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ADVERTISEMENT RETURN TO ISSUEEditorialNEXTReticular Chemistry—Construction, Properties, and Precision Reactions of FrameworksOmar M. YaghiCite this: J. Am. Chem. Soc. 2016, 138, 48, 15507–15509Publication Date (Web):December 7, 2016Publication History Published online7 December 2016Published inissue 7 December 2016https://pubs.acs.org/doi/10.1021/jacs.6b11821https://doi.org/10.1021/jacs.6b11821editorialACS PublicationsCopyright © 2016 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views12022Altmetric-Citations270LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (169 KB) Get e-AlertscloseSUBJECTS:Covalent organic frameworks,Functionalization,Metal organic frameworks,Metals,Molecules Get e-Alerts
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Research seeks to alter the optical characteristics of microalgae in order to improve solar-to-biofuels energy conversion efficiency in mass culture under bright sunlight conditions. This objective is achieved by genetically truncating the size of the light-harvesting chlorophyll arrays that serve to absorb sunlight in the photosynthetic apparatus.
Abstract Low‐energy electrons have been used predominantly to determine surface structure: low‐energy electron diffraction (LEED) surface crystallography to identify the location of surface atoms and molecules, their site symmetry, bond distances and bond angles; and high‐resolution electron energy‐loss spectroscopy (HREELS) to determine the vibrational spectra of atoms and molecules at surfaces. The key findings of research using LEED and HREELS will be discussed. The new directions of research using these two techniques for studies of disordered surface layers and more complex molecules will be reviewed. Scanning tunneling microscopy (STM) and atomic force microscopy are new techniques under rapid development for surface structure determination. The combination of STM and LEED crystallography permits the quantitative validation of STM findings. Atomic spatial resolution uncovered several unexpected surface structures. The use of STM during high‐pressure catalytic reactions is at the frontier of surface structure studies. Extended x‐ray adsorption fine structure (EXAFS) and photoelectron diffraction have been used to study the atomic structure and coordination of clusters. Laser sum frequency generation (SFG) is employed to obtain vibrational spectra of molecules at solid/liquid and solid/solid interfaces. These techniques expand the frontiers of surface structure analysis to new types of surface and interface systems.
I am no longer the editor of (a Journal) and shall always try to do right and be good, so that God will not make me one (again)!-Paraphrase, Mark Twain Actually, Mark Twain did not express my feelings as I complete my six years as editor of Health Services Research.But it was simply too good a statement to pass up.For some reason, I have always liked transitions.Perhaps it is because they imply a sense of progress, while at the same time maintaining a sense of continuity.Part of the past is brought into and reflected in the future while at the same time being replaced by or transformed by the future.Thus, I choose to view completing my six years as the editor of HSR as a transition.A transition from being very actively involved in all affairs of the Journal to being much less actively involved.A transition from the enjoyment of working with an outstanding group of people (from senior editors and board members to our authors) to watching others experience that enjoyment.A transition from taking personal pride in what the HSR team has achieved to date to, in the future, experiencing that pride in a more vicarious fashion.During the past six years, the Journal has achieved a number of milestones.These have included growth in the number of subscriptions, an almost doubling of the number of manuscripts submitted, significant expansion of the editorial board, the introduction of new features (e.g., the Public Policy Impact section and Research Translation Commentaries), the publication of ten special issues, electronic publishing of the Alice Hersh Memorial issue, increased media coverage, and, most recently, a significantly expanded number of pages.As evidence of the Journal's quality, eight HSR articles have received ''Article of the Year'' awards from several national associations over the past six years.Further evidence of the Journal's standing is reflected in a recent national survey that ranked HSR second only to the New
In this work, we study the mechanical behavior of solids with microstructure using the framework of Cosserat elasticity with a single unit director. This formulation captures the coupling between deformation and orientational fields that arises in many structured materials. To compute equilibrium configurations of such media, we develop two complementary computational approaches: a finite element formulation based on variational principles and a neural network-based solver that directly minimizes the total potential energy. The neural architecture is constructed to respect the fundamental kinematic structure of the theory. In particular, it enforces frame invariance of the energy, satisfies the unit-length constraint on the director field, and represents deformation and director fields through separate networks to preserve their kinematic independence in the variational setting. Beyond satisfying balance laws, however, physically admissible solutions must also correspond to stable energy minimizers. To assess this requirement, we derive the quasiconvexity condition, rank-one convexity condition, and the Legendre-Hadamard inequalities for the Cosserat model and formulate them in a manner suitable for evaluating neural network predictions. These necessary stability conditions provide a physics-based validation framework: network outputs that violate these necessary conditions cannot correspond to stable energy minimizers and can therefore be rejected. In this way, we integrate classical variational stability theory with modern machine-learning solvers, establishing a computational workflow in which equilibrium solutions are not only learned but also assessed for energetic consistency.
How and why has prison returned to the institutional forefront of advanced societies when four decades ago analysts of the penal scene were convinced it was on the decline, if not on the path towar...
Abstract The Information Technology Center at SRI International is developing a hybrid expert system to monitor and recommend actions in response to the growth of a crack in the reactor core of a light water nuclear power plant. The model of the nuclear power plant is implemented using an object-oriented representation. This model communicates with a FORTRAN program that calculates the crack growth as a function of electrochemical and hydraulic parameters outside the reactor core. These parameters are simulated by the object-oriented power plant model and supplied to the FORTRAN program. When the FORTRAN program completes its calculations, the information generated about the crack growth is sent back to the power plant model. This information then triggers "knowledge rules" that generate recommendations to the maintenance operators.
Metastable polymorphs often result from the interplay between thermodynamics and kinetics. Despite advances in predictive synthesis for solution-based techniques, there remains a lack of methods to design solid-state reactions targeting metastable materials. Here, we introduce a theoretical framework to predict and control polymorph selectivity in solid-state reactions. This framework presents reaction energy as a rarely used handle for polymorph selection, which influences the role of surface energy in promoting the nucleation of metastable phases. Through in situ characterization and density functional theory calculations on two distinct synthesis pathways targeting LiTiOPO 4 , we demonstrate how precursor selection and its effect on reaction energy can effectively be used to control which polymorph is obtained from solid-state synthesis. A general approach is outlined to quantify the conditions under which metastable polymorphs are experimentally accessible. With comparison to historical data, this approach suggests that using appropriate precursors could enable targeted materials synthesis across diverse chemistries through selective polymorph nucleation.