bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of Well Location for Agricultural Water Use in Coastal Areas Using OpenGeoSys
Authors: Lee Hyunjung , Lee Seungoh
Published: August 2024

The use of groundwater for agriculture and fisheries in South Korea accounts for 53% of the total annual usage and is on the rise. However, the amount of agricultural groundwater available near coastal boundaries is affected by seawater intrusion. Therefore, this study uses numerical simulations to estimate the available amount of agricultural groundwater near coastal boundaries, considering the location and depth of well installations. Increasing the horizontal distance of the well installation from the coastal boundary was demonstrated to reduce salinity intrusion concentration by approximately 20% more than adjusting the depth of well installation. This research is expected to serve as supplementary material that can be utilized when installing agricultural wells in coastal areas in the future.
Estimating Evacuation Distance, Time, and Range to Shelters Through Network Analysis
Authors: Lee Kyeongkeun , Kim Tae-Hyung , Jung Hyuk-Sang , Kim Byunghyun
Published: August 2024

This study employed the QGIS spatial information analysis tool to conduct network analyses through the O-D Matrix and ISO-Area methods. These network analyses calculated travel distances and evacuation times from flooded residential buildings (evacuation start points) to shelters (evacuation end points) in the event of a reservoir collapse. Feasibility of evacuation from each residential building was assessed by comparing the evacuation time with the initial flood wave arrival and peak flood level occurrence times. Walking speeds were set based on population characteristics: 1 m/s for children and the elderly and 2 m/s for adults (fast walking). Using a walking speed of 1 m/s, evacuation zones were established at 300-meter intervals, representing a 5-minute walking distance for each shelter. The resident population per building was estimated to determine the number of evacuees, and shelter capacity was calculated based on the required space per person.
Analysis of Nationwide Steep Slope Survey Results for the Proposal of Improvement Measures in Korea
Authors: Choi Jung-Ryel , Kwak Jae-Hwan , Kim Young-Hwan , Lee Moon-Se , Lee Sang-Won
Published: August 2024

The risk and damage caused by steep slope collapses within the Korean Peninsula are increasing because of abnormal weather patterns resulting from climate change. Consequently, there is a growing need for proactive disaster management, leading to the registration and management of steep slopes prone to collapse within the jurisdiction through nationwide surveys. The necessity for domestic steep slope management has recently become apparent although the management system has some issues in establishing and refining it to reflect reality. In this study, the appropriateness of the results obtained from the 2022 nationwide survey of steep slope areas was evaluated utilizing the characteristics of steep slopes (types, structures, heights, lengths, slopes, and landowners.), disaster risk (disaster risk grades and risk factors), and risk mitigation measures (structural and nonstructural), to propose improvement measures. Through this, we identified problems with the methodology for selecting target areas, funding for steep slope management, impact assessment of disasters, and results of reviewing non-structural measures, thereby proposing improvements in the management of privately owned steep-slope areas. By improving the survey system, which is an essential element for responding to steep slope disasters, to reflect reality, the costs of damage and recovery caused by steep-slope collapses are expected to significantly decrease.
Gas hydrate dissociation prolongs acidification of the Anthropocene oceans
Authors: Boudreau Bernard P. , Luo Yiming , Meysman Filip J. R. , Middelburg Jack J. , Dickens Gerald R.
Published: October 2015

Anthropogenic warming of the oceans can release methane (CH4) currently stored in sediments as gas hydrates. This CH4 will be oxidized to CO2, thus increasing the acidification of the oceans. We employ a biogeochemical model of the multimillennial carbon cycle to determine the evolution of the oceanic dissolved carbonate system over the next 13 kyr in response to CO2 from gas hydrates, combined with a reasonable scenario for long‐term anthropogenic CO2 emissions. Hydrate‐derived CO2 will appreciably delay the neutralization of ocean acidity and the return to preindustrial‐like conditions. This finding is the same with CH4 release and oxidation in either the deep ocean or the atmosphere. A change in CaCO3 export, coupled to CH4 release, would intensify the transient rise of the carbonate compensation depth, without producing any changes to the long‐term evolution of the carbonate system. Overall, gas hydrate destabilization implies a moderate additional perturbation to the carbonate system of the Anthropocene oceans.
The collapse of the midnight ionosphere and behavior of meridional neutral winds at Townsville over a full solar cycle
Authors: Dandenault P. B. , Richards P. G.
Published: October 2015

This paper investigates the causes of the sudden descent (midnight collapse) of the ionosphere at Townsville, Australia, during the equinox periods of years between 1970 and 1980. The collapse of hmF2 at midnight is found to occur on 89% of the 330 equinox nights that are investigated, and the mean magnitude of the midnight collapse is 84 km in the March equinox periods and 99 km in the September equinox periods. Observations of hmF2 are used to determine equivalent meridional neutral winds using a first principles physics model. Harmonic analysis of these derived winds reveals the existence of significant diurnal (24 h), semidiurnal (12 h), and terdiurnal (8 h) tidal components. The contribution of wind harmonics to the midnight collapse is determined by band‐pass filtering the winds to only allow certain tides and then modeling their effect on hmF2 near midnight. The results indicate that the diurnal, semidiurnal, and terdiurnal components of the meridional neutral wind all play a significant role at various times, but the effect of the 6 h wind component is minimal. The spectral analysis also reveals that the terdiurnal wind component becomes dominant during solar maximum. Electric fields do not appear to be responsible for the midnight hmF2 collapse because it is seldom seen at the near‐conjugate station of Akita, Japan.
Interfacial tension‐driven relaxation of magma foam: An experimental study
Authors: Otsuki Shizuka , Nakamura Michihiko , Okumura Satoshi , Sasaki Osamu
Published: October 2015

To improve our understanding of permeability evolution of magmas in a shallow volcanic conduit, we experimentally investigated the interfacial tension‐driven microstructural relaxation of foamed magma. By heating pumice cubes at temperatures of 800–1000°C and ≤6 MPa vapor pressure, we simulated magmas in interexplosion periods of vulcanian activity, including magmatic clasts welding within a shallow conduit. Outlines and internal pore microstructures of run products relaxed significantly in 3–5 and 30 min at 1000 and 900°C, respectively. In addition, self‐contraction was caused by the expulsion of pores connected to sample surfaces. As a result of self‐contraction, the porosity of 3 mm side pumice cubes decreased from 72 to 15% in 8 h at 900°C. For larger starting materials (9 mm side pumice cubes), multiple‐contraction units formed melt globs, which promoted the formation of connected pores with concave outward shapes between globs. In contrast to the interbubble network, such pores are expected to maintain high permeability on a macroscopic scale; therefore, magma outgassing could be facilitated. These interglob pores were pinched off due to gravitational compaction after 8–32 h at 1000°C. The rapid and drastic changes in pore microstructures via relaxation, contraction, and compaction processes may be responsible for vent plugging during vulcanian explosion cycles.
Modeling comprehensive chemical composition of weathered oil following a marine spill to predict ozone and potential secondary aerosol formation and constrain transport pathways
Authors: Drozd Greg T. , Worton David R. , Aeppli Christoph , Reddy Christopher M. , Zhang Haofei , Variano Evan , Goldstein Allen H.
Published: October 2015

Releases of hydrocarbons from oil spills have large environmental impacts in both the ocean and atmosphere. Oil evaporation is not simply a mechanism of mass loss from the ocean, as it also causes production of atmospheric pollutants. Monitoring atmospheric emissions from oil spills must include a broad range of volatile organic compounds (VOC), including intermediate‐volatile and semivolatile compounds (IVOC, SVOC), which cause secondary organic aerosol (SOA) and ozone production. The Deepwater Horizon (DWH) disaster in the northern Gulf of Mexico during Spring/Summer of 2010 presented a unique opportunity to observe SOA production due to an oil spill. To better understand these observations, we conducted measurements and modeled oil evaporation utilizing unprecedented comprehensive composition measurements, achieved by gas chromatography with vacuum ultraviolet time of flight mass spectrometry (GC‐VUV‐HR‐ToFMS). All hydrocarbons with 10–30 carbons were classified by degree of branching, number of cyclic rings, aromaticity, and molecular weight; these hydrocarbons comprise ∼70% of total oil mass. Such detailed and comprehensive characterization of DWH oil allowed bottom‐up estimates of oil evaporation kinetics. We developed an evaporative model, using solely our composition measurements and thermodynamic data, that is in excellent agreement with published mass evaporation rates and our wind‐tunnel measurements. Using this model, we determine surface slick samples are composed of oil with a distribution of evaporative ages and identify and characterize probable subsurface transport of oil.
Coupled surface‐subsurface hydrologic measurements reveal infiltration, recharge, and discharge dynamics across the swash zone of a sandy beach
Authors: Heiss James W. , Puleo Jack A. , Ullman William J. , Michael Holly A.
Published: October 2015

Swash‐groundwater interactions affect the biogeochemistry of beach aquifers and the transport of solutes and sediment across the beachface. Improved understanding of the complex, coupled dynamics of surface and subsurface flow processes in the swash zone is required to better estimate chemical fluxes to the sea and predict the morphological evolution of beaches. Simultaneous high‐frequency measurements of saturation, water table elevation, and the cross‐shore locations of runup and the boundary between the saturated and unsaturated beachface (surface saturation boundary) were collected on a sandy beach to link groundwater flow dynamics with swash zone forcing. Saturation and lysimeter measurements showed the dynamic response of subsurface saturation to swash events and permitted estimation of infiltration rates. Surface and subsurface observations revealed a decoupling of the surface saturation boundary and the intersection between the water table and the beachface. Surface measurements alone were insufficient to delineate the infiltration and discharge zones, which moved independently of the surface saturation boundary. Results show for the first time the motion and areal extent of infiltration and recharge zones, and constrain the maximum size of the subaerial discharge zone over swash and tidal time scales. The width of the infiltration zone was controlled by swash processes, and subaerial discharge was controlled primarily by tidal processes. These dynamics reveal the tightly coupled nature of surface and subsurface processes over multiple time scales, with implications for sediment transport and fluid and solute fluxes through the hydrologically and biogeochemically active intertidal zone of sandy beaches.
Experimental study on nonmonotonicity of Capillary Desaturation Curves in a 2‐D pore network
Authors: Rodríguez de Castro Antonio , Shokri Nima , Karadimitriou Nikolaos , Oostrom Mart , Joekar‐Niasar Vahid
Published: October 2015

Immiscible displacement in porous media is important in many applications such as soil remediation and enhanced oil recovery. When gravitational forces are negligible, two‐phase immiscible displacement at the pore level is controlled by capillary and viscous forces whose relative importance is quantified through the dimensionless capillary number Ca and the viscosity ratio M between liquid phases. Depending on the values of Ca and M, capillary fingering, viscous fingering, or stable displacement may be observed resulting in a variety of patterns affecting the phase entrapment. The Capillary Desaturation Curve (CDC), which represents the relationship between the residual oil saturation and Ca, is an important relation to describe the phase entrapment at a given Ca. In the present study, we investigated the CDC as influenced by the viscosity ratio. To do so, we have conducted a comprehensive series of experiments using a high‐resolution microscope and state‐of‐art micromodels to investigate the dynamics and patterns of phase entrapment at different Ca and M. By postprocessing of the experimental high‐resolution images, we calculated the CDC and quantified the effects of the Ca and M on the phase entrapment and number of blobs trapped in the micromodel and their size distributions during immiscible two‐phase flow. Our results show that CDCs are not necessarily monotonic for all M, and the physical mechanisms causing this nonmonotonic behavior are discussed.
Tails of Three Knotty Switches: HowPreQ1Riboswitch Structures Control Protein Translation
Authors: Belashov Ivan A , Dutta Debapratim , Salim Mohammad , Wedekind Joseph E
Published: October 2015

Riboswitches are structured RNA molecules that regulate genes by sensing cellular levels of metabolites such as preQ1(7‐aminomethyl‐7‐deazaguanine). This economical platform is found predominantly in the 5′‐leader sequences of bacterial mRNAs, attracting attention as a potential antibiotic target. Members of the preQ1riboswitch family provide exemplary insights into translational regulation because their high‐resolution structures have been determined, providing a framework to interpret complementary single‐molecule, computational and biochemical analyses. Although class I and II preQ1riboswitches possess divergent pseudoknot architectures, both appear to function by burying the Shine‐Dalgarno sequence (SDS) within a core aptamer domain upon preQ1binding. By contrast, the class III preQ1riboswitch binds its ligand in an aptamer distant from the SDS. PreQ1binding increases the population of riboswitches that transiently sequester the SDS, representing an alternative regulatory paradigm. Progress on preQ1riboswitches is described, along with expectations for interfacing a riboswitch with the ribosome for translation initiation.

Key Concepts

Riboswitches are structured non‐protein‐coding RNAs that bind small molecules, tRNA or ions to control gene expression without the need for proteins.

Riboswitches bind protein enzyme co‐factors suggesting that they are remnants of an ancient RNA world.

Three classes of riboswitches bind the metabolite prequeuosine1(preQ1), a pyrrolopyrimidine made exclusively in bacteria as a precursor to the hypermodified base queuosine, which is used widely in the biosphere to confer translational fidelity.

PreQ1riboswitches adopt pseudoknot folds in which ligand binding stabilises coaxial helical stacking.

High‐resolution structures of class I, II and III preQ1riboswitches reveal their overall three‐dimensional folds, along with chemical details that explain their high‐affinity ligand binding.

Structural observations suggest that riboswitches co‐opt traditional RNA tertiary interactions, such as major‐groove base‐triples and A‐minor motifs, for specialised biological functions.

Class I and II preQ1riboswitches integrate Shine‐Dalgarno sequences (SDS) into their aptamer cores, producing gene off states in response to preQ1binding.

Class III preQ1riboswitches fold with spatially disparate aptamer and expression platform sequences that do not commingle in response to ligand binding.

Single‐molecule fluorescence resonance energy transfer (smFRET) provides insight into ligand‐dependent conformational changes of preQ1riboswitches that control gene expression.

Modelling suggests that the class II preQ1riboswitch must unfold only its anti‐SDS⋅SDS helix to interact with the 16S ribosomal RNA.
Evolution of Microalgae and Their Adaptations in Different Marine Ecosystems
Authors: Hopes Amanda , Mock Thomas
Published: October 2015

Microalgae are unicellular eukaryotic organisms that are predominantly photosynthetic. They are found in a wide range of habitats, particularly marine ecosystems, and are responsible for a significant portion of the oceans biogeochemical cycling. Microalgae have a varied evolutionary history with genes derived from photosynthetic organisms, heterotrophic eukaryotes and bacteria. This has led to a wide range of adaptations, allowing them to thrive in a variety of conditions. Microalgae in coastal regions are adapted to turbulence, high nutrients and low light whilst open ocean microalgae have to contend with high irradiance and low nutrient concentrations. Polar microalgae are adapted to freezing temperatures, high nutrients and long periods of light and darkness. Microalgae genomes and transcriptomes uncover and interpret these adaptations, providing information on how microalgae have become a dominant force within marine ecosystems.

Key Concepts

Microalgae are very diverse and species rich

Microalgae are adapted to diverse environments

Microalgae have complex evolutionary origins

Microalgae significantly contribute to the global carbon cycle on Earth

Marine microalgae are the base of the marine food web
Thermally Controlled, Patterned Graphene Transfer Printing for Transparent and Wearable Electronic/Optoelectronic System
Authors: Choi Moon Kee , Park Inhyuk , Kim Dong Chan , Joh Eehyung , Park Ok Kyu , Kim Jaemin , Kim Myungbin , Choi Changsoon , Yang Jiwoong , Cho Kyoung Won , Hwang Jae‐Ho , Nam Jwa‐Min , Hyeon Taeghwan , Kim Ji Hoon , Kim Dae‐Hyeong
Published: October 2015

Graphene has been highlighted as a platform material in transparent electronics and optoelectronics, including flexible and stretchable ones, due to its unique properties such as optical transparency, mechanical softness, ultrathin thickness, and high carrier mobility. Despite huge research efforts for graphene‐based electronic/optoelectronic devices, there are remaining challenges in terms of their seamless integration, such as the high‐quality contact formation, precise alignment of micrometer‐scale patterns, and control of interfacial‐adhesion/local‐resistance. Here, a thermally controlled transfer printing technique that allows multiple patterned‐graphene transfers at desired locations is presented. Using the thermal‐expansion mismatch between the viscoelastic sacrificial layer and the elastic stamp, a “heating and cooling” process precisely positions patterned graphene layers on various substrates, including graphene prepatterns, hydrophilic surfaces, and superhydrophobic surfaces, with high transfer yields. A detailed theoretical analysis of underlying physics/mechanics of this approach is also described. The proposed transfer printing successfully integrates graphene‐based stretchable sensors, actuators, light‐emitting diodes, and other electronics in one platform, paving the way toward transparent and wearable multifunctional electronic systems.
Macroscopic Supramolecular Assembly to Fabricate 3D Ordered Structures: Towards Potential Tissue Scaffolds with Targeted Modification
Authors: Cheng Mengjiao , Wang Yue , Yu Lingling , Su Haijia , Han Weidong , Lin Zaifu , Li Jianshu , Hao Haojie , Tong Chuan , Li Xiaolei , Shi Feng
Published: October 2015

3D ordered structures beyond microscale with targeted modification are catching increasing attention due to its application as tissue scaffolds. Especially scaffolds with necessary growth factors at designated locations are meaningful for induced cell differentiation and tissue formation. However, few fabrication methods can address the challenge of introducing bioactive species to the interior targeted places during the preparation process. Herein, for the first time macroscopic supramolecular assembly is applied to obtain such 3D ordered structures and established a proof‐of‐concept idea of complex scaffold with targeted modification. Taking strip‐like polydimethylsilicon building block as a model system, microscaled multilayered structures have been fabricated with parallel aligned building blocks in each layer. The morphology can be adjusted in a flexible way by tuning the number of layer, the space between two adjacent building blocks, and the position and orientation of each PDMS. The as‐prepared 3D structures are demonstrated biocompatible and potential as scaffolds for 3D cell culture. Moreover, bioactive species can be in situ incorporated into designated locations within the 3D structure precisely. In this way, a novel strategy is provided to address the current challenges in fabricating complex 3D tissue scaffolds with localized protein for future induced cell differentiation.
Hybrid Optical Fibers – An Innovative Platform for In‐Fiber Photonic Devices
Authors: Alexander Schmidt Markus , Argyros Alexander , Sorin Fabien
Published: October 2015

The field of hybrid optical fibers is one of the most active research areas in current fiber optics and has the vision of integrating sophisticated materials inside fibers, which are not traditionally used in fiber optics. Novel in‐fiber devices with unique properties have been developed, opening up new directions for fiber optics in fields of critical interest in modern research, such as biophotonics, environmental science, optoelectronics, metamaterials, remote sensing, medicine, or quantum optics. Here the recent progress in the field of hybrid optical fibers is reviewed from an application perspective, focusing on fiber‐integrated devices enabled by including novel materials inside polymer and glass fibers. The topics discussed range from nanowire‐based plasmonics and hyperlenses, to integrated semiconductor devices such as optoelectronic detectors, and intense light generation unlocked by highly nonlinear hybrid waveguides.
Charge Transfer and Percolation in C60/Pentacene Field‐Effect Transistors
Authors: Kyndiah Adrica , Cramer Tobias , Albonetti Cristiano , Liscio Fabiola , Chiodini Stefano , Murgia Mauro , Biscarini Fabio
Published: October 2015

Charge transfer at organic‐organic heterojunctions is fundamental to several organic electronics devices, including light‐emitting diodes, photovoltaic cells, light‐emitting transistors, and ambipolar field‐effect transistors. Here, probe charge transfer (CT) processes during the formation of an organic‐organic heterojunction are probed by performing in situ real‐time electrical characterization during the growth of pentacene/C60 ambipolar transistors. N‐type C60 channel formation follows two different percolation pathways, one being associated to linear C60 structures growing along pentacene grain boundaries and the other to C60 island percolation. Upon n‐channel formation a shift of pentacene p‐type transfer characteristics is observed, which is attributed to CT across the heterojunction interface as a result of Fermi level alignment. The findings allow estimation of the energy of thermally accessible CT‐states and their mobility along the interface. Finally, a model is proposed that relates the amount of transferred charge to details in the bilayer morphology and layer thicknesses. The model relies on the capacitive coupling between C60 and pentacene in the accumulation layer, which is consistent with a single hole transport channel.
Mixed Valence Tin Oxides as Novel van der Waals Materials: Theoretical Predictions and Potential Applications
Authors: Wang Junjie , Umezawa Naoto , Hosono Hideo
Published: October 2015

Van der Waals (vdW) heterostructures, which can be assembled by combining 2D atomic crystals in a precisely chosen sequence, enable a wide range of potential applications in optoelectronics, photovoltaics, and photocatalysis. However, the difficulty of peeling isolated atomic planes and the lattice mismatch between different materials is the main obstacle to hinder vdW materials from more practical applications. In this work, the mixed valence tin oxides, SnxOy (0.5 < x/y < 1), are proposed as a new member of vdW materials and these mixed valence tin oxides show promise to overcome the above‐mentioned obstacle. Density‐functional theory calculations are combined with an evolutionary algorithm to predict the crystal structures of a series of previously reported tin oxides (Sn2O3, Sn3O4, Sn4O5, and Sn5O6), unreported compositions (Sn7O8, Sn9O10, and Sn11O12), and a new β‐SnO phase. These structures consist of β‐SnO, Sn2O3, and Sn3O4 monolayers. Their band gaps can be engineered in the 1.56–3.25 eV range by stacking the monolayers appropriately. The band gap depends linearly on the interlayer distance, as understood from interlayer Sn2+–Sn2+ and intralayer Sn2+–O interactions. SnxOy structures exhibit high photoabsorption coefficients and suitable band‐edge positions for photoexcited H2 evolution; this indicates potential for environmentally benign solar energy conversion in photovoltaic and photocatalytic applications.
Fine‐Tuning the Sn Content in CZTSSe Thin Films to Achieve 10.8% Solar Cell Efficiency from Spray‐Deposited Water–Ethanol‐Based Colloidal Inks
Authors: Larramona Gerardo , Levcenko Sergiu , Bourdais Stéphane , Jacob Alain , Choné Christophe , Delatouche Bruno , Moisan Camille , Just Justus , Unold Thomas , Dennler Gilles
Published: October 2015

Thin film solar cells with Al/ITO/ZnO/CdS/CZTSSe/Mo‐glass structure are fabricated employing a fast and low‐cost preparation procedure using an aqueous ink deposited by nonpyrolytic spray, followed by high temperature crystallization and selenization steps. Capacitance–voltage measurements on previously reported devices with >8% efficiency under 1 sun irradiation show a charge carrier density of the order of 1017 cm−3. Moreover, admittance spectroscopy indicates the presence of mid‐bandgap defects that are tentatively attributed to a Sn deficit in the film. In order to reduce the number of these deep defects within the active layer of our solar cells, the Sn content is tuned in the precursor ink. Their morphology, elemental composition, crystal phases, capacitance–voltage profiling, admittance, photoluminescence, and photovoltaic performances are characterized. The results indicate that tuning the Sn content offers a strong leverage upon some key properties of the active layer, in particular the grain size, and the charge carrier and defect density. By employing this leverage to optimize the performance of our CZTSSe layers, the cell performances are increased to 10.0% without antireflection coating (ARC) and to 10.8% (on 0.25 cm2) with an ARC.
Tunable Internal and Surface Structures of the Bifunctional Oxygen Perovskite Catalysts
Authors: Jung Jae‐Il , Park Seungkyu , Kim Min‐Gyu , Cho Jaephil
Published: October 2015

Perovskite oxide ceramics attracts significant attention as a strong candidate of bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) electrocatalyst for the metal‐air batteries. Numerous approaches to the viability of bifunctional perovskite electrocatalyst represent that the electro­chemical performance is highly correlated with defect chemistry, surface structure, and overall polycrystalline perovskite structure. By making use of the intrinsic flexibility of internal structure and high nonstoichiometry in perovskite oxide, the heat treatment effect of the complex Ba0.5Sr0.5CoxFe1‐xO3‐δ (x = 0.2 and 0.8) perovskites in argon atmosphere at 950 °C (Ar‐BSCF5582 and Ar‐BSCF5528) on the surface structure/defect chemistry and electrocatalytic performance is intensively investigated. Upon heat‐treatment in argon atmosphere, the amorphous thickness layer increases from ≈20 to 180–200 nm in BSCF5582, while there is little change in BSCF5528 with ≈20 nm. The electrocatalytic performance of BSCF5582 catalyst both in ORR and OER deteriorates seriously, while Ar‐BSCF5528 demonstrates a significant increase of electro­chemical performance in ORR. This study demonstrates that the electrochemical performances of a perovskite catalyst can be significantly determined by the simultaneous modification of both surface structure and internal defect chemistry, which are explained with transmission electron microscopy and atomic‐selective X‐ray absorption fine structure analyses, respectively.
Nicotine dependence and psychosis in Bipolar disorder and Schizoaffective disorder, Bipolar type
Authors: Estrada Elena , Hartz Sarah M. , Tran Jeffrey , Hilty Donald M. , Sklar Pamela , Smoller Jordan W. ,   Genomic Psychiatry Cohort Consortium, Pato Michele T. , Pato Carlos N.
Published: October 2015

Patients with Bipolar disorder smoke more than the general population. Smoking negatively impacts mortality and clinical course in Bipolar disorder patients. Prior studies have shown contradictory results regarding the impact of psychosis on smoking behavior in Bipolar disorder. We analyzed a large sample of Bipolar disorder and Schizoaffective disorder, Bipolar Type patients and predicted those with a history of psychosis would be more likely to be nicotine dependent. Data from subjects and controls were collected from the Genomic Psychiatry Cohort (GPC). Subjects were diagnosed with Bipolar disorder without psychosis (N = 610), Bipolar disorder with psychosis (N = 1544). Participants were classified with or without nicotine dependence. Diagnostic groups were compared to controls (N = 10065) using logistic regression. Among smokers (N = 6157), those with Bipolar disorder had an increased risk of nicotine dependence (OR = 2.5; P < 0.0001). Patients with Bipolar disorder with psychosis were more likely to be dependent than Bipolar disorder patients without psychosis (OR = 1.3; P = 0.03). Schizoaffective disorder, Bipolar Type patients had more risk of nicotine dependence when compared to Bipolar disorder patients with or without psychosis (OR = 1.2; P = 0.02). Bipolar disorder patients experiencing more severity of psychosis have more risk of nicotine dependence. © 2015 Wiley Periodicals, Inc.
Electronically Matching C−H Alkylation Strategies for the Synthesis of α‐Heteroaryl Acetic Acid Derivatives
Authors: Jang Ha‐Lim , Kim Hyun Tae , Cho Eun Jin , Joo Jung Min
Published: October 2015

A strategy in which complementary species are paired for the preparation of α‐heteroaryl esters and amides from heteroarenes was developed. Readily available α‐haloacetates and α‐acetamides provided the requisite acetate and acetamide groups via three distinctive reactive species, namely nucleophilic carbanions, alkylpalladium complexes, and photoredox‐generated electrophilic radicals. Based on their electronic properties, these intermediates were matched with various five‐membered heteroarenes, such as pyrazoles, imidazoles, thiophenes, furans, pyrroles, and indoles. These flexible protocols offer easy access to α‐heteroaryl acetic acid derivatives and expand the scope of heteroarenes that can be utilized for C−H alkylation.
Structure–property relationship of sodium deoxycholate based poly(ester ether)urethane ionomers for biomedical applications
Authors: Filip Daniela , Macocinschi Doina , Vlad Stelian , Lisa Gabriela , Cristea Mariana , Zaltariov Mirela F.
Published: October 2015

New sodium deoxycholate based poly(ester ether)urethane ionomers were prepared for the development of biomedical materials. A structure–property relationship in the tested biomaterials was established by cross‐examination of the dynamic mechanical and dielectric properties, attenuated total reflection–Fourier transform infrared investigation, thermogravimetric analysis, and surface morphology characterization. A stronger ionic interaction and solvation capacity of the ions and a higher ionic conductivity were manifested in the case of poly(ethylene oxide)‐rich segments than for poly(propylene oxide)‐rich segments in these polyurethane ionomers. The molecular and ionic interactions of the bile‐salt moiety with different polyether cosoft segments influenced chain packing and conformation, supramolecular organization, and the resulting surface morphological microstructures of the polyurethane biomembranes. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42921.
Physical properties of polypropylene composites with hydrophobized cellulose powder by soybean oil
Authors: Jang Song Yi , Kim Dae Su
Published: October 2015

Cellulose materials have attracted lots of interest as potential natural fillers in the production of green polymer composites because they are ecofriendly and economic. In this study, to improve the interfacial bonding strength between cellulose powder and a hydrophobic polypropylene (PP) matrix, the surface hydrophobization of cellulose powder by soybean oil was carried out via a simple transesterification reaction procedure. Weight change measurements, Fourier transform infrared spectroscopy, and compatibility testing were used to quantitatively and qualitatively analyze the hydrophobization of the cellulose powder. By changing the hydrophobization conditions, the soybean oil content attached to the cellulose powder changed from 8.0 to 57.8%. PP composites with 20% of each hydrophobized cellulose powder were prepared by melt blending followed by compression molding. The mechanical properties of the PP composites were investigated with a universal testing machine and an Izod impact tester. Compared to the composite with pristine cellulose powder, the PP composite with the hydrophobized cellulose powder and an attached soybean oil content of 29.6% showed largely increased impact strength (46.3%), tensile strength (47.5%), and elongation at break (27.3%) values. The scanning electron microscopy images for the fracture surfaces of the composites showed that the hydrophobization induced much stronger interfacial bonding between the PP matrix and cellulose powder. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42929.
Polysulfone/poly(ether sulfone) blended membranes for CO2 separation
Authors: Abdul Mannan Hafiz , Mukhtar Hilmi , Shima Shaharun Maizatul , Roslee Othman Mohd , Murugesan Thanabalan
Published: October 2015

Polymer blending as a modification technique is a useful approach for augmenting the gas‐separation and permeation properties of polymeric membranes. Polysulfone (PSF)/poly(ether sulfone) (PES) blend membranes with different blend ratios were synthesized by conventional solution casting and solvent evaporation technique. The synthesized membranes were characterized for miscibility, morphology, thermal stability, and spectral properties by differential scanning calorimetry (DSC), field emission scanning electron microscopy, thermogravimetric analysis, and Fourier transform infrared (FTIR) spectroscopy, respectively. The permeation of pure CO2 and CH4 gases was recorded at a feed pressure of 2–10 bar. The polymer blends were miscible in all of the compositions, as shown by DSC analysis, and molecular interaction between the two polymers was observed by FTIR analysis. The thermal stability of the blend membranes was found to be an additive property and a function of the blend composition. The morphology of the blend membranes was dense and homogeneous with no phase separation. Gas‐permeability studies revealed that the ideal selectivity was improved by 65% with the addition of the PES polymer in the PSF matrix. The synthesized PSF/PES blend membranes provided an optimized performance with a good combination of permeability, selectivity and thermal stability. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42946.
Free volume and damping in a miscible high performance polymer blend: Positron annihilation lifetime and dynamic mechanical thermal analysis studies
Authors: Ramani Ramasubbu , Alam Sarfaraz
Published: October 2015

High performance polymer blend of poly(ether ether ketone) (PEEK) and poly(ether imide) (PEI) was examined for their free volume behavior at different compositions of PEI using positron annihilation lifetime spectroscopy (PALS). The damping property of the blend was studied using tan‐δ obtained from dynamic mechanical thermal analysis (DMTA). The dependence of tan‐δ on temperature revealed that the blend is miscible in all compositions, in agreement with earlier studies. The tan‐δ peak height is found to increase with increase in free volume fraction for the entire blend composition signifying that the free volume plays an imperative role in understanding the damping property. Using DMTA, master curves were obtained at a reference temperature T0 by applying the time‐temperature‐superposition (TTS) using Williams‐Landel‐Ferry (WLF) relationship. From the shift factor aT, the WLF coefficients
and
were evaluated, using which the free volume fraction was found. Both PALS and DMTA methods were found to give similar results for the dependence of free volume for various PEI contents studied in this blend. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42961.
Novel polyethylene‐b‐polyurethane‐b‐polyethylene triblock copolymers: Facile synthesis and application
Authors: Xu Zhixian , Liu Yulu , Guo Song , Jie Suyun , Li Bo-Geng
Published: October 2015

A series of novel polyethylene‐b‐polyurethane‐b‐polyethylene (EUE) triblock copolymers is successfully prepared through a facile route combining the thiol‐ene chemistry, addition polymerization, and coupling reaction. The resulting EUE triblock copolymers are characterized by Nuclear magnetic resonance (1H NMR), Fourier transform‐infrared spectra (FT‐IR), High temperature gel permeation chromatography (HT‐GPC), Differential scanning calorimetry (DSC), Thermogravimetric analysis (TGA), and Transmission electron microscopy (TEM). In addition, the EUE triblock copolymers have been evaluated as compatibilizers in the polymer blends of thermoplastic polyurethane elastomer (TPU) and high‐density polyethylene (HDPE). The SEM results show that the compatibility of immiscible blends is enhanced greatly after the addition of EUE triblock copolymers. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 42967.
Influence of fiber orientation and fiber content on properties of sisal‐jute‐glass fiber‐reinforced polyester composites
Authors: Ramesh Manickam , Palanikumar Kayaroganam , Reddy Konireddy Hemachandra
Published: October 2015

The incorporation of natural fibers with polymer matrix composites (PMCs) has increasing applications in many fields of engineering due to the growing concerns regarding the environmental impact and energy crisis. The objective of this work is to examine the effect of fiber orientation and fiber content on properties of sisal‐jute‐glass fiber‐reinforced polyester composites. In this experimental study, sisal‐jute‐glass fiber‐reinforced polyester composites are prepared with fiber orientations of 0° and 90° and fiber volume of sisal‐jute‐glass fibers are in the ratio of 40:0:60, 0:40:60, and 20:20:60 respectively, and the experiments were conducted. The results indicated that the hybrid composites had shown better performance and the fiber orientation and fiber content play major role in strength and water absorption properties. The morphological properties, internal structure, cracks, and fiber pull out of the fractured specimen during testing are also investigated by using scanning electron microscopy (SEM) analysis. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42968.
Bayesian informative dropout model for longitudinal binary data with random effects using conditional and joint modeling approaches
Authors: Chan Jennifer S. K.
Published: October 2015

Dropouts are common in longitudinal study. If the dropout probability depends on the missing observations at or after dropout, this type of dropout is called informative (or nonignorable) dropout (ID). Failure to accommodate such dropout mechanism into the model will bias the parameter estimates. We propose a conditional autoregressive model for longitudinal binary data with an ID model such that the probabilities of positive outcomes as well as the drop‐out indicator in each occasion are logit linear in some covariates and outcomes. This model adopting a marginal model for outcomes and a conditional model for dropouts is called a selection model. To allow for the heterogeneity and clustering effects, the outcome model is extended to incorporate mixture and random effects. Lastly, the model is further extended to a novel model that models the outcome and dropout jointly such that their dependency is formulated through an odds ratio function. Parameters are estimated by a Bayesian approach implemented using the user‐friendly Bayesian software WinBUGS. A methadone clinic dataset is analyzed to illustrate the proposed models. Result shows that the treatment time effect is still significant but weaker after allowing for an ID process in the data. Finally the effect of drop‐out on parameter estimates is evaluated through simulation studies.
A highly sensitive and selective fluorescent probe for fluoride anions based on intramolecular charge transfer
Authors: Liu Jingkai , Xu Zhenghe , Liu Caiyun , Xu Lirong , Wang Zhongpeng , Zhu Baocun
Published: October 2015

Currently, there is a great need to develop methods for the selective detection of fluoride anions (F–) owing to their toxicity in the environment and biological function in living systems. In this study, we developed a new fluorescent probe (probe 1) employing a Si–O bond as a highly selective recognition receptor for detecting F– via intramolecular charge transfer. Probe 1 could detect F– quantitatively using the turn‐on fluorescence spectroscopy method with excellent sensitivity in the range of 4–38 μM and a detection limit of 0.26 μM; the detection time was < 17 min. We anticipate that probe 1 would be used widely to monitor F– in the environment. Copyright © 2015 John Wiley & Sons, Ltd.
ChemInform Abstract: Isotropic Negative Area Compressibility over Large Pressure Range in Potassium Beryllium Fluoroborate and Its Potential Applications in Deep Ultraviolet Region.
Authors: Li Wei , et al.
Published: October 2015

KBe2BO3F2 is prepared by solid state reaction of a stoichiometric mixture of K2CO3, BeO, H3BO3, and KF (700 °C, 3 d) and characterized by XRD and DFT calculations.
ChemInform Abstract: Photoluminescence Characteristics of Sm3+ Doped Sr2P2O7 as New Orange‐Red Emitting Phosphor.
Authors: Zhou Rui , Wang Luxiang , Xu Mengjiao , Jia Dianzeng
Published: October 2015

Sr2P2O7: xSm3+ (x = 0.02—0.12) and samples co‐doped with different charge compensators (Li+, Na+, K+ at levels of 0.02—0.1, Sm3+ = 0.04) are prepared by calcination of stoichiometric amounts of SrCl2, (NH4)2HPO4, Sm2O3, and alkali carbonates in air (1.
ChemInform Abstract: Experimental Reinvestigation of Al—Co Phase Diagram in Vicinity of Al13Co4 Family of Phases.
Authors: Priputen P. , Kusy M. , Drienovsky M. , Janickovic D. , Cicka R. , Cernickova I. , Janovec J.
Published: October 2015

Alloys with bulk compositions ranging between Al71Co29 and Al77Co23 are prepared by arc melting the elements followed by annealing at temperatures between 1070 and 1150 °C (330 h) and rapid quenching.
ChemInform Abstract: Novel Aluminide CePt3‐xAlx of the CeNi3 Type Structure, with 0.61 < x < 0.81.
Authors: Morozova Yu. , Kurenbaeva Zh. , Dunaev S. , Murashova E.
Published: October 2015

CePt2.27Al0.73 is prepared by repeated arc melting of the elements followed by annealing (evacuated quartz tubes, 700 °C, 30 d).
ChemInform Abstract: A Combined Transition‐Metal‐Catalyzed and Photopromoted Process: Synthesis of 2,3‐Fused 4‐Phenylnaphthalen‐1‐yl Carboxylates from 1,7‐Diaryl‐1,6‐diynes.
Authors: Yamamoto Yoshihiko , Mori Shota , Shibuya Masatoshi
Published: October 2015

The Ru‐catalyzed hydrocarboxylative cyclization of 1,7‐diphenyl‐1,6‐diynes (I) with AcOH gives rise to dienes (III), which are converted into 2,3‐fused 4‐phenylnaphthalen‐1‐yl carboxylates (IV) by oxidative photocyclization.
ChemInform Abstract: Enantioselective Organocatalytic Alkylation of Aldehydes and Enals Driven by the Direct Photoexcitation of Enamines.
Authors: Silvi Mattia , Arceo Elena , Jurberg Igor D. , Cassani Carlo , Melchiorre Paolo
Published: October 2015

The asymmetric photo‐organocatalytic α‐ or γ‐alkylation of aliphatic aldehydes or α‐branched enals with bromomalonates, respectively, is described.
ChemInform Abstract: First Base‐Free Catalytic Wittig Reaction.
Authors: Schirmer Marie‐Luis , Adomeit Sven , Werner Thomas
Published: October 2015

For the first time, a base‐free Wittig reaction utilizing tributylphosphine as organocatalyst is reported.
ChemInform Abstract: One‐Pot Synthesis of α‐Ketoacetals from Aryl Methyl Ketones in the Presence of Selenous Acid Catalyzed by Boron Trifluoride Etherate.
Authors: Kharkongor Icydora , Myrboh Bekington
Published: October 2015

The reaction of aryl methyl ketones with triethylorthoformate proceeds under mild, solvent free conditions and tolerates a variety of functional groups.
ChemInform Abstract: (Diacetoxyiodo)benzene‐Mediated Reaction of Ethynylcarbinols: Entry to α,α′‐Diacetoxy Ketones and Glycerol Derivatives.
Authors: Liu Qing‐Rong , Pan Cheng‐Xue , Ma Xiao‐Pan , Mo Dong‐Liang , Su Gui‐Fa
Published: October 2015

A simple method is developed for the conversion of ethynylcarbinols into α,α‐diacetoxy ketones (IV).
ChemInform Abstract: Tf2NH‐Catalyzed Amide Synthesis from Vinyl Azides and Alcohols.
Authors: Zhang Feng‐Lian , Zhu Xu , Chiba Shunsuke
Published: October 2015

The efficient construction of amides with C—C bond formation through nucleophilic attack of vinyl azides onto the supposable carbocation intermediates derived from alcohols is described.
ChemInform Abstract: Efficient and Practical Oxidative Bromination and Iodination of Arenes and Heteroarenes with DMSO and Hydrogen Halide: A Mild Protocol for Late‐Stage Functionalization.
Authors: Song Song , Sun Xiang , Li Xinwei , Yuan Yizhi , Jiao Ning
Published: October 2015

A protocol for late‐stage bromination and iodination of natural products is developed.
ChemInform Abstract: Metal‐Free Methodology for the Preparation of Sterically Hindered Alkynoylphenols and Its Application to the Synthesis of Flavones and Aurones.
Authors: Taylor Cassandra , Bolshan Yuri
Published: October 2015

Treatment of anhydrides (I) and (VI) with BCl3 and alkynyltrifluoroborate salts (II) gives ortho‐demethylated ynones selectivity.
ChemInform Abstract: Isotetronic Acids from an Oxidative Cyclization.
Authors: Zhou Zhe , Walleser Patrick M. , Tius Marcus A.
Published: October 2015

α,β‐Unsaturated methyl ketones carrying various aryl or ethoxy carbonyl substituents efficiently undergo the title reaction.
ChemInform Abstract: Rhodium(III)‐Catalyzed [4 + 1] Annulation of Aromatic and Vinylic Carboxylic Acids with Allenes: An Efficient Method Towards Vinyl‐Substituted Phthalides and 2‐Furanones.
Authors: Gandeepan Parthasarathy , Rajamalli Pachaiyappan , Cheng Chien‐Hong
Published: October 2015

Optimized conditions A) and B) allow the access to a broad spectrum of highly substituted furan/benzofuran structures which are of interest in natural product synthesis and as substructures of biologically active agents.
ChemInform Abstract: Synthesis and Applications of 4‐Substituted 1‐(4‐Iodophenyl)pyrrolidine‐2,5‐diones.
Authors: Ali Bakhat , Shamim Anwar , Vasconcelos Stanley N. S. , Stefani Helio A.
Published: October 2015

4‐Acetoxy substituted 1‐(4‐iodophenyl)pyrrolidine‐2,5‐dione is successfully transformed to the corresponding 4‐amino substituted derivatives.
ChemInform Abstract: Towards Reaction Control: An Expeditious Access to Racemic 5‐Substituted Tetramates and 5‐Substituted Tetramic Acids from Malimides.
Authors: Huang Pei‐Qiang , Ou Wei , Ye Jian‐Liang
Published: October 2015

Hemiaminals (III) derived from malimides undergo HCl‐promoted chemoselective transformations to 5‐alkyltetramates (IV) in CH2Cl2 or furnish 5‐alkyltetramic acids (V) in neat HCl.