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    Nanoscale Studies of Organic Radicals: Surface, Interface, and Spinterface.
    Acc Chem Res 2018 Feb 21. Epub 2018 Feb 21.
    Institute of Physical and Theoretical Chemistry, University of Tübingen , Auf der Morgenstelle 18, 72076 Tübingen, Germany.
    In the last decade technology has brought significant changes to our lives, including new habits and a new view on social relationships. These technological innovations are based on several factors, one of which is miniaturization. This was made possible also due to the discovery and synthesis of new materials with characteristics at the nanoscale that are designed for specific purposes. Read More

    White-Light Emission from Layered Halide Perovskites.
    Acc Chem Res 2018 Feb 20. Epub 2018 Feb 20.
    Department of Chemistry, Stanford University , Stanford, California 94305, United States.
    With nearly 20% of global electricity consumed by lighting, more efficient illumination sources can enable massive energy savings. However, effectively creating the high-quality white light required for indoor illumination remains a challenge. To accurately represent color, the illumination source must provide photons with all the energies visible to our eye. Read More

    Investigation of α-MnOTunneled Structures as Model Cation Hosts for Energy Storage.
    Acc Chem Res 2018 Feb 19. Epub 2018 Feb 19.
    Department of Chemistry, Stony Brook University , Stony Brook, New York 11794, United States.
    Future advances in energy storage systems rely on identification of appropriate target materials and deliberate synthesis of the target materials with control of their physiochemical properties in order to disentangle the contributions of distinct properties to the functional electrochemistry. This goal demands systematic inquiry using model materials that provide the opportunity for significant synthetic versatility and control. Ideally, a material family that enables direct manipulation of characteristics including composition, defects, and crystallite size while remaining within the defined structural framework would be necessary. Read More

    Thermodynamic and Kinetic Effects in the Crystallization of Metal-Organic Frameworks.
    Acc Chem Res 2018 Feb 16. Epub 2018 Feb 16.
    Department of Chemistry, University of Oxford , Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, U.K.
    The evolution of metal-organic frameworks (MOFs) has been one of the most exciting aspects of materials chemistry over the last 20 years. In this Account, we discuss the development during this period in our understanding of the factors that control the crystallization of MOFs from solution. Both classical porous MOFs and dense MOF phases are considered. Read More

    Mass Spectrometry-Based Fast Photochemical Oxidation of Proteins (FPOP) for Higher Order Structure Characterization.
    Acc Chem Res 2018 Feb 16. Epub 2018 Feb 16.
    Department of Chemistry, Washington University , St. Louis, Missouri 63130, United States.
    Assessment of protein structure and interaction is crucial for understanding protein structure/function relationships. Compared to high-resolution structural tools, including X-ray crystallography, nuclear magnetic resonance (NMR), and cryo-EM, and traditional low-resolution methods, such as circular dichroism, UV-vis, and florescence spectroscopy, mass spectrometry (MS)-based protein footprinting affords medium-to-high resolution (i.e. Read More

    Oxidative Dehydrogenation on Nanocarbon: Insights into the Reaction Mechanism and Kinetics via in Situ Experimental Methods.
    Acc Chem Res 2018 Feb 15. Epub 2018 Feb 15.
    Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences , Shenyang 110016, P. R. China.
    Sustainable and environmentally benign catalytic processes are vital for the future to supply the world population with clean energy and industrial products. The replacement of conventional metal or metal oxide catalysts with earth abundant and renewable nonmetallic materials has attracted considerable research interests in the field of catalysis and material science. The stable and efficient catalytic performance of nanocarbon materials was discovered at the end of last century, and these materials are considered as potential alternatives for conventional metal-based catalysts. Read More

    Leveraging Engineering of Cells for Drug Delivery.
    Acc Chem Res 2018 Feb 15. Epub 2018 Feb 15.
    Joint Department of Biomedical Engineering, University of North Carolina at Chapel Hill and North Carolina State University , Raleigh, North Carolina 27695, United States.
    Cell therapy has become a momentum-gathering treatment strategy for a variety of diseases, including cancer, diabetes, hemophilia, and cardiomyopathy. However, clinical applications of conventional cell therapies have often been compromised by rapid decline in viability and function of the transplanted cells due to host recognition and subsequent foreign body rejection. Along this line, cell engineering technologies such as cell encapsulation within microcapsules and immobilization in porous scaffolds have been implemented to address the immunosuppression concerns. Read More

    Cellulose Depolymerization over Heterogeneous Catalysts.
    Acc Chem Res 2018 Feb 14. Epub 2018 Feb 14.
    Institute for Catalysis, Hokkaido University , Kita 21 Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.
    Cellulosic biomass is the largest source of renewable organic carbon on our planet. Cellulose accounts for 40-50 wt % of this lignocellulose, and it is a feedstock for industrially important chemicals and fuels. The first step in cellulose conversion involves its depolymerization to glucose or to its hydrogenated product sorbitol. Read More

    Spectrally Resolved and Functional Super-resolution Microscopy via Ultrahigh-Throughput Single-Molecule Spectroscopy.
    Acc Chem Res 2018 Feb 14. Epub 2018 Feb 14.
    Department of Chemistry, University of California , Berkeley, California 94720, United States.
    As an elegant integration of the spatial and temporal dimensions of single-molecule fluorescence, single-molecule localization microscopy (SMLM) overcomes the diffraction-limited resolution barrier of optical microscopy by localizing single molecules that stochastically switch between fluorescent and dark states over time. While this type of super-resolution microscopy (SRM) technique readily achieves remarkable spatial resolutions of ∼10 nm, it typically provides no spectral information. Meanwhile, current scanning-based single-location approaches for mapping the positions and spectra of single molecules are limited by low throughput and are difficult to apply to densely labeled (bio)samples. Read More

    Inert C-H Bond Transformations Enabled by Organometallic Manganese Catalysis.
    Acc Chem Res 2018 Feb 14. Epub 2018 Feb 14.
    Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Molecular Recognition and Function, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190, China.
    Traditional organic synthesis relies heavily on the transformations of various preinstalled functional groups, such as cross-coupling reactions using organohalides and organometallic reagents. The strategy of C-H activation enables the direct formation of C-C/C-X (X = heteroatom) bonds from inert C-H bonds, which can enhance the atom- and step-economy of organic synthesis. To date, precious metals have overwhelmingly dominated the C-H activation field; however, the rarity and high cost of these metals necessitate the development of more sustainable catalysts. Read More

    Proteostasis and the Regulation of Intra- and Extracellular Protein Aggregation by ATP-Independent Molecular Chaperones: Lens α-Crystallins and Milk Caseins.
    Acc Chem Res 2018 Feb 14. Epub 2018 Feb 14.
    Institute of Molecular, Cell and Systems Biology, University of Glasgow , Glasgow G12 8QQ, United Kingdom.
    Molecular chaperone proteins perform a diversity of roles inside and outside the cell. One of the most important is the stabilization of misfolding proteins to prevent their aggregation, a process that is potentially detrimental to cell viability. Diseases such as Alzheimer's, Parkinson's, and cataract are characterized by the accumulation of protein aggregates. Read More

    Optimizing Nanoelectrode Arrays for Scalable Intracellular Electrophysiology.
    Acc Chem Res 2018 Feb 13. Epub 2018 Feb 13.
    Broad Institute of MIT and Harvard , 415 Main Street, Cambridge, Massachusetts 02142, United States.
    Electrode technology for electrophysiology has a long history of innovation, with some decisive steps including the development of the voltage-clamp measurement technique by Hodgkin and Huxley in the 1940s and the invention of the patch clamp electrode by Neher and Sakmann in the 1970s. The high-precision intracellular recording enabled by the patch clamp electrode has since been a gold standard in studying the fundamental cellular processes underlying the electrical activities of neurons and other excitable cells. One logical next step would then be to parallelize these intracellular electrodes, since simultaneous intracellular recording from a large number of cells will benefit the study of complex neuronal networks and will increase the throughput of electrophysiological screening from basic neurobiology laboratories to the pharmaceutical industry. Read More

    Lanthanide-Directed Assembly of Interfacial Coordination Architectures-From Complex Networks to Functional Nanosystems.
    Acc Chem Res 2018 Feb 8;51(2):365-375. Epub 2018 Feb 8.
    Physik-Department E20, Technische Universität München , D-85748 Garching, Germany.
    Metallo-supramolecular engineering on surfaces provides a powerful strategy toward low-dimensional coordination architectures with prospects for several application fields. To date, most efforts have relied on transition metal centers, and only recently did we pioneer lanthanide-directed assembly. Coordination spheres and motifs with rare-earth elements generally display distinct properties and structural features. Read More

    DNA's Encounter with Ultraviolet Light: An Instinct for Self-Preservation?
    Acc Chem Res 2018 Feb 8;51(2):526-533. Epub 2018 Feb 8.
    Department of Chemistry and ‡Department of Molecular Biology and Biochemistry, Simon Fraser University , Burnaby, British Columbia V5A 1S6, Canada.
    Photochemical modification is the major class of environmental damage suffered by DNA, the genetic material of all free-living organisms. Photolyases are enzymes that carry out direct photochemical repair (photoreactivation) of covalent pyrimidine dimers formed in DNA from exposure to ultraviolet light. The discovery of catalytic RNAs in the 1980s led to the "RNA world hypothesis", which posits that early in evolution RNA or a similar polymer served both genetic and catalytic functions. Read More

    Construction of Axially Chiral Compounds via Asymmetric Organocatalysis.
    Acc Chem Res 2018 Feb 8;51(2):534-547. Epub 2018 Feb 8.
    Department of Chemistry, South University of Science and Technology of China , Shenzhen 518055, China.
    Axially chiral compounds have received much attention from chemists because of their widespread appearance in natural products, biologically active compounds, and useful chiral ligands in asymmetric catalysis. Because of the importance of this structural motif, the catalytic enantioselective construction of axially chiral scaffolds has been intensively investigated, and great progress has been accomplished. However, the majority of methodologies in this field focus on the use of metal catalysis, whereas approaches involving organocatalysis have started to emerge only recently. Read More

    Magnetic Nanomaterials: Chemical Design, Synthesis, and Potential Applications.
    Acc Chem Res 2018 Feb 7;51(2):404-413. Epub 2018 Feb 7.
    Beijing Key Laboratory for Magnetoelectric Materials and Devices (BKLMMD), BIC-EAST, Department of Materials Science and Engineering, College of Engineering, Peking University , Beijing 100871, China.
    Magnetic nanomaterials (MNMs) have attracted significant interest in the past few decades because of their unique properties such as superparamagnetism, which results from the influence of thermal energy on a ferromagnetic nanoparticle. In the superparamagnetic size regime, the moments of nanoparticles fluctuate as a result of thermal energy. To understand the fundamental behavior of superparamagnetism and develop relevant potential applications, various preparation routes have been explored to produce MNMs with desired properties and structures. Read More

    Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry.
    Acc Chem Res 2018 Feb 5;51(2):548-556. Epub 2018 Feb 5.
    Scuola Normale Superiore , Piazza dei Cavalieri 7, I-56126 Pisa, Italy.
    The prediction and interpretation of structural properties are the starting points for a deep understanding of thermochemistry, kinetics, and spectroscopic signatures of molecular systems. To give an example, detailed knowledge of the conformational behavior of the main building blocks of biomolecules in the gas phase (i.e. Read More

    High-Nuclearity Lanthanide-Containing Clusters as Potential Molecular Magnetic Coolers.
    Acc Chem Res 2018 Feb 2;51(2):517-525. Epub 2018 Feb 2.
    Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory of Physical Chemistry of Solid Surface and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China.
    High-nuclearity cluster-type metal complexes are a unique class of compounds, many of which have aesthetically pleasing molecular structures. Their interesting physical and chemical properties arise primarily from the electronic and/or magnetic interplay between the component metal ions. Among the extensive studies in the past two decades, those on lanthanide-containing clusters, lanthanide-exclusive or heterometallic with transition metal elements, are most notable. Read More

    Atmospherically Relevant Radicals Derived from the Oxidation of Dimethyl Sulfide.
    Acc Chem Res 2018 Feb 2;51(2):475-483. Epub 2018 Feb 2.
    Institute of Organic Chemistry, Justus-Liebig University , Heinrich-Buff-Ring 17, 35392 Giessen, Germany.
    The large number and amounts of volatile organosulfur compounds emitted to the atmosphere and the enormous variety of their reactions in various oxidation states make experimental measurements of even a small fraction of them a daunting task. Dimethyl sulfide (DMS) is a product of biological processes involving marine phytoplankton, and it is estimated to account for approximately 60% of the total natural sulfur gases released to the atmosphere. Ocean-emitted DMS has been suggested to play a role in atmospheric aerosol formation and thereby cloud formation. Read More

    Parallels in Structural Chemistry between the Molecular and Metallic Realms Revealed by Complex Intermetallic Phases.
    Acc Chem Res 2018 Feb 31;51(2):248-257. Epub 2018 Jan 31.
    Department of Chemistry, University of Wisconsin-Madison , 1101 University Avenue, Madison, Wisconsin 53706, United States.
    The structural diversity of intermetallic phases poses a great challenge to chemical theory and materials design. In this Account, two examples are used to illustrate how a focus on the most complex of these structures (and their relationships to simpler ones) can reveal how chemical principles underlie structure for broad families of compounds. First, we show how experimental investigations into the Fe-Al-Si system, inspired by host-guest like features in the structure of FeAlSi, led to a theoretical approach to deriving isolobal analogies between molecular and intermetallic compounds and a more general electron counting rule. Read More

    Multiscale Principles To Boost Reactivity in Gas-Involving Energy Electrocatalysis.
    Acc Chem Res 2018 Jan 31. Epub 2018 Jan 31.
    Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University , Beijing 100084, China.
    Various gas-involving energy electrocatalysis, including oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER), has witnessed increasing concerns recently for the sake of clean, renewable, and efficient energy technologies. However, these heterogeneous reactions exhibit sluggish kinetics due to multistep electron transfer and only occur at triple-phase boundary regions. Up to now, tremendous attention has been attracted to develop cost-effective and high-performance electrocatalysts to boost the electrocatalytic activities as promising alternatives to noble metal counterparts. Read More

    Mechanisms of Degradation and Strategies for the Stabilization of Cathode-Electrolyte Interfaces in Li-Ion Batteries.
    Acc Chem Res 2018 Feb 31;51(2):299-308. Epub 2018 Jan 31.
    Department of Chemistry, University of Illinois at Chicago , Chicago, Illinois 60607, United States.
    Undesired reactions at the interface between a transition metal oxide cathode and a nonaqueous electrolyte bring about challenges to the performance of Li-ion batteries in the form of compromised durability. These challenges are especially severe in extreme conditions, such as above room temperature or at high potentials. The ongoing push to increase the energy density of Li-ion batteries to break through the existing barriers of application in electric vehicles creates a compelling need to address these inefficiencies. Read More

    Structural Polymorphism as the Result of Kinetically Controlled Self-Assembly.
    Acc Chem Res 2018 Feb 30;51(2):465-474. Epub 2018 Jan 30.
    Department of Chemistry and Biochemistry, University of Notre Dame , Notre Dame, Indiana 46556, United States.
    Traditionally, the goal of self-assembly and supramolecular chemistry is to engineer an equilibrium structure with a desired geometry and functionality; this is achieved through careful choice of molecular monomers, growth conditions, and substrate. Supramolecular assemblies produced under nonequilibrium conditions, in contrast, can form metastable structures with conformations quite different from those accessible in equilibrium self-assembly. The study of nonequilibrium growth of clusters potentially impacts the study of nucleation in atmospheric aerosols, nucleation in organic crystallization, and mesoscale organization for systems ranging from biological molecules to molecular electronics. Read More

    Mesh Nanoelectronics: Seamless Integration of Electronics with Tissues.
    Acc Chem Res 2018 Feb 30;51(2):309-318. Epub 2018 Jan 30.
    Department of Chemistry and Chemical Biology and ‡Harvard John A. Paulson School of Engineering and Applied Sciences, Harvard University , Cambridge, Massachusetts 02138, United States.
    Nanobioelectronics represents a rapidly developing field with broad-ranging opportunities in fundamental biological sciences, biotechnology, and medicine. Despite this potential, seamless integration of electronics has been difficult due to fundamental mismatches, including size and mechanical properties, between the elements of the electronic and living biological systems. In this Account, we discuss the concept, development, key demonstrations, and future opportunities of mesh nanoelectronics as a general paradigm for seamless integration of electronics within synthetic tissues and live animals. Read More

    The Role of Cations on the Performance of Lithium Ion Batteries: A Quantitative Analytical Approach.
    Acc Chem Res 2018 Feb 30;51(2):265-272. Epub 2018 Jan 30.
    MEET Battery Research Center, University of Muenster , Corrensstraße 46, 48149 Münster, Germany.
    Lithium ion batteries are nowadays the state-of-the-art power sources for portable electronic devices and the most promising candidate for energy storage in large-size batteries, e.g., pure and hybrid vehicles. Read More

    Deciphering the Ethylene Carbonate-Propylene Carbonate Mystery in Li-Ion Batteries.
    Acc Chem Res 2018 Feb 30;51(2):282-289. Epub 2018 Jan 30.
    Engineering Research Center of MTEES (Ministry of Education), Research Center of BMET (Guangdong Province), Engineering Lab. of OFMHEB (Guangdong Province), Key Lab. of ETESPG (GHEI), and Innovative Platform for ITBMD (Guangzhou Municipality), School of Chemistry and Environment, South China Normal University , Guangzhou 510006, China.
    As one of the landmark technologies, Li-ion batteries (LIBs) have reshaped our life in the 21stcentury, but molecular-level understanding about the mechanism underneath this young chemistry is still insufficient. Despite their deceptively simple appearances with just three active components (cathode and anode separated by electrolyte), the actual processes in LIBs involve complexities at all length-scales, from Limigration within electrode lattices or across crystalline boundaries and interfaces to the Liaccommodation and dislocation at potentials far away from the thermodynamic equilibria of electrolytes. Among all, the interphases situated between electrodes and electrolytes remain the most elusive component in LIBs. Read More

    Scandium Terminal Imido Chemistry.
    Acc Chem Res 2018 Feb 30;51(2):557-566. Epub 2018 Jan 30.
    State Key Laboratory of Organometallic Chemistry, Center for Excellence in Molecular Synthesis, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences , 345 Lingling Road, Shanghai 200032, P. R. China.
    Research into transition metal complexes bearing multiply bonded main-group ligands has developed into a thriving and fruitful field over the past half century. These complexes, featuring terminal M═E/M≡E (M = transition metal; E = main-group element) multiple bonds, exhibit unique structural properties as well as rich reactivity, which render them attractive targets for inorganic/organometallic chemists as well as indispensable tools for organic/catalytic chemists. This fact has been highlighted by their widespread applications in organic synthesis, for example, as olefin metathesis catalysts. Read More

    In Situ Synthesis and Single Crystal Synchrotron X-ray Diffraction Study of ht-SnSb: An Example of How Complex Modulated Structures Are Becoming Generally Accessible.
    Acc Chem Res 2018 Feb 27;51(2):223-229. Epub 2018 Jan 27.
    Centre for Analysis and Synthesis, Department of Chemistry, Lund University , POB 124, 221 00 Lund, Sweden.
    Recent developments in X-ray sources and detectors and the parallel development of software for nonstandard crystallography has made analysis of very complex structural problems accessible to nonexperts. Here, we report the successful solution of the structure of ht-SnSb, an analysis that presents several challenges but that is still manageable in a relatively straightforward way. This compound exists only in a narrow temperature regime and undergoes an unquenchable phase transformation on cooling to room temperature; it contains two elements with close to identical scattering factors, and the structure is incommensurately modulated with four symmetry dependent modulation wave vectors. Read More

    Understanding Conversion-Type Electrodes for Lithium Rechargeable Batteries.
    Acc Chem Res 2018 Feb 26;51(2):273-281. Epub 2018 Jan 26.
    Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
    The need/desire to lower the consumption of fossil fuels and its environmental consequences has reached unprecedented levels in recent years. A global effort has been undertaken to develop advanced renewable energy generation and especially energy storage technologies, as they would enable a dramatic increase in the effective and efficient use of renewable (and often intermittent) energy sources. The development of electrical energy storage (EES) technologies with high energy and power densities, long life, low cost, and safe use represents a challenge from both the fundamental science and technological application points of view. Read More

    Renaissance of Sandmeyer-Type Reactions: Conversion of Aromatic C-N Bonds into C-X Bonds (X = B, Sn, P, or CF).
    Acc Chem Res 2018 Feb 25;51(2):496-506. Epub 2018 Jan 25.
    Beijing National Laboratory of Molecular Sciences (BNLMS) and Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry, Peking University , Beijing 100871, China.
    The Sandmeyer reaction represents an important organic transformation that converts an arylamine to an aryl halide using Cu(I) halide via a diazonium salt intermediate. The reaction was first reported by Sandmeyer in 1884, and a number of named reactions closely related to it have been developed and widely applied in organic synthesis throughout the 20th century. These include the Pschorr reaction for the synthesis of biaryl tricycles, the Gomberg-Bachmann reaction for biaryl formations, the Balz-Schiemann reaction for C-F bond formations, and the Meerwein reaction for arylation of α,β-unsaturated carbonyl compounds. Read More

    Facilitated Unbinding via Multivalency-Enabled Ternary Complexes: New Paradigm for Protein-DNA Interactions.
    Acc Chem Res 2018 Jan 25. Epub 2018 Jan 25.
    Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
    Dynamic protein-DNA interactions constitute highly robust cellular machineries to fulfill cellular functions. A vast number of studies have focused on how DNA-binding proteins search for and interact with their target DNA segments and on what cellular cues can regulate protein binding, for which protein concentration is a most obvious one. In contrast, how protein unbinding could be regulated by protein concentration has evaded attention because protein unbinding from DNA is typically a unimolecular reaction and thus concentration independent. Read More

    Biological Nanopores: Confined Spaces for Electrochemical Single-Molecule Analysis.
    Acc Chem Res 2018 Feb 24;51(2):331-341. Epub 2018 Jan 24.
    Key Laboratory for Advanced Materials, School of Chemistry & Molecular Engineering, East China University of Science and Technology , Shanghai 200237, P. R. China.
    Nanopore sensing is developing into a powerful single-molecule approach to investigate the features of biomolecules that are not accessible by studying ensemble systems. When a target molecule is transported through a nanopore, the ions occupying the pore are excluded, resulting in an electrical signal from the intermittent ionic blockade event. By statistical analysis of the amplitudes, duration, frequencies, and shapes of the blockade events, many properties of the target molecule can be obtained in real time at the single-molecule level, including its size, conformation, structure, charge, geometry, and interactions with other molecules. Read More

    Architectonics: Design of Molecular Architecture for Functional Applications.
    Acc Chem Res 2018 Feb 24;51(2):414-426. Epub 2018 Jan 24.
    Bioorganic Chemistry Laboratory, New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research , Jakkur, Bengaluru 560064, India.
    The term architectonics has its roots in the architectural and philosophical (as early as 1600s) literature that refers to "the theory of structure" and "the structure of theory", respectively. The concept of architectonics has been adapted to advance the field of molecular self-assembly and termed as molecular architectonics. In essence, the methodology of organizing molecular units in the required and controlled configurations to develop advanced functional systems for materials and biological applications comprises the field of molecular architectonics. Read More

    Keeping Track of the Electrons.
    Acc Chem Res 2018 Feb 24;51(2):567-572. Epub 2018 Jan 24.
    Department of Chemistry, University of California , Irvine, California 92697-2025, United States.
    Mechanistic investigation and new reaction development are intertwined. This interdependence presents challenges and opportunities in development of all transformations, particularly for those that employ base metal catalysts. In comparison to precious metal counterparts, these catalysts yield less easily to mechanistic analysis. Read More

    Ultrathin Shape Change Smart Materials.
    Acc Chem Res 2018 Feb 23;51(2):436-444. Epub 2018 Jan 23.
    Department of Chemical and Biomolecular Engineering, Johns Hopkins University , Baltimore, Maryland 21218, United States.
    With the discovery of graphene, significant research has focused on the synthesis, characterization, and applications of ultrathin materials. Graphene has also brought into focus other ultrathin materials composed of organics, polymers, inorganics, and their hybrids. Together, these ultrathin materials have unique properties of broad significance. Read More

    Exploration of C-H Transformations of Aldehyde Hydrazones: Radical Strategies and Beyond.
    Acc Chem Res 2018 Feb 23;51(2):484-495. Epub 2018 Jan 23.
    State Key Laboratory of Coordination Chemistry, Jiangsu Key Laboratory of Advanced Organic Materials, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, P. R. China.
    The chemistry of hydrazones has gained great momentum due to their involvement throughout the evolution of organic synthesis. Herein, we discuss the tremendous developments in both the methodology and application of hydrazones. Hydrazones can be recognized not only as synthetic equivalents to aldehydes and ketones but also as versatile synthetic building blocks. Read More

    Comparing Strategies in the Design of Responsive Contrast Agents for Magnetic Resonance Imaging: A Case Study with Copper and Zinc.
    Acc Chem Res 2018 Feb 22;51(2):342-351. Epub 2018 Jan 22.
    Department of Chemistry, University of Minnesota , 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States.
    Magnetic resonance imaging (MRI) has emerged over the years as one of the preferred modalities for medical diagnostic and biomedical research. It has the advantage over other imaging modalities such as positron emission tomography and X-ray of affording high resolution three-dimensional images of the body without using harmful radiation. The use of contrast agents has further expanded this technique by increasing the contrast between regions where they accumulate and background tissues. Read More

    Time-Dependent Density Functional Theory for Open Systems and Its Applications.
    Acc Chem Res 2018 Feb 19;51(2):385-393. Epub 2018 Jan 19.
    Department of Chemistry, the University of Hong Kong , Pofkulam Road, Hong Kong SAR, China.
    Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. Read More

    Probing the Complexities of Structural Changes in Layered Oxide Cathode Materials for Li-Ion Batteries during Fast Charge-Discharge Cycling and Heating.
    Acc Chem Res 2018 Feb 19;51(2):290-298. Epub 2018 Jan 19.
    Chemistry Division, Brookhaven National Laboratory , Upton, New York 11973, United States.
    The rechargeable lithium-ion battery (LIB) is the most promising energy storage system to power electric vehicles with high energy density and long cycling life. However, in order to meet customers' demands for fast charging, the power performances of current LIBs need to be improved. From the cathode aspect, layer-structured cathode materials are widely used in today's market and will continue to play important roles in the near future. Read More

    Judicious Design of Cationic, Cyclometalated Ir(III) Complexes for Photochemical Energy Conversion and Optoelectronics.
    Acc Chem Res 2018 Feb 16;51(2):352-364. Epub 2018 Jan 16.
    Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
    The exponential growth in published studies on phosphorescent metal complexes has been triggered by their utilization in optoelectronics, solar energy conversion, and biological labeling applications. Very recent breakthroughs in organic photoredox transformations have further increased the research efforts dedicated to discerning the inner workings and structure-property relationships of these chromophores. Initially, the principal focus was on the Ru(II)-tris-diimine complex family. Read More

    The Nature and Reactivity of Ferryl Heme in Compounds I and II.
    Acc Chem Res 2018 Feb 12;51(2):427-435. Epub 2018 Jan 12.
    Department of Chemistry and Leicester Institute of Structural and Chemical Biology, University of Leicester , University Road, Leicester LE1 7RH, U.K.
    Aerobic organisms have evolved to activate oxygen from the atmosphere, which allows them to catalyze the oxidation of different kinds of substrates. This activation of oxygen is achieved by a metal center (usually iron or copper) buried within a metalloprotein. In the case of iron-containing heme enzymes, the activation of oxygen is achieved by formation of transient iron-oxo (ferryl) intermediates; these intermediates are called Compound I and Compound II. Read More

    Can Multielectron Intercalation Reactions Be the Basis of Next Generation Batteries?
    Acc Chem Res 2018 Feb 12;51(2):258-264. Epub 2018 Jan 12.
    NorthEast Center for Chemical Energy Storage, Binghamton University , Binghamton, New York 13902, United States.
    Intercalation compounds form the basis of essentially all lithium rechargeable batteries. They exhibit a wide range of electronic and crystallographic structures. The former varies from metallic conductors to excellent insulators. Read More

    Cluster Formation in the Superconducting Complex Intermetallic Compound BePt.
    Acc Chem Res 2018 Feb 9;51(2):214-222. Epub 2018 Jan 9.
    Max-Planck-Institut für Chemische Physik fester Stoffe , 01187 Dresden, Germany.
    Materials with the crystal structure of γ-brass type (CuZntype) are typical representatives of intermetallic compounds. From the electronic point of view, they are often interpreted using the valence electron concentration approach of Hume-Rothery, developed previously for transition metals. The γ-brass-type phases of the main-group elements are rather rare. Read More

    High Thermoelectric Performance of InSe-Based Materials and the Influencing Factors.
    Acc Chem Res 2018 Feb 9;51(2):240-247. Epub 2018 Jan 9.
    Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Beijing Normal University , Beijing 100875, P. R. China.
    Materials that can directly convert electricity into heat, i.e., thermoelectric materials, have attracted renewed attention globally for sustainable energy applications. Read More

    Proton-Coupled Electron Transfer in Artificial Photosynthetic Systems.
    Acc Chem Res 2018 Feb 8;51(2):445-453. Epub 2018 Jan 8.
    School of Molecular Sciences, Arizona State University , Tempe, Arizona 85287, United States.
    Artificial photosynthetic constructs can in principle operate more efficiently than natural photosynthesis because they can be rationally designed to optimize solar energy conversion for meeting human demands rather than the multiple needs of an organism competing for growth and reproduction in a complex ecosystem. The artificial photosynthetic constructs described in this Account consist primarily of covalently linked synthetic chromophores, electron donors and acceptors, and proton donors and acceptors that carry out the light absorption, electron transfer, and proton-coupled electron transfer (PCET) processes characteristic of photosynthetic cells. PCET is the movement of an electron from one site to another accompanied by proton transfer. Read More

    Organometallic Ruthenium Nanoparticles: Synthesis, Surface Chemistry, and Insights into Ligand Coordination.
    Acc Chem Res 2018 Feb 8;51(2):376-384. Epub 2018 Jan 8.
    LPCNO, Université de Toulouse, CNRS, INSA, UPS , 135, Avenue de Rangueil, 31077 Toulouse, France.
    Although there has been for the past 20 years great interest in the synthesis and use of metal nanoparticles, little attention has been paid to the complexity of the surface of these species. In particular, the different aspects concerning the ligands present, their location, their mode of binding, and their dynamics have been little studied. Our group has started in the early 1990s an investigation of the surface coordination chemistry of ruthenium and platinum nanoparticles but at that time with a lack of adequate techniques to fulfill our ambition. Read More

    Ambiphilic Molecules: From Organometallic Curiosity to Metal-Free Catalysts.
    Acc Chem Res 2018 Feb 8;51(2):454-464. Epub 2018 Jan 8.
    Département de Chimie, Centre de Catalyse et Chimie Verte, Université Laval , 1045 Avenue de la Médecine, Québec, Québec, Canada , G1V 0A6.
    Ambiphilic molecules were first used as functional ligands for transition elements, which could enable intriguing organometallic transformations. In the past decade, these intramolecular Lewis pairs, first considered organometallic curiosities, have become staples in organometallic chemistry and catalysis, acting as Z ligands, activating inert molecules using the concept of frustrated Lewis pair (FLP) chemistry, and acting as metal-free catalysts. In this Account, we detail our contribution to this blossoming field of research, focusing on the use of ambiphilic molecules as metal-free catalysts for COreduction and C-H borylation reactions. Read More

    Correlating Itinerant Magnetism in RCoPnPnictides (R = La, Ce, Pr, Nd, Eu, Ca; Pn = P, As) to Their Crystal and Electronic Structures.
    Acc Chem Res 2018 Feb 5;51(2):230-239. Epub 2018 Jan 5.
    Department of Chemistry and Biochemistry, Florida State University , Tallahassee, Florida 32306, United States.
    Rare-earth cobalt pnictides, RCoPn(Pn = P, As), belong to the ThCrSistructure type, which is ubiquitous among intermetallic compounds. The structural and magnetic properties of simple ternary RCoPphosphides, which combine partially delocalized (itinerant) 3d magnetic moments of cobalt and localized 4f magnetic moments of lanthanides, were investigated extensively in 1980-1990s, predominantly by the Jeitschko group. Those studies established that LaCoPshows ferromagnetic (FM) ordering of Co moments, while the other members of the series, with R = Ce, Pr, Nd, or Sm, exhibit antiferromagnetic (AFM) ordering in both R and Co magnetic sublattices. Read More

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