Centre of Excellence. Following all the reports and revelations about election interference in the West since 2016, citizens know too much to be hoodwinked in the way a fake video might once have fooled large numbers of people, he argued: "They no longer have the power to shock." Tim Hwang, director of the Harvard-MIT Ethics and Governance of AI Initiative, agreed that deepfakes haven't proven as dangerous as once feared, although for different reasons. Hwang argued that users of "active measures" (efforts to sow misinformation and influence public opinion) can be much more effective with cheaper, simpler and just as devious types of fakes — mis-captioning a photo or turning it into a meme, for example. Influence specialists working for Russia and other governments also imitate Americans on Facebook, for another example, worming their way into real Americans' political activities to amplify disagreements or, in some cases, try to persuade people not to vote. Other researchers have suggested this work continues on social networks and has become more difficult to detect. Defense is stronger than attack Hwang also observed that the more deepfakes are made, the better machine learning becomes at detecting them. A very sophisticated, real-looking fake video might still be effective in a political context, he acknowledged — and at a cost to create of around $10,000, it would be easily within the means of a government's active measures specialists. But the risks of attempting a major disruption with such a video may outweigh an adversary's desire to use one. People may be too media literate, as Giles argued, and the technology to detect a fake may mean it can be deflated too swiftly to have an effect, as Hwang said. "I tend to be skeptical these will have a large-scale impact over time," he said. One technology boss told NPR in an interview last year that years' worth of work on corporate fraud protection systems has given an edge to detecting fake media. "This is not a static field. Obviously, on our end we've performed all sorts of great advances over this year in advancing our technology, but these synthetic voices are advancing at a rapid pace," said Brett Beranek, head of security business for the technology firm Nuance. "So we need to keep up." Beranek described how systems developed to detect telephone fraudsters could be applied to verify the speech in a fake clip of video or audio. Corporate clients that rely on telephone voice systems must be wary about people attempting to pose as others with artificial or disguised voices. Beranek's company sells a product that helps to detect them and that countermeasure also works well in detecting fake audio or video. Machines using neural networks can detect known types of synthetic voices. Nuance also says it can analyze a recording of a real known voice — say, that of a politician — and then contrast its characteristics against a suspicious recording. Although the world of cybersecurity is often described as one in which attackers generally have an edge over defenders, Beranek said he thought the inverse was true in terms of this kind of fraud detection. "For the technology today, the defense side is significantly ahead of the attack side," he said. Shaping the battlefield Hwang and Giles acknowledged in the NATO video conference that deepfakes likely will proliferate and become lower in cost to create, perhaps becoming simple enough to make with a smartphone app. One prospective response is the creation of more of what Hwang called "radioactive data" — material earmarked in advance so that it might make a fake easier to detect. If images of a political figure were so tagged beforehand, they could be spotted quickly if they were incorporated by computers into a deceptive video. Also, the sheer popularity of new fakes, if that is what happens, might make them less valuable as a disinformation weapon. More people could become more familiar with them, as well as being detectable by automated systems — plus they may also have no popular medium on which to spread. Big social media platforms already have declared affirmatively that they'll take down deceptive fakes, Hwang observed. That might make it more difficult for a scenario in which a politically charged fake video went viral just before Election Day. "Although it might get easier and easier to create deepfakes, a lot of the places where they might spread most effectively, your Facebooks and Twitters of the world, are getting a lot more aggressive about taking them down," Hwang said. That won't stop them, but it might mean they'll be relegated to sites with too few users to have a major effect, he said. "They'll percolate in these more shady areas." Copyright 2020 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
forma Supreme Court Arguments A Tech Success, But Format Strangles Usual Give-And-Take By feeds.scpr.org Published On :: Mon, 04 May 2020 18:00:13 -0700 It was a new day at the Supreme Court, which for the first time ever live-streamed oral arguments.; Credit: Andrew Harnik/AP Nina Totenberg | NPRThe U.S. Supreme Court made history Monday. The coronavirus lockdown forced the typically cautious court to hear arguments for the first time via telephone, and to stream the arguments live for the public to hear. Chief Justice John Roberts was at the court as the telephone session began, one or two other justices were in their offices at the court, and the rest of the justices dialed in from home. The first and only case heard Monday involved an arcane trademark question only a lawyer could love. Online travel search engine Booking.com is appealing a U.S. Patent and Trademark Office refusal to grant a trademark to the company. With the justices asking questions in order of seniority, the first big surprise was that Justice Clarence Thomas, who in the past has gone years without asking a question, did ask one, several in fact, when it came his turn. "Could Booking acquire an 800 number ... that's a vanity number, 1-800-BOOKING, for example?" Thomas asked Assistant Solicitor General Erica Ross. Yes, replied Ross, but domain names pose a different problem than phone numbers. Ultimately, she argued "the core problem with Booking.com is that it allows [Booking.com] to monopolize booking on the internet" to the exclusion of other sites like hotelbooking.com. Justice Stephen Breyer followed up when his turn came: "Same question as Justice Thomas ... good morning, anyway ... You can have a trademark that's an address. You can have a trademark that's a telephone number. So why can't you have a trademark that's a dot-com?" Justice Samuel Alito noted that the court's prior decision in this area of the law was more than 100 years old, and the statute dealing with trademarks was similarly enacted decades ago. "How can a rule that makes sense in the internet age be reconciled with the language" in these "pre-Internet era" laws? asked Alito. Next up to her lectern from her home was lawyer Lisa Blatt. This was her 40th Supreme Court argument and despite being a veteran, she said later that she was, as usual, sick to her stomach beforehand. But once at the lectern "it's always a rush of excitement," she said, and this time it was a special rush. "I loved getting a question from Justice Thomas ... I would go to the phone for the foreseeable future if I could get Justice Thomas to ask questions. That was wonderful," she said. Indeed, despite the new format Blatt and Ross seemed to have had a good time. "Your client would not object to the registration of any trademark that simply made a slight variation in Booking.com?" asked Alito. "There's a million booking registrations already," parried Blatt. Alito: "Would you just answer the question." Blatt: "They don't and have not and would not." Not, she added, unless another company ripped off the trademark with no variation. That would be theft, she said. So, when when the argument was over, what was her reaction? "After I hung up, I screamed, 'That was hard!' Because you're saying enough to answer, but not too much. And you don't have any like visual feedback, so it was hard." In the end, she said, the argument felt more like an oral exam than an oral argument. Tom Goldstein, publisher of Scotusblog, had a similar reaction. Goldstein, who has argued 43 cases before the court, said he thought the argument was probably more useful to the public than usual. "But I bet it was less useful for the justices," he said. "Because there was less opportunity to follow up on lines of questions and less opportunity to influence someone ... so there's much less engagement in the oral argument." Still there were no major hitches on this first day. Justice Sonia Sotomayor briefly forget to unmute her phone at one point, prompting a "Sorry, chief." Justice Breyer's voice broke up in static for a second or two. But as Goldstein observes, this was a big change for the court. "Culturally a change, technologically a change. And it could have been a big embarrassment if it didn't go well, but it went fine," he said. "I think they're happy." Copyright 2020 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
forma Digital transformation could be accelerated by COVID‑19 By feedproxy.google.com Published On :: Thu, 07 May 2020 12:30:04 +0000 The pandemic has highlighted the need for businesses to act with alacrity and prepare for the long haul – and to do so with cybersecurity in mind The post Digital transformation could be accelerated by COVID‑19 appeared first on WeLiveSecurity Full Article COVID-19
forma Energy Performance Buildings Directive: comparing Member State performance By ec.europa.eu Published On :: Thu, 20 Sep 2012 12:16:17 +0100 A method has been developed to compare how EU Member States have implemented the Energy Performance Buildings Directive. It suggests that implementation varies widely across Europe but that the Czech Republic, Finland, Portugal and Slovakia have kept to the Directive’s aims and guidelines most closely, based on data available in 2009. Full Article
forma New product information system increases energy-efficient purchases By ec.europa.eu Published On :: Thu, 7 Feb 2013 12:05:17 GMT In a recent experiment in Norway, electrical appliance stores increased their sales of energy-efficient tumble driers when consumers were made aware of their cheaper lifetime operating costs by shop staff and a new product labelling system. Full Article