bluuebunny/crossref_metadata_2025 huggingface dataset:
Chiral Photonic Cellulose Films Enabling Mechano/Chemo Responsive Selective Reflection of Circularly Polarized Light
Authors: Qu Dan , Zheng Hongzhi , Jiang Haijing , Xu Yan , Tang Zhiyong
Published: January 2019

Stimuli‐responsive selective reflection of circularly polarized light in a broad wavelength range is of significance from scientific and technological viewpoints. Herein, chiral photonic cellulose films are fabricated which exhibit selective reflection of circularly polarized light responsive to mechanical and chemical stimuli. The chiral photonic cellulose films are highly deformable with the strain‐at‐break up to 40.8%, which is the highest among reported chiral photonic cellulose films. Selective reflection of left‐handed circularly polarized light responsive to bending and uniaxial tensioning across the entire visible spectrum is demonstrated, as well as reversible response to water vapor (10–100% relative humidity) from the visible to the near‐infrared region with Δλmax = 492 nm. The stimuli response is realized by alterable helical organization based on supramolecular chemistry. The current work provides a general strategy for rational design of multistimuli‐responsive selective reflection of circularly polarized light, and a soft material platform for scalable camouflaging and security materials.
Digital Metasurface with Phase Code and Reflection–Transmission Amplitude Code for Flexible Full‐Space Electromagnetic Manipulations
Authors: Wu Rui Yuan , Zhang Lei , Bao Lei , Wu Liang Wei , Ma Qian , Bai Guo Dong , Wu Hao Tian , Cui Tie Jun
Published: January 2019

Digital coding metasurfaces have been introduced to describe the properties of metasurfaces digitally and provide a new approach to link the physical world and information science. However, most of the current digital metasurfaces are focused on phase code, limiting their functions and applications. Here, the concept of reflection–transmission (R–T) amplitude code is established, and novel digital metasurfaces for full‐space electromagnetic (EM) manipulations are proposed, in which the digital states of the R–T amplitude code “0” and “1” represent the total reflection and transmission, respectively. The introduction of the R–T amplitude code enables a full‐space communication system and larger information capacity by associating with phase codes. For this purpose, first a novel polarization‐dependent R–T amplitude code is proposed, which is distinguished by the polarization of the incidence. Further positive–intrinsic–negative (PIN) diodes are adopted to realize dynamic R–T amplitude code, resulting in real‐time controls of far‐field radiation characteristics. Good agreements between simulations and experiments demonstrate the powerful ability to manipulate the EM waves by combining the R–T amplitude and phase codes, indicating great potentials in new digital metasurface‐based information, radar, and imaging systems.
Tuning of the Optical Properties of the Transparent Conducting Oxide SrVO3 by Electronic Correlations
Authors: Boileau Alexis , Cheikh Aïmane , Fouchet Arnaud , David Adrian , Labbé Christophe , Marie Philippe , Gourbilleau Fabrice , Lüders Ulrike
Published: January 2019

The vanadate SrVO3 is a transparent conductor perovskite with optical and electrical properties competing with those of the most‐used indium tin oxide material. Although its charge density is comparable to that of metals, SrVO3 shows a plasma frequency below the visible range due to strong electronic correlations characterizing the electronic transport in this material and enhancing the effective mass. Therefore, the well‐known interplay between the structure and the electronic properties of strongly correlated systems can be used in such transparent conductor to tune the optical properties, as the plasma frequency also depends on the effective mass. In this study, SrVO3 films are grown by pulsed laser deposition onto different lattice mismatched perovskite substrates such as SrTiO3, LaAlO3, and (LaAlO3)0.3(Sr2TaAlO6)0.7 at different growth temperatures. The structural, electronic, and optical properties are analyzed, illustrating the influence of the strain on the structure of the films and on a shift of the plasma frequency. The electronic correlations in this new group of transparent conducting oxides can be therefore used as a supplementary lever for the tuning of the functional properties.
Cascade‐Microphase‐Separation‐Induced Hierarchical Photonic Structures in Supramolecular Organogel for Deformation‐Insensitive Structural Colors
Authors: Han Peng , He Xueying , Zhang Yingxue , Zhou Haiyan , Liu Meijin , Wu Na , Jiang Jieke , Wei Yu , Yao Xi , Zhou Jinming , Song Yanlin
Published: January 2019

Photonic materials with tunable structural colors in response to various stimuli have enabled diverse sensing and displaying applications. However, the changeable colors caused by mechanical deformations may severely confuse the optical readouts for the upcoming wearable photonics. Herein, an extremely stretchable supramolecular organogel is demonstrated with deformation‐insensitive structural colors through an unconventional cascade‐microphase‐separation process among the silica nanoparticles (SiO2 NPs), silicone oils, and hydrogen‐bonded polymer gel. The resultant sparse and abundant microscale SiO2 NP aggregates with proper sizes, shapes, and random distributions in the gel matrix serve as rigid structural color domains and secure invariant colors to the whole soft sample under extreme mechanical deformations. Moreover, the dynamic hydrogen bonding of the organogel matrix offers the nanocomposites shear‐thinning and easy‐molding property, making them ideal for color paints in versatile coating applications. The deformable organogel nanocomposites have great potentials in various fields requiring stable colors and open up a new avenue for the development of wearable photonic devices.
Palladium‐Catalyzed Cascade Reaction of o‐Bromobenzaldehydes with N‐Sulfonylhydrazones: An Efficient Approach to the Naphthalene Skeleton
Authors: Zhang Heng , Yu Yinghua , Huang Shenlin , Huang Xueliang
Published: January 2019

A new strategy for the construction of the naphthalene backbone is described. The reaction essentially starts from two simple aldehydes. The key step is enabled by a palladium‐carbene migratory insertion. After that, a sequence of reversible allylic alkylation and intramolecular condensation takes place to give the substituted naphthalene derivatives. Additional manipulations on the sulfonyl group in the product via palladium‐catalyzed Kumada coupling were also investigated.

magnified image
Unraveling High‐Yield Phase‐Transition Dynamics in Transition Metal Dichalcogenides on Metallic Substrates
Authors: Yin Xinmao , Tang Chi Sin , Wu Di , Kong Weilong , Li Changjian , Wang Qixing , Cao Liang , Yang Ming , Chang Yung‐Huang , Qi Dianyu , Ouyang Fangping , Pennycook Stephen J. , Feng Yuan Ping , Breese Mark B. H. , Wang Shi Jie , Zhang Wenjing , Rusydi Andrivo , Wee Andrew T. S.
Published: January 2019

2D transition metal dichalcogenides (2D‐TMDs) and their unique polymorphic features such as the semiconducting 1H and quasi‐metallic 1T′ phases exhibit intriguing optical and electronic properties, which can be used in novel electronic and photonic device applications. With the favorable quasi‐metallic nature of 1T′‐phase 2D‐TMDs, the 1H‐to‐1T′ phase engineering processes are an immensely vital discipline exploited for novel device applications. Here, a high‐yield 1H‐to‐1T′ phase transition of monolayer‐MoS2 on Cu and monolayer‐WSe2 on Au via an annealing‐based process is reported. A comprehensive experimental and first‐principles study is performed to unravel the underlying mechanism and derive the general trends for the high‐yield phase transition process of 2D‐TMDs on metallic substrates. While each 2D‐TMD possesses different intrinsic 1H‐1T′ energy barriers, the option of metallic substrates with higher chemical reactivity plays a significantly pivotal role in enhancing the 1H‐1T′ phase transition yield. The yield increase is achieved via the enhancement of the interfacial hybridizations by the means of increased interfacial binding energy, larger charge transfer, shorter interfacial spacing, and weaker bond strength. Fundamentally, this study opens up the field of 2D‐TMD/metal‐like systems to further scientific investigation and research, thereby creating new possibilities for 2D‐TMDs‐based device applications.
Nature‐Inspired Tri‐Pathway Design Enabling High‐Performance Flexible Li–O2 Batteries
Authors: Chen Chaoji , Xu Shaomao , Kuang Yudi , Gan Wentao , Song Jianwei , Chen Gegu , Pastel Glenn , Liu Boyang , Li Yiju , Huang Hao , Hu Liangbing
Published: January 2019

Trees have an abundant network of channels for the multiphase transport of water, ions, and nutrients. Recent studies have revealed that multiphase transport of ions, oxygen (O2) gas, and electrons also plays a fundamental role in lithium–oxygen (Li–O2) batteries. The similarity in transport behavior of both systems is the inspiration for the development of Li–O2 batteries from natural wood featuring noncompetitive and continuous individual pathways for ions, O2, and electrons. Using a delignification treatment and a subsequent carbon nanotube/Ru nanoparticle coating process, one is able to convert a rigid and electrically insulating wood membrane into a flexible and electrically conductive material. The resulting cell walls are comprised of cellulose nanofibers with abundant nanopores, which are ideal for Li+ ion transport, whereas the unperturbed wood lumina act as a pathway for O2 gas transport. The noncompetitive triple pathway design endows the wood‐based cathode with a low overpotential of 0.85 V at 100 mA g−1, a record‐high areal capacity of 67.2 mAh cm−2, a long cycling life of 220 cycles, and superior electrochemical and mechanical stability. The integration of such excellent electrochemical performance, outstanding mechanical flexibility, and renewable yet cost‐effective starting materials via a nature‐inspired design opens new opportunities for developing portable energy storage devices.
Zwitterions for Organic/Perovskite Solar Cells, Light‐Emitting Devices, and Lithium Ion Batteries: Recent Progress and Perspectives
Authors: Islam Amjad , Li Jianguo , Pervaiz Muhammad , Lu Zheng‐Hong , Sain Mohini , Chen Lihui , Ouyang Xinhua
Published: January 2019

Zwitterions, a class of materials that contain covalently bonded cations and anions, have been extensively studied in the past decades owing to their special features, such as excellent solubility in polar solvents, for solution processing and dipole formation for the transfer of carriers and ions. Recently, zwitterions have been developed as electrode modifiers for organic solar cells (OSCs), perovskite solar cells (PVSCs), and organic light‐emitting devices (OLEDs), as well as electrolyte additives for lithium ion batteries (LIBs). With the rapid advances of zwitterionic materials, high‐performance devices have been constructed with enhanced efficiencies by introducing them as interface layers and electrolyte additives. In this review, recent progress in OSCs, PVSCs, OLEDs, and LIBs by using zwitterions is highlighted. The authors also elaborate the role of various zwitterionic materials as interfacial layers and additives for highly efficient OSCs, PVSCs, OLEDs, and LIBs. This article presents an overview of device performance of zwitterionic materials. The structure–property relationship is also discussed. Finally, the prospects of zwitterion materials are also addressed.
Trifunctional Electrode Additive for High Active Material Content and Volumetric Lithium‐Ion Electrode Densities
Authors: Liu Tiefeng , Tong Chuan‐Jia , Wang Bo , Liu Li‐Min , Zhang Shanqing , Lin Zhan , Wang Dianlong , Lu Jun
Published: January 2019

The use of electrode additives such as binder and conductive additive (CA) in addition to high pore volume for electrolytes, results in reduced volumetric energy densities of all battery electrodes. In this work, it is proposed to use poly(furfuryl alcohol) (PFA) conductive resin as a trifunctional electrode additive to replace polyvinylidene fluoride (PVDF) and CA while simultaneously enabling low porosity electrode function. The resultant PFA binder has a long‐range ordered structure of conjugated diene, which allow electronic conductivity that leads to a CA‐free electrode fabrication process. The oxygen heteroatoms in the PFA structure reduce the diffusion barriers of lithium ions, lowers the amount of required electrolyte/pore volume and thus, increasing electrode density. Serving as a trifunctional electrode additive, a high electrode density of 2.65 g cm−3 of the LiFePO4 (LFP) electrode and therefore the highest volumetric energy density of 1551 Wh L−1 so far. The LFP electrode using PFA binder can achieve a capacity retention of ≈80% and Coulombic efficiency of over 99.9% after cycling for 500 times. The proposed in situ polymerization strategy could revolutionize the electrode process, with the advantages of being simple, environmentally friendly, and easily scalable to industrial applications.
Flow regime identification in horizontal pneumatic conveying by nonintrusive acoustic emission detection
Authors: Zhang Peng , Tian Sihang , Yang Yao , Huang Zhengliang , Sun Jingyuan , Liao Zuwei , Jiang Binbo , Wang Jingdai , Yang Yongrong , Xie Lei , Su Hongye
Published: January 2019

This work investigated flow regimes identification in horizontal pneumatic conveying from the scope of particle motions based on acoustic emission detection. Results showed that the variation of acoustic energy and acoustic energy fraction could be used to identify the transition between suspension flow and stratified flow. Near the transition point, the acoustic energy was maximum, and the energy fraction of particle‐wall collision mutated at high mass fluxes. Furthermore, the fluctuation distribution index (FI) was constructed learning from the concept of polymer molecular weight distribution index, and the “circumferential fluctuation difference (D)” was defined. Based on this, new identification criteria and flow regime diagram were established. In suspension flow, D >0. In stratified flow, D <0. While in slug flow, D ≈ 0. According to these criteria, flow regimes can be identified independently of changing trends of measurement parameters. The universality of above criteria was further verified under different operating conditions.
An introduction to chimeric antigen receptor (CAR) T‐cell immunotherapy for human cancer
Authors: Feins Steven , Kong Weimin , Williams Erik F. , Milone Michael C. , Fraietta Joseph A.
Published: January 2019

Chimeric antigen receptor (CAR) T‐cell therapy represents a major advancement in personalized cancer treatment. In this strategy, a patient's own T cells are genetically engineered to express a synthetic receptor that binds a tumor antigen. CAR T cells are then expanded for clinical use and infused back into the patient's body to attack and destroy chemotherapy‐resistant cancer. Dramatic clinical responses and high rates of complete remission have been observed in the setting of CAR T‐cell therapy of B‐cell malignancies. This resulted in two recent FDA approvals of CAR T cells directed against the CD19 protein for treatment of acute lymphoblastic leukemia and diffuse large B‐cell lymphoma. Thus, CAR T cells are arguably one of the first successful examples of synthetic biology and personalized cellular cancer therapy to become commercially available. In this review, we introduce the concept of using CAR T cells to break immunological tolerance to tumors, highlight several challenges in the field, discuss the utility of biomarkers in the context of predicting clinical responses, and offer prospects for developing next‐generation CAR T cell‐based approaches that will improve outcome.
High Performance of Carbon Nanotube Refrigerators
Authors: Cantuario Tiago E. , Fonseca Alexandre F.
Published: January 2019

Vapor‐compression dominates the market for refrigeration devices due to low cost and relatively high efficiency. However, the most efficient vapor refrigerants are either ozone depleting or global warming substances. Solid‐state cooling is a young field of research with promising results toward the development of new, efficient, and environment friendly technology for a new generation of refrigeration devices. One of these methods is based on the so‐called elastocaloric effect (ECE), which consists of a temperature variation of a system in response to the application of adiabatic stresses. Although most of the literature describes the study of ECE solid‐state cooling based on materials undergoing phase‐transitions, a study recently predicted that carbon nanotubes (CNTs) present ECE as large as 30 K for 3% of strain. This motivates research toward the development of nanorefrigerators. As nobody knows the efficiency of such an ECE‐based CNT nanorefrigerator, here, significantly high coefficient of performance values of 4.1 and 6.5, and extracted heat per weight as large as 40 J g−1 are reported for a zigzag CNT nanorefrigerator operating in an Otto‐like thermodynamic cycle. This efficiency is shown to overcome that of some other ECE materials.
Self‐Assembled Gels Formed in Deep Eutectic Solvents: Supramolecular Eutectogels with High Ionic Conductivity
Authors: Ruiz‐Olles Jorge , Slavik Petr , Whitelaw Nicole K. , Smith David K.
Published: January 2019

1,3:2,4‐Dibenzylidene‐d‐sorbitol (DBS), a simple, commercially relevant compound, was found to self‐assemble as a result of intermolecular noncovalent interactions into supramolecular gels in deep eutectic solvents (DESs) based on choline chloride combined with alcohols/ureas. DBS formed gels at a loading of 5 % w/v. Rheology confirmed the gel‐like nature of the materials, electron microscopy and X‐ray diffraction indicated underpinning nanofibrillar DBS networks, and differential scanning calorimetry showed the DES nature of the liquid‐like phase was retained. The ionic conductivities of the gels were similar to those of the unmodified DESs, thus proving the deep eutectic nature of the ionic liquid‐like phase. Gelation was tolerant of ionic additives Li+, Mg2+, and Ca2+; the resulting gels had similar conductivities to electrolyte dissolved in the native DES. The low‐molecular‐weight gelator DBS is thus a low‐cost additive that forms gels in DESs from readily available constituents, with conductivity levels suitable for practical applications.
Template‐Free Synthesis and Selective Filling of Janus Nanocups
Authors: Qiang Xiaolian , Steinhaus Andrea , Chen Chen , Chakroun Ramzi , Gröschel André H.
Published: January 2019

We report on the formation of shape‐ and surface‐anisotropic Janus nanocups (JNCs) by evaporation‐induced confinement assembly (EICA) of ABC triblock terpolymers. During microphase separation in spherical confinement, the triblock terpolymer spontaneously adopted a hemispherical shape with an inner concentric lamella–lamella (ll) morphology. Cross‐linking and disassembly of the microparticles resulted in well‐defined JNCs with different chemistry on the inside and outside. By synthesizing polymers with increasing length of the cross‐linkable block, we tuned the mechanical stability of the nanocups, which is relevant to control opening and closing of the cup cavity. We utilize the Janus properties for selective uptake of cargo exemplified by the filling of JNCs with polymer or gold nanoparticles. The directional properties of JNCs suggest applications in locomotion, oil‐spill recovery, storage and release, templating, and as nanoreactors with attoliter volume.
Nickel‐Catalyzed Asymmetric Reductive Diarylation of Vinylarenes
Authors: Anthony David , Lin Qiao , Baudet Judith , Diao Tianning
Published: January 2019

A nickel‐catalyzed asymmetric diarylation reaction of vinylarenes enables the preparation of chiral α,α,β‐triarylated ethane scaffolds, which exist in a number of biologically active molecules. The use of reducing conditions with aryl bromides as coupling partners obviates the need for stoichiometric organometallic reagents and tolerates a broad range of functional groups. The application of an N‐oxyl radical as a ligand to a nickel catalyst represents a novel approach to facilitate nickel‐catalyzed cross‐coupling reactions.
Preparation and viscoelasticity of anisotropic polyurethane composites filled with TiO2 particles
Authors: Niu Chenguang , Dong Xufeng , Xiong Xiaoyan , Qi Min
Published: January 2019

An anisotropic structure arranged by fillers is an effective method to make composites possess special properties, but the conventional particle‐reinforced polyurethane (PU) composites usually have an isotropic 0‐3 structure. In this study, a precipitation method was used to synthesize TiO2 particles. The particles were dispersed in a PU matrix, and the structures were observed by scanning electron microscopy. The results indicate that in the presence of an applied electric field, 1‐3‐like composites with TiO2 particles in an oriented arrangement were prepared, while 0‐3 PU composites were prepared without an electric field. Dynamic viscoelasticity test results show that the PU‐TiO2 composites with a 1‐3‐like structure have a higher storage and loss modulus. The creep properties of these two kinds of PU composites were measured and further fitted with a Findley power law and Weibull model. It was found that the creep resistance and recovery properties of the PU composites were enhanced by the anisotropic structures of the filler particles in the matrix. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47450.
Influence of highly dispersible silica filler on the physical properties, tearing energy, and abrasion resistance of tire tread compound
Authors: Bhattacharyya Sanjay , Lodha Vivekanda , Dasgupta Saikat , Mukhopadhyay Rabindra , Guha Abhilash , Sarkar Preetom , Saha Tuhin , Bhowmick Anil K.
Published: January 2019

Rubber industry is facing a stiff challenge in the years to come. There are rising price for fossil fuel and shortage of resources. There is more stringent legislation to protect the environment and reduce the emission. Filler plays an important role in imparting useful properties to rubber products. In this article, the effects of new generation filler, on the physical properties, tearing energy, and abrasion resistance were investigated. The new generation filler, highly dispersible silica, has a dibutyl phthalate (DBP) absorption value of more than 180cc 100 g−1, more branched structure and relatively higher amount of small aggregates. Four different loadings of silica (up to 45 phr) were investigated. With increasing filler loading, the tensile strength and modulus at 300% elongation increased and the elongation‐at‐break decreased. The rebound resilience decreased and tan delta value improved with increasing silica content. The abradability continuously decreased with concomitant increase in the side coefficient force. The fatigue resistance was found to be better at higher silica loading. The silica particles due to its surface structure helps in crack arresting. The abradibility was related to tearing energy, loss modulus, and breaking energy. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47560.
Environmental DNA as a non‐invasive sampling tool to detect the spawning distribution of European anadromous shads (Alosa spp.)
Authors: Antognazza Caterina Maria , Britton J. Robert , Potter Caitlin , Franklin Elizabeth , Hardouin Emilie A. , Gutmann Roberts Catherine , Aprahamian Miran , Andreou Demetra
Published: January 2019

Populations of the European shads Alosa alosa (Linnaeus, 1758) and Alosa fallax Lacépède, 1800 (Alosa spp.) are protected under legislation because of their vulnerability to human disturbances. In particular, river impoundments block their upstream migration, preventing access to spawning areas. Knowledge on the spatial extent of their spawning is important for informing conservation and river management plans.

Determining the spatial extent of Alosa spp. spawning is challenging. They enter rivers over a 2‐3‐month period and the species potentially migrate different distances upstream. Capture and handling can be problematic, spawning events generally occur at night, and kick‐sampling for eggs is limited to shallow water. Assessing their spatial extent of spawning could, however, incorporate non‐invasive sampling tools, such as environmental DNA (eDNA).

An eDNA assay for Alosa spp. was successfully developed, based on the cytochrome c oxidase subunit I gene segment and quantitative polymerase chain reaction (qPCR). Application in spring 2017 to the River Teme (River Severn catchment, western England) revealed high sensitivity in both laboratory and field trials. Field data indicated Alosa spp. spawning between May and June, with migrants mainly restricted to areas downstream of the final impoundment.

eDNA can thus be used as a non‐invasive sampling tool to determine the freshwater distribution of these fishes in Europe, enhancing their conservation at local and regional scales.
Identifying author heritage using surname data: An application for Russian surnames
Authors: Karaulova Maria , Gök Abdullah , Shapira Philip
Published: January 2019

This research article puts forward a method to identify the national heritage of authors based on the morphology of their surnames. Most studies in the field use variants of dictionary‐based surname methods to identify ethnic communities, an approach that suffers from methodological limitations. Using the public file of ORCID (Open Researcher and Contributor ID) identifiers in 2015, we developed a surname‐based identification method and applied it to infer Russian heritage from suffix‐based morphological regularities. The method was developed conceptually and tested in an undersampled control set. Identification based on surname morphology was then complemented by using first‐name data to eliminate false‐positive results. The method achieved 98% precision and 94% recall rates—superior to most other methods that use name data. The procedure can be adapted to identify the heritage of a variety of national groups with morphologically regular naming traditions. We elaborate on how the method can be employed to overcome long‐standing limitations of using name data in bibliometric datasets. This identification method can contribute to advancing research in scientific mobility and migration, patenting by certain groups, publishing and collaboration, transnational and scientific diaspora links, and the effects of diversity on the innovative performance of organizations, regions, and countries.
Optimal harvesting policy of an inland fishery resource under incomplete information
Authors: Yoshioka Hidekazu , Yaegashi Yuta , Yoshioka Yumi , Tsugihashi Kentaro
Published: January 2019

A new mathematical model for finding the optimal harvesting policy of an inland fishery resource under incomplete information is proposed in this paper. The model is based on a stochastic control formalism in a regime‐switching environment. The incompleteness of information is due to uncertainties involved in the body growth rate of the fishery resource: a key biological parameter. Finding the most cost‐effective harvesting policy of the fishery resource ultimately reduces to solving a terminal and boundary value problem of a Hamilton‐Jacobi‐Bellman equation: a nonlinear and degenerate parabolic partial differential equation. A simple finite difference scheme for solving the equation is then presented, which turns out to be convergent and generates numerical solutions that comply with certain theoretical upper and lower bounds. The model is finally applied to the management of Plecoglossus altivelis, a major inland fishery resource in Japan. The regime switching in this case is due to the temporal dynamics of benthic algae, the main food of the fish. Model parameter values are identified from field measurement results in 2017. Our computational results clearly show the dependence of the optimal harvesting policy on the river environmental and biological conditions. The proposed model would serve as a mathematical tool for fishery resource management under uncertainties.
Cycle‐dependent Microstructural Changes of Silicon‐Carbon Composite Anodes for Lithium‐Ion Batteries
Authors: Sohn Myungbeom , Lee Dong Geun , Chung Dong Jae , Kim Ayoung , Kim Hansu
Published: January 2019

Si‐based high capacity anodes are of the utmost importance for advancing energy density of lithium‐ion batteries. The major shortcoming of Si‐based anodes, however, is their poor cycle performance. To solve this problem, it is essential to understand the failure mechanisms of both the Si‐based anodes. In this work, we observe the cycle‐dependent microstructural evolution of a SiC composite/graphite‐blended electrode using ex situ scanning electron microscopy observations and corresponding cross‐sectional elemental mapping images. We reveal that the Si particles become finer and spread through the whole electrode and act as an electrochemically active site for electrolyte decomposition reactions. This forms a solid electrolyte interphase layer on the surface of the Si particles during cycling. The resulting electrolyte decomposition products surrounding the Si particles are finely spread throughout the whole blended electrode. This cycle‐dependent microstructural change is one of the main reasons for the poor capacity retention of the blended electrode.
Guanidinium‐based Organocatalyst for CO2 Utilization under Mild Conditions
Authors: Seo Hyun‐Seok , Kim Hae‐Jo
Published: January 2019

A stable guanidinium‐based organocatalyst was prepared for carbon dioxide capture, which produced useful cyclic carbonates from epoxides under mild conditions. The catalyst was assumed to undergo the cyclic carbonate formation through a route of the nucleophilic activation mechanism.
OligoCOOL: A mobile application for nucleotide sequence analysis
Authors: Khorsand Babak , Khammari Anahita , Shirvanizadeh Niloofar , Zahiri Javad , Arab Seyed Shahriar
Published: January 2019

Today smartphones are inseparable parts of modern life and are capable of performing many desktop computers' tasks such as scientific analysis with greater convenience. Here, we present OligoCOOL, which is an Android application for analyzing nucleic sequences. This application enables users to perform several common biomedical analyses for a given nucleotide sequence. OligoCOOL is a freely accessible Android app at http://bioinf.modares.ac.ir/software/OligoCOOL, which can be a suitable tool for the experimental design in the laboratories. This application also can be used to learn the basics of nucleotide sequence analysis. © 2019 International Union of Biochemistry and Molecular Biology, 47(2): 201–206, 2019.
Proposed changes to Title IX regs likely to impact higher ed attorneys
Authors: Teeter Derek
Published: January 2019

The Department of Education recently released its long‐awaited proposal for new Title IX regulations. As widely anticipated, the proposed regulations effectively reverse many elements of the Obama administration's Title IX guidance for responding to sexual misconduct and impose new mandates for live hearings and cross‐examination that will require an overhaul of institutional processes.
Relationship of left ventricular end‐diastolic pressure with extent of myocardial ischemia, myocardial salvage and long‐term outcome in patients with ST‐segment elevation myocardial infarction
Authors: Ndrepepa Gjin , Cassese Salvatore , Hashorva Desard , Kufner Sebastian , Xhepa Erion , Hasimi Endri , Fusaro Massimiliano , Laugwitz Karl‐Ludwig , Schunkert Heribert , Kastrati Adnan
Published: January 2019

Objectives

We aimed to assess the association of left ventricular end‐diastolic pressure (LVEDP) with myocardial salvage and long‐term mortality in ST‐segment elevation myocardial infarction (STEMI) patients undergoing primary percutaneous coronary intervention (PCI).

Background

The association of LVEDP with myocardial salvage or long‐term mortality in patients with STEMI has not been investigated.

Methods

This study included 1,312 patients with STEMI undergoing primary PCI between 2002 and 2007. LVEDP was measured at the time of intervention. Patients were divided into three groups: a group with LVEDP in the 1st tertile (LVEDP, 4–19 mmHg; n = 496), a group with LVEDP in the 2nd tertile (LVEDP >19–24 mmHg; n = 410) and a group with LVEDP in the 3rd tertile (LVEDP >24–45 mmHg; n = 406). The primary outcome was 8‐year cardiac mortality.

Results

The primary outcome (cardiac deaths) occurred in 114 patients. Deaths occurred in 26 (7.9%), 36 (11.5%), and 52 (16.4%) patients with LVEDP in the 1st to 3rd tertiles, respectively (adjusted hazard ratio = 1.18, 95% confidence interval 1.02–1.36, P = 0.022, for 5 mmHg increment in the LVEDP values). LVEDP correlated with the extent of myocardial ischemia (R = 0.351; P < 0.001). In patients with LVEDP in the 1st to 3rd tertiles, the salvage index (proportion of initial area at risk salvaged) was 0.53 [0.27–0.84], 0.53 [0.28–0.80], and 0.43 [0.18–0.75], respectively (P = 0.012). After adjustment, LVEDP correlated inversely with myocardial salvage (P < 0.001).

Conclusions

In patients with STEMI, elevated LVEDP correlated with the extent of myocardial ischemia, reduced myocardial salvage and increased risk of 8‐year cardiac mortality.
Thermal Activation of CH4 and H2 as Mediated by the Ruthenium Oxide Cluster Ions [RuOx]+ (x=1–3): On the Influence of Oxidation States
Authors: Sun Xiaoyan , Zhou Shaodong , Yue Lei , Schlangen Maria , Schwarz Helmut
Published: January 2019

Thermal gas‐phase reactions of the ruthenium‐oxide clusters [RuOx]+ (x=1–3) with methane and dihydrogen have been explored by using FT‐ICR mass spectrometry complemented by high‐level quantum chemical calculations. For methane activation, as compared to the previously studied [RuO]+/CH4 couple, the higher oxidized Ru systems give rise to completely different product distributions. [RuO2]+ brings about the generations of [Ru,O,C,H2]+/H2O, [Ru,O,C]+/H2/H2O, and [Ru,O,H2]+/CH2O, whereas [RuO3]+ exhibits a higher selectivity and efficiency in producing formaldehyde and syngas (CO+H2). Regarding the reactions with H2, as compared to CH4, both [RuO]+ and [RuO2]+ react similarly inefficiently with oxygen‐atom transfer being the main reaction channel; in contrast, [RuO3]+ is inert toward dihydrogen. Theoretical analysis reveals that the reduction of the metal center drives the overall oxidation of methane, whereas the back‐bonding orbital interactions between the cluster ions and dihydrogen control the H−H bond activation. Furthermore, the reactivity patterns of [RuOx]+ (x=1–3) with CH4 and H2 have been compared with the previously reported results of Group 8 analogues [OsOx]+/CH4/H2 (x=1–3) and the [FeO]+/H2 system. The electronic origins for their distinctly different reaction behaviors have been addressed.
Catalysis Concepts in Medicinal Inorganic Chemistry
Authors: Alonso‐de Castro Silvia , Terenzi Alessio , Gurruchaga‐Pereda Juan , Salassa Luca
Published: January 2019

Catalysis has strongly emerged in the field of medicinal inorganic chemistry as a suitable tool to deliver new drug candidates and to overcome drawbacks associated to metallodrugs. In this Concept article, we discuss representative examples of how catalysis has been applied in combination with metal complexes to deliver new therapy approaches. In particular, we explain key achievements in the design of catalytic metallodrugs that damage biomolecular targets and in the development of metal catalysis schemes for the activation of exogenous organic prodrugs. Moreover, we discuss our recent discoveries on the flavin‐mediated bioorthogonal catalytic activation of metal‐based prodrugs; a new catalysis strategy in which metal complexes are unconventionally employed as substrates rather than catalysts.
Modelling hierarchical clustered censored data with the hierarchical Kendall copula
Authors: Su Chien‐Lin , Nešlehová Johanna G. , Wang Weijing
Published: January 2019

This article proposes a new model for right‐censored survival data with multi‐level clustering based on the hierarchical Kendall copula model of Brechmann (2014) with Archimedean clusters. This model accommodates clusters of unequal size and multiple clustering levels, without imposing any structural conditions on the parameters or on the copulas used at various levels of the hierarchy. A step‐wise estimation procedure is proposed and shown to yield consistent and asymptotically Gaussian estimates under mild regularity conditions. The model fitting is based on multiple imputation, given that the censoring rate increases with the level of the hierarchy. To check the model assumption of Archimedean dependence, a goodness‐of test is developed. The finite‐sample performance of the proposed estimators and of the goodness‐of‐fit test is investigated through simulations. The new model is applied to data from the study of chronic granulomatous disease. The Canadian Journal of Statistics 47: 182–203; 2019 © 2019 Statistical Society of Canada
Are we listening to everything the PARK genes are telling us?
Authors: Benson Deanna L. , Huntley George W.
Published: January 2019

The cardinal motor symptoms that define Parkinson's disease (PD) clinically have been recognized for over 200 years. That these symptoms arise following the loss of dopamine neurons in the substantia nigra has been known for the last 50. These long‐established facts have fueled a broadly held expectation that degenerating dopaminergic neurons alone hold the key to understanding and curing PD. This prevalent expectation is at odds with the observation that many nonmotor symptoms, including depression and cognitive inflexibility among others, can appear years earlier than the overt dopaminergic neuron degeneration that drives motor abnormalities and are not improved by levodopa treatment. Thus, preserving or rescuing dopamine neuron health and function is of paramount importance, but this alone fails to capture the underlying neurobiology of earlier‐appearing nonmotor symptoms. Insight into the complete landscape of disease‐related abnormalities and the context in which they arise can be gleaned from a more comprehensive consideration of the PARK genes that are known to cause PD. Here, we make the case that a full incorporation of research showing when and where PARK genes are expressed as well as the impact of gene mutation on function throughout life, in tandem with research studying how dopaminergic neuron degeneration begins, is essential for a full understanding of the multi‐dimensional etiology of PD. A broad view may also reveal something about long‐term adjustments cells and systems make in response to gene mutation and help to identify mechanisms conferring the resilience or susceptibility of some cells and systems over others.
Anticonvulsant evaluation and docking analysis of VV‐Hemorphin‐5 analogues
Authors: Todorov Petar , Rangelov Miroslav , Peneva Petia , Todorova Nadezhda , Tchekalarova Jana
Published: January 2019

VV‐Hemorphin‐5 is an endogenous opioid peptide of the Hemorphin family with affinity at opioid receptors. A series of C‐amide analogues have been synthesized, based on the structure of VV‐Hemorphin‐5, modified at position 1 and 7 by the un/natural amino acids (Aa8‐Val‐Val‐Tyr‐Pro‐Trp‐Thr‐Gln‐NH2 and Val‐Val‐Tyr‐Pro‐Trp‐Thr‐Aa1‐NH2) using SPPS, Fmoc‐chemistry. The peptide derivatives were evaluated for their anticonvulsant activity in three acute seizure tests in male ICR mice, the maximal electroshock (MES), the 6 Hz psychomotor seizure test, and the timed intravenous pentylenetetrazole (ivPTZ) infusion test. Their neurotoxicity was assessed in the rotarod test. Among the tested peptide analogues, V4 showed anticonvulsant activity in the three seizure tests that was comparable to the VV‐Hemorphin‐5 (V1) used as a positive control. While V5, V6, and V7 peptide derivatives exhibited anticonvulsant activity in the MES and 6 Hz test, they were inactive (V7) or showed pro‐convulsant effect (V5 and V6) in the i.v. PTZ test. At a dose of 10 μg/mouse the peptide V2 was effective against clonic seizures induced by PTZ. Motor coordination was not affected by newly developed analogues of VV‐Hemorphin‐5. Docking study results suggest that kappa opioid receptor binding could be the mechanism of action of peptide derivatives with anticonvulsant activity. The results suggest that incorporation of nonproteinogenic and/or natural amino acids at position 1 and 7 of the VV‐Hemorphin‐5 scaffold deserve further evaluation in models of epilepsy and derivatization.
Drought‐mediated extinction of an arid‐land amphibian: insights from a spatially explicit dynamic occupancy model
Authors: Zylstra Erin R. , Swann Don E. , Hossack Blake R. , Muths Erin , Steidl Robert J.
Published: January 2019

Understanding how natural and anthropogenic processes affect population dynamics of species with patchy distributions is critical to predicting their responses to environmental changes. Despite considerable evidence that demographic rates and dispersal patterns vary temporally in response to an array of biotic and abiotic processes, few applications of metapopulation theory have sought to explore factors that explain spatiotemporal variation in extinction or colonization rates. To facilitate exploring these factors, we extended a spatially explicit model of metapopulation dynamics to create a framework that requires only binary presence–absence data, makes few assumptions about the dispersal process, and accounts for imperfect detection. We apply this framework to 22 yr of biannual survey data for lowland leopard frogs,Lithobates yavapaiensis, an amphibian that inhabits arid stream systems in the southwestern United States and northern Mexico. Our results highlight the importance of accounting for factors that govern temporal variation in transition probabilities, as both extinction and colonization rates varied with hydrologic conditions. Specifically, local extinctions were more frequent during drought periods, particularly at sites without reliable surface water. Colonization rates increased when larval and dispersal periods were wetter than normal, which increased the probability that potential emigrants metamorphosed and reached neighboring sites. Extirpation of frogs from all sites in one watershed during a period of severe drought demonstrated the influence of site‐level features, as frogs persisted only in areas where most sites held water consistently and where the amount of sediment deposited from high‐elevation wildfires was low. Application of our model provided novel insights into how climate‐related processes affected the distribution and population dynamics of an arid‐land amphibian. The approach we describe has application to a wide array of species that inhabit patchy environments, can improve our understanding of factors that govern metapopulation dynamics, and can inform strategies for conservation of imperiled species.
Symbiont‐mediated chemical defense in the invasive ladybird Harmonia axyridis
Authors: Schmidtberg Henrike , Shukla Shantanu P. , Halitschke Rayko , Vogel Heiko , Vilcinskas Andreas
Published: January 2019

The volatile alkylpyrazines methyl‐ and methoxypyrazines (MPs) present in the reflex bleeds of coccinellid beetles such as the harlequin ladybird beetle Harmonia axyridis are important semiochemicals that function in antipredatory defense behavior. Pyrazines have also been coadapted from a primarily defensive role into pheromones that function in intraspecific communication, attraction, and aggregation behavior. However, the biosynthesis of MPs in ladybird beetles is poorly understood. Here, we tested the hypothesis that MPs could be produced by microbial symbionts in H. axyridis, which generates four different MPs. The evaluation of tissue‐specific MP production showed that MP concentrations were highest in the gut tissue and hemolymph of the beetles rather than the fat body tissue as the presumed site of MP biosynthesis. Furthermore, manipulation of gut microbiota by antibiotic‐containing diets resulted in a lower MP content in adult beetles. The analysis of the bacterial community of the digestive tract revealed the presence of bacteria of the genera Serratia and Lactococcus which are reportedly able to produce MPs. In line with the known diet‐dependent production of MP in H. axyridis, we determined that the presence or relative abundance of some of the potential MP producers (Enterococcus and Staphylococcus) is also diet‐dependent. We hypothesize a potential role of the microbiota in MP production in H. axyridis as a possible example for outsourcing the synthesis of ecologically important semiochemicals to its gut bacteria.
Joint knowledge production for improved climate services: Insights from the Swedish forestry sector
Authors: Gerger Swartling Åsa , Tenggren Sandra , André Karin , Olsson Olle
Published: January 2019

Science‐stakeholder collaboration is becoming an increasingly common way to address mismatches between the knowledge needs of stakeholders and the research being done by scientists. This kind of mismatch is clearly evident in the field of climate change adaptation, arguing for the design and application of user‐ and decision‐driven, coproduced climate services. Science‐based participatory processes have shown clear benefits in establishing arenas for joint knowledge production on climate change and adaptation. However, multiple challenges remain. This paper presents and discusses findings from an assessment of a participatory climate services process conducted as part of a research program on climate change adaptation in the Swedish forestry sector. We identify enablers and barriers to successful science‐stakeholder collaboration and put forward recommendations for more stakeholder‐driven, participatory coproduction processes. Our analysis offers insights that could help achieve more informed decision‐making and policy development and ultimately climate action under the Paris Agreement.
Tailoring of the Frontier Orbital Character in Co2+/3+ Complexes with Triarylamine Substituted Terpyridine Ligands
Authors: Schnaubelt Linda , Petzold Holm , Hörner Gerald , Rüffer Tobias , Klein Niels , Lang Heinrich
Published: January 2019

Tara‐decorated terpyridines 1–3 and their 1:2 Co2+ [Co(L)2](ClO4)2 (L = 1–3) and Co3+ complexes [Co(L)2](ClO4)2(SbCl6) (L = 1,3) are reported. The solid‐state complex metrics of [Co(3)2]2+ and [Co(1)2]3+ indicate an assignment as spin‐quartet Co2+ or spin‐singlet Co3+, which is in accord with DFT and 1H NMR studies. Vis‐NIR spectra of 1[Co3+(L)2]3+ show characteristic Tara→Co3+ charge‐transfer bands, giving no direct indication of L‐based oxidation events, irrespective of the solvent. Theoretical studies reveal no charge transfer induced spin transition in [Co3+(L)2]3+, although a substantial decrease of the HOMO‐LUMO gap prevails in [Co3+(1)2]3+ as compared with [Co(tpy)2]3+. The destabilisation of the HOMO is not sufficient to allow an equilibration among closed‐ and open‐shell formulations. The computed singlet‐triplet and singlet‐quintet splitting in [Co(1)2]3+ renders these open‐shell formulations to reside only moderately above the ground state. Design criteria are derived from this analysis aiming at a further stabilisation of the open‐shell species through implementation of more strongly electron releasing Tara substituents.
Controlled Encapsulation and Release of an Organic Guest in the Cavity of α,α′,δ,δ′‐Tetramethylcucurbit[6]uril
Authors: Zhang Kun , Sun Wenqi , Lin Ruilian , Xiao Xin , Bian Bing , Tao Zhu , Liu Jingxin
Published: January 2019

Binding behaviors of TMeQ[6] and Q[7] with 1‐(4‐carboxybenzyl)‐4‐[2‐(4‐pyridyl)‐vinyl]‐pyridinium chloride (guest 1) were investigated by various experimental techniques. The results indicate that TMeQ[6] can perform the encapsulation and release of guest 1, which was controlled by UV irradiation and heating through reversible trans‐cis isomerization of guest 1. In contrast, no reversible trans‐cis isomerization of guest 1 is observed when included in Q[7].