bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of Nonfullerene Acceptors with Near‐Infrared Light Absorption Capabilities
Authors: Lee Jaewon , Ko Seo‐Jin , Seifrid Martin , Lee Hansol , McDowell Caitlin , Luginbuhl Benjamin R. , Karki Akchheta , Cho Kilwon , Nguyen Thuc‐Quyen , Bazan Guillermo C. 
Published: July 2018

AbstractA series of narrow bandgap electron acceptors is designed and synthesized for efficient near‐infrared (NIR) organic solar cells. Extending π‐conjugation of donor frameworks leads to an intense intramolecular charge transfer, resulting in broad absorption profiles with band edge reaching 950 nm. When blended with an electron donor polymer PTB7‐Th, IOTIC‐2F exhibits efficient charge transfer even with a small energetic offset, so as to achieve a large photogenerated current over 22 mA cm−2 with small energy losses (≈0.49 eV) in solar cell devices. With an intense NIR absorbance, PTB7‐Th:IOTIC‐2F‐based cells achieve a power conversion efficiency of 12.1% with good visible transparency (52% transmittance from 370 to 740 nm). Analysis of film morphology reveals that processing with solvent additives enhances crystalline features of acceptor components, while keeping an appropriate level of donor:acceptor intermixing in the binary blends. The incorporation of the third component, ITIC‐2F, into the PTB7‐Th:IOTIC‐2F blends increases the device efficiency up to 12.9%. The improvement is assigned to the cascaded energy‐level structure and desirable nanoscale phase separation of the ternary blends, which is beneficial to the photocurrent generation. This work provides an efficient molecular design strategy to optimize nonfullerene acceptor properties for efficient NIR organic photovoltaics.
High Capacity All‐Solid‐State Lithium Batteries Enabled by Pyrite‐Sulfur Composites
Authors: Ulissi Ulderico , Ito Seitaro , Hosseini Seyed Milad , Varzi Alberto , Aihara Yuichi , Passerini Stefano 
Published: July 2018

AbstractAs the theoretical limit of intercalation material‐based lithium‐ion batteries is approached, alternative chemistries based on conversion reactions are presently considered. The conversion of sulfur is particularly appealing as it is associated with a theoretical gravimetric energy density up to 2510 Wh kg−1. In this paper, three different carbon‐iron disulfide‐sulfur (C‐FeS2‐S) composites are proposed as alternative positive electrode materials for all‐solid‐state lithium‐sulfur batteries. These are synthesized through a facile, low‐cost, single‐step ball‐milling procedure. It is found that the crystalline structure (evaluated by X‐ray diffraction) and the morphology of the composites (evaluated by scanning electron microscopy) are greatly influenced by the FeS2:S ratio. Li/LiI‐Li3PS4/C‐FeS2‐S solid‐state cells are tested under galvanostatic conditions, while differential capacity plots are used to discuss the peculiar electrochemical features of these novel materials. These cells deliver capacities as high as 1200 mAh g(FeS2+S)−1 at the intermediate loading of 1 mg cm−2 (1.2 mAh cm−2), and up to 3.55 mAh cm−2 for active material loadings as high as 5 mg cm−2 at 20 °C. Such an excellent performance, rarely reported for (sulfur/metal sulfide)‐based, all solid‐state cells, makes these composites highly promising for real application where high positive electrode loadings are required.
A New Strategy for High‐Voltage Cathodes for K‐Ion Batteries: Stoichiometric KVPO4F
Authors: Kim Haegyeom , Seo Dong‐Hwa , Bianchini Matteo , Clément Raphaële J. , Kim Hyunchul , Kim Jae Chul , Tian Yaosen , Shi Tan , Yoon Won‐Sub , Ceder Gerbrand 
Published: July 2018

AbstractThe exploration of high‐energy‐density cathode materials is vital to the practical use of K‐ion batteries. Layered K‐metal oxides have too high a voltage slope due to their large K+–K+ interaction, resulting in low specific capacity and average voltage. In contrast, the 3D arrangement of K+, with polyanions separating them, reduces the strength of the effective K+‐K+ repulsion, which in turn increases specific capacity and voltage. Here, stoichiometric KVPO4F for use as a high‐energy‐density K‐ion cathode is developed. The KVPO4F cathode delivers a reversible capacity of ≈105 mAh g−1 with an average voltage of ≈4.3 V (vs K/K+), resulting in a gravimetric energy density of ≈450 Wh kg−1. During electrochemical cycling, the KxVPO4F cathode goes through various intermediate phases at x = 0.75, 0.625, and 0.5 upon K extraction and reinsertion, as determined by ex situ X‐ray diffraction characterization and ab initio calculations. This work further explains the role of oxygen substitution in KVPO4+xF1−x: the oxygenation of KVPO4F leads to an anion‐disordered structure which prevents the formation of K+/vacancy orderings without electrochemical plateaus and hence to a smoother voltage profile.
Origin of Equisetum: Evolution of horsetails (Equisetales) within the major euphyllophyte clade Sphenopsida
Authors: Elgorriaga Andrés , Escapa Ignacio H. , Rothwell Gar W. , Tomescu Alexandru M. F. , Rubén Cúneo N. 
Published: July 2018

Premise of the StudyEquisetum is the sole living representative of Sphenopsida, a clade with impressive species richness, a long fossil history dating back to the Devonian, and obscure relationships with other living pteridophytes. Based on molecular data, the crown group age of Equisetum is mid‐Paleogene, although fossils with possible crown synapomorphies appear in the Triassic. The most widely circulated hypothesis states that the lineage of Equisetum derives from calamitaceans, but no comprehensive phylogenetic studies support the claim. Using a combined approach, we provide a comprehensive phylogenetic analysis of Equisetales, with special emphasis on the origin of genus Equisetum.MethodsWe performed parsimony phylogenetic analyses to address relationships of 43 equisetalean species (15 extant, 28 extinct) using a combination of morphological and molecular characters.Key ResultsWe recovered Equisetaceae + Neocalamites as sister to Calamitaceae + a clade of Angaran and Gondwanan horsetails, with the four groups forming a clade that is sister to Archaeocalamitaceae. The estimated age for the Equisetum crown group is mid‐Mesozoic.ConclusionsModern horsetails are not nested within calamitaceans; instead, both groups have explored independent evolutionary trajectories since the Carboniferous. Diverse fossil taxon sampling helps to shed light on the position and relationships of equisetalean lineages, of which only a tiny remnant is present within the extant flora. Understanding these relationships and early character configurations of ancient plant clades as Equisetales provide useful tests of hypotheses about overall phylogenetic relationships of euphyllophytes and foundations for future tests of molecular dates with paleontological data.
Onset of Lasing in Small Devices: The Identification of the First Threshold through Autocorrelation Resonance
Authors: Wang Tao , Puccioni Gian Piero , Lippi Gian Luca 
Published: July 2018

AbstractA simple technique for identifying the onset of coherent emission in mesoscale lasers, which makes use of a small‐amplitude modulation added to the pump, is introduced. The optimal modulation frequency is obtained from the radio‐frequency power spectrum of the unperturbed laser emission. The identification of the lasing onset rests on the appearance of a resonance in the experimentally measured zero‐order autocorrelation function (g(2)(0)) plotted as a function of the pump rate. Numerical proof is provided in support of the autocorrelation resonance. The intrinsic simplicity of this technique and its inherent compatibility with photon counting makes it an excellent tool for certifying the onset of laser emission independent of the laser cavity volume. Recently published measurements of g(2)(0), obtained in nanolasers, support the extension of this technique to nanoscale devices.
Pt Nanoparticles Supported on Nitrogen‐Doped‐Carbon‐Decorated CeO2 for Base‐Free Aerobic Oxidation of 5‐Hydroxymethylfurfural
Authors: Ke Changxuan , Li Mengyuan , Fan Guoli , Yang Lan , Li Feng 
Published: July 2018

AbstractCurrently, the base‐free aerobic oxidation of biomass‐derived 5‐hydroxymethylfurfural (HMF) to produce 2,5‐furandicarboxylic acid (FDCA) is attracting intense interest due to its prospects for the green, sustainable, and promising production of biomass‐based aromatic polymers. Herein, we have developed a new Pt catalyst supported on nitrogen‐doped‐carbon‐decorated CeO2 (NC‐CeO2) for the aerobic oxidation of HMF in water without the addition of any homogeneous base. It was demonstrated that the small‐sized Pt particles could be well dispersed on the surface of the hybrid NC‐CeO2 support, and the activity of the supported Pt catalyst depended strongly on the surface structure and properties of the catalysts. The as‐fabricated Pt/NC‐CeO2 catalyst, with abundant surface defects, enhanced basicity, and favorable electron‐deficient metallic Pt species, enabled an almost 100 % yield of FDCA in water with molecular oxygen (0.4 MPa) at 110 °C for 8 h without the addition of any homogeneous base, which is indicative of exceptional catalytic performance. Furthermore, this Pt/NC‐CeO2 catalyst also showed good stability and reusability owing to strong metal–support interactions. An understanding of the role of surface structural defects and basicity of the hybrid NC‐CeO2 support provides a basis for the rational design of high‐performance and stable supported metal catalysts with practical applications in various transformations of biomass‐derived compounds.
Building Molecular Complexity from Quinizarin: Conjoined Coumarins and Coronene Analogs
Authors: Węcławski Marek K. , Deperasińska Irena , Banasiewicz Marzena , Young David C. , Leniak Arkadiusz , Gryko Daniel T. 
Published: July 2018

AbstractThe double Knoevenagel condensation of 1,4‐dibenzoyloxyanthraquinone with methyl esters of arylacetic acids affords a series of compounds based upon a previously unknown 1,8‐dioxa‐benzo[e]pyrene‐2,7‐dione heterocyclic core. The aryl groups incorporated in the 3‐ and 6‐positions can be oxidatively coupled to the π‐expanded backbone to produce a further new heterocyclic core: 1,10‐dioxa‐dibenzo[dj]coronene‐2,9‐dione. The intriguing optical properties of these π‐expanded coumarin derivatives are discussed and rationalized through quantum chemical calculations. The broad absorption bands of 1,8‐dioxa‐benzo[e]pyrene‐2,7‐dione‐based dyes are attributed to both HOMO−1→LUMO and HOMO→LUMO transitions, which have a similar energy. Weakly coupled electron‐donating aryl substituents result in a moderate bathochromic shift of both the absorption and emission by 30–60 nm in toluene. The emissive properties of these compounds are in part determined by the oscillator strength of the main transition, lifetimes of the excited state, and by the energy match of the excited state with a triplet state of a similar energy. The 1,10‐dioxa‐dibenzo[dj]coronene‐2,9‐dione displays a much smaller Stokes shift, yet a markedly increased fluorescence quantum yield of 90 % owing to the increased rigidity compared with the 1,8‐dioxa‐benzo[e]pyrene‐2,7‐dione core.
Direct Dehydrative Glycosylation of C1‐Alcohols
Authors: O'Neill Sloane , Rodriguez Jacob , Walczak Maciej A. 
Published: July 2018

AbstractDue to the central role played by carbohydrates in a multitude of biological processes, there has been a sustained interest in developing effective glycosylation methods to enable more thorough investigation of their essential functions. Among the myriad technologies available for stereoselective glycoside bond formation, dehydrative glycosylation possesses a distinct advantage given the unique properties of C1‐alcohols such as straightforward preparation, stability, and a general reactivity compatible with a diverse set of reaction conditions. In this Focus Review, a survey of direct dehydrative glycosylations of C1‐alcohols is provided with an emphasis on recent achievements, pervading limitations, mechanistic insights, and applications in total synthesis.
Arylpyrrolyldiketone Boron Complexes Exhibiting Various Anion‐Binding Modes Based on Dynamic Conformation Changes
Authors: Kuno Atsuko , Fujiwara Masaya , Haketa Yohei , Maeda Hiromitsu 
Published: July 2018

AbstractArylpyrrolyldiketone boron complexes as anion‐responsive π‐electronic molecules were synthesized by Claisen condensations of acetylpyrrole and corresponding aryl esters. The synthesized π‐electronic molecules exhibited anion‐binding behavior with various binding modes including pyrrole‐inverted and non‐inverted [1+1]‐type anion complexes as well as [2+1]‐type complexes owing to the presence of only a single pyrrole ring. Furthermore, solid‐state ion‐pairing assemblies, comprising receptor–anion complexes and countercations, were constructed based on fairly planar [2+1]‐type complexes.
Brain responses during strategic online gaming of varying proficiencies: Implications for better gaming
Authors: Wang Min , Dong Guangheng , Wang Lingxiao , Zheng Hui , Potenza Marc N. 
Published: July 2018

AbstractBackgroundOnline gaming is a complex and competitive activity. However, little attention has been paid to brain activities relating to gaming proficiency.MethodsIn the current study, fMRI data were obtained from 70 subjects while they were playing online games. Based on their playing, we selected 24 clips from each subject for three levels of gaming proficiency (good, poor, and average), with each clip lasting for 8 seconds.ResultsWhen comparing the brain responses during the three conditions, good‐play trials, relative to poor‐ or average‐play trials, were associated with greater activation of the declive, postcentral gyrus, and striatum. In post‐hoc analyses taking the identified clusters as regions of interest to calculate their functional connectivity, activation of the declive during good‐play conditions was associated with that in the precentral gyrus and thalamus, and activation in the striatum was associated with that in the inferior frontal gyrus and middle frontal cortex.ConclusionsTaken together, findings suggest specific regional brain activations and functional connectivity patterns involving brain regions and circuits involved in sensory, motor, automatic and executive functioning and their coordination are associated with better gaming. Specifically, for basic functions, such as simple reaction, motor control, and motor coordination, people need to perform them automatically; for highly cognitive functions, such as plan and strategic playing, people need to engage more executive functions in finishing these works. The automatically processed basic functions spare cognitive resources for the highly cognitive functions, which facilitates their gaming behaviors.
Understanding green purchase behavior through death anxiety and individual social responsibility: Mastery as a moderator
Authors: Rahimah Anni , Khalil Shadab , Cheng Julian Ming‐Sung , Tran Mai Dong , Panwar Vinod 
Published: July 2018

AbstractThis research proposes a framework to explore green consumption behavior from the perspective of the anxiety of death and individual social responsibility. Research data are collected from a sample of 280 consumers in Taipei, Taiwan. The findings reveal that consumers' anxiety of death affects consumers' green purchase attitude and then ultimately green purchase intention through the mediating variables of environmental concern and pro‐environmental behavior. On a similar line, individual social responsibility is found to act as a precursor in increasing consumer's concern for the environment and, eventually, green purchase attitude and intention. Mastery is found to invigorate the effect of death anxiety on green concern and pro‐environmental behavior, while it enervates the relationship between individual social responsibility and environmental concern.
Biology‐Oriented Drug Synthesis (BIODS) Approach towards Synthesis of Ciprofloxacin‐Dithiocarbamate Hybrids and Their Antibacterial Potential both in Vitro and in Silico
Authors: Esfahani Ensieh Nasli , Mohammadi‐Khanaposhtani Maryam , Rezaei Zahra , Valizadeh Yosef , Rajabnia Ramazan , Bagheri Meghdad , Bandarian Fatemeh , Faramarzi Mohammad Ali , Samadi Nasrin , Amini Mohammad Reza , Mahdavi Mohammad , Larijani Bagher 
Published: July 2018

A novel series of ciprofloxacin‐dithiocarbamate hybrids 7a – 7l were designed, synthesized, and evaluated against Gram‐positive and Gram‐negative bacteria. A significant part of the title compounds showed considerable antibacterial activity against Gram‐positive species. The most potent compound against Gram‐positive bacteria was 2‐chloro derivative 7h and the most potent derivative against Gram‐negative bacteria was 3‐chloro compound 7i. In vitro antibacterial evaluation of compound 7h against clinically isolated bacteria methicillin‐resistant Staphylococcus aureus (MRSA) and methicillin‐sensitive Staphylococcus aureus (MSSA) showed that this compound acted better than ciprofloxacin against the latter bacteria. Docking study of compound 7h in the active site of S. aureus DNA gyrase revealed that this ciprofloxacin‐dithiocarbamate derivative interacted with the main components of the active site of the enzyme.
Glycine receptors are involved in hippocampal neuronal damage caused by oxygen‐glucose deficiency
Authors: Lushnikova Iryna , Maleeva Galyna , Skibo Galyna 
Published: July 2018

AbstractGlycine receptors (GlyRs) belong to the family of ligand‐gated cys‐loop receptors and effectuate fast inhibitory neurotransmission in central nervous system (CNS). They are involved in numerous physiological processes, such as movement, respiration, and processing of sensory information, as well as in regulation of neuronal excitability in different brain regions. GlyRs play important role in the maintenance of excitatory/inhibitory balance in the hippocampus and participate in the development of various brain pathologies. In the present study, we have examined a surface expression of GlyRs by pyramidal neurons and astrocytes in control and after 30 min of oxygen‐glucose deprivation (OGD) in the organotypic culture of hippocampal slices. Our investigation has demonstrated a decrease in GlyR‐positive staining associated with pyramidal neurons and relative stability of GlyRs expression at the surface of astrocytes 4 hs after OGD. These data indicate that GlyRs dysfunction may represent a significant additional factor leading to enhanced neuronal damage induced by OGD. Pharmacological modulation of GlyRs is a promising venue of research for the correction of negative consequences of oxygen‐glucose deficiency.
Transcatheter valve‐in‐valve versus redo surgical aortic valve replacement for the treatment of degenerated bioprosthetic aortic valve: A systematic review and meta‐analysis
Authors: Tam Derrick Y. , Vo Thin X. , Wijeysundera Harindra C. , Dvir Danny , Friedrich Jan O. , Fremes Stephen E. 
Published: July 2018

AbstractObjectiveTo determine the safety and efficacy of valve‐in‐valve transcatheter aortic valve replacement (ViV) versus redo surgical aortic valve replacement (SAVR) for the treatment of previously failed aortic bioprostheses.BackgroundValve‐in‐valve has emerged as a treatment option for patients with a failed aortic bioprosthesis. Evidence for safety and efficacy remains limited to small studies.MethodsMedline and Embase were searched to 2017 for studies that directly compared ViV to redo SAVR. A random effects meta‐analysis was performed.ResultsFour unadjusted (n = 298) and two propensity‐matched (n = 200) observational studies were included. Valve‐in‐valve patients were 2.85‐years older (P = 0.03) and were 23% higher in predicted mortality risk (ratio of means: 1.23, 95% confidence interval (95%CI): 1.02–1.48). There was no difference in peri‐operative mortality (4.4% vs. 5.7%, P = 0.83;I2 = 0%) or late mortality, reported at median one year follow‐up (incident rate ratio (IRR) 0.93, 95%CI: 0.74–1.16, P = 0.51, I2 = 0%) between ViV and redo SAVR. The incidence of permanent pacemaker implantation (8.3% vs 14.6%; P = 0.05;I2 = 0%) and dialysis (3.2% vs. 10.3%; P = 0.03; I2 = 0%) were lower in ViV. There was a reduction in the incidence of severe patient‐prosthesis mismatch (3.3% vs 13.5%; P = 0.03; I2 = 0%) and mild or greater paravalvular leak (5.5% vs 21.1%; P = 0.03; I2 = 37%) in the redo SAVR group compared to ViV.ConclusionsDespite higher predicted surgical risk of ViV patients, there was no difference in mortality but less permanent pacemaker implantation and dialysis compared to redo SAVR. Choice of treatment must be individualized for both anatomical and patient risk factors; in high risk patients with favorable previous prosthesis size, valve‐in‐valve may be preferred.
Transradial versus tibiopedal access approach for endovascular intervention of superficial femoral artery chronic total occlusion
Authors: Patel Apurva , Parikh Roosha , Htun WahWah , Bellavics Robert , Coppola John T. , Maw Myo , Bertrand Olivier F. , Puma Joseph A. , Ruzsa Zoltán , Kwan Tak W. 
Published: July 2018

AbstractBackgroundImproved equipment and techniques have resulted in transition from surgical bypass to endovascular intervention to treat superficial femoral artery (SFA) chronic total occlusions (CTO). A change in access site to radial (TRA) or tibiopedal (TPA) artery for the treatment of these SFA CTO has been reported. The feasibility, efficacy and safety of these two access sites for treatment of SFA CTO have not been reported.MethodsWe performed an as treated analysis of 184 SFA CTO interventions in 161 patients from 01/2014 to 09/2016 using either primary TRA or TPA (operator discretion) at two institutions. Primary end point was 30 day major adverse event (MAE) ‐ death, amputation or target vessel revascularization, secondary endpoint was success of procedure.ResultsPrimary TRA was used in 46 patients with 47 CTO lesions .Primary TPA was used in 115 patients with 137 CTO lesions. Primary crossing success rate was higher with TRA compared to TPA (74% vs 54%, P = 0.01). Dual TRA‐TPA was required in 72 prior uncrossed lesions resulting in a crossing and procedural success of 99% and 96% respectively. The overall crossing and procedural success rate using either of these approaches was 99% and 98% respectively. The 30 day MAE was 5% in TRA arm, 0% in TPA arm and 2% in dual TRA‐TPA arm, P = 0.08. All access sites were patent, confirmed by ultrasound.ConclusionThe treatment of SFA CTO is feasible and safe using both TRA or TPA approach providing high success rates and no access site complications.