bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Throughput Multiparametric Screening of Solution Processed Bulk Heterojunction Solar Cells
Authors: Sánchez‐Díaz Antonio , Rodríguez‐Martínez Xabier , Córcoles‐Guija Laura , Mora‐Martín Germán , Campoy‐Quiles Mariano 
Published: February 2018

AbstractOne of the major bottlenecks in the development of organic photovoltaics is the time needed to evaluate each material system. This time ranges from weeks to months if different variables such as blend composition, thickness, annealing, and additives are to be explored. In this study, the use of lateral gradients is proposed in order to evaluate the photovoltaic potential of a material system up to 50 times faster. A platform that combines blade coating using controllable velocity profiles (thickness gradients) with multichannel dispensers (composition gradients) and controlled lateral annealing variations (nanostructure gradients) is introduced. These samples are then analyzed using photocurrent and Raman imaging in order to correlate one to one the device performance, thickness, composition, and annealing temperature. The strength of the developed technology is shown by optimizing three different systems, namely PCDTBT:PC70BM, PTB7‐Th:PC70BM, and PffBT4T‐2OD:PC70BM, obtaining efficiencies ≈5%, 8%, and 9.5%, respectively, using less than 10 mg of each polymer in the process.
Dendrite‐Free and Performance‐Enhanced Lithium Metal Batteries through Optimizing Solvent Compositions and Adding Combinational Additives
Authors: Li Xing , Zheng Jianming , Ren Xiaodi , Engelhard Mark H. , Zhao Wengao , Li Qiuyan , Zhang Ji‐Guang , Xu Wu 
Published: February 2018

AbstractThe instability of lithium (Li) metal anodes due to dendritic growth and low Coulombic efficiency (CE) hinders the practical application of high‐energy‐density Li metal batteries. Here, the systematic studies of improving the stability of Li metal anodes and the electrochemical performance of Li metal batteries through the addition of combinational additives and the optimization of solvent compositions in dual‐salt/carbonate electrolytes are reported. A dendrite‐free and high CE of 98.1% for Li metal anode is achieved. The well‐protected Li metal anode and the excellent cyclability and rate capability of the 4‐V Li metal batteries are obtained. This is attributed to the formation of a robust, denser, more polymeric, and higher ionic conductive surface film on the Li metal anode via the electrochemical reductive decompositions of the electrolyte components and the ring‐opening polymerization of additives and cyclic carbonate solvents. The key findings of this work indicate that the optimization of solvent compositions and the manipulation of additives are facile and effective ways to enhance the performances of Li metal batteries.
Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing
Authors: Liu Shuai , Feng Xin , Wang Xuelong , Shen Xi , Hu Enyuan , Xiao Ruijuan , Yu Richeng , Yang Haitao , Song Ningning , Wang Zhaoxiang , Yang Xiaoqing , Chen Liquan 
Published: February 2018

AbstractThe Li‐rich layer‐structured oxides are regarded one of the most promising candidates of cathode materials for high energy‐density Li‐ion batteries. However, the uninterrupted migration of the transition metal (TM) ions during cycling and the resultant continuous fading of their discharge potentials bring challenges to the battery design and impede their commercial applications. Various efforts have been taken to suppress the migration of the TM ions such as surface modification and elemental substitution, but no success has been achieved to date. Another strategy hereby is proposed to address these issues, in which the TM migration is promoted and the layered material is transformed to a rocksalt in the first few charge/discharge cycles by specially designing a novel Li‐rich layer‐structured Li1.2Mo0.6Fe0.2O2 on the basis of density functional theory calculations. With such, the continuous falling of the discharge potential is detoured due to enhanced completion of the cation mixing. In‐depth studies such as aberration‐corrected scanning transmission electron microscopy confirm the drastic structural change at the atomic scale, and in situ X‐ray absorption spectroscopy and Mössbauer spectroscopy clarify its charge compensation mechanism. This new strategy provides revelation for the development of the Li‐rich layered oxides with mitigated potential decay and a longer lifespan.
Highly Efficient Tandem Organic Solar Cell Enabled by Environmentally Friendly Solvent Processed Polymeric Interconnecting Layer
Authors: Zhang Kai , Fan Baobing , Xia Ruoxi , Liu Xiang , Hu Zhicheng , Gu Honggang , Liu Shiyuan , Yip Hin‐Lap , Ying Lei , Huang Fei , Cao Yong 
Published: February 2018

AbstractIn the field of organic solar cells (OSCs), tandem structure devices exhibit very attractive advantages for improving power conversion efficiency (PCE). In addition to the well researched novel pair of active layers in different subcells, the construction of interconnecting layer (ICL) also plays a critical role in achieving high performance tandem devices. In this work, a new way of achieving environmentally friendly solvent processed polymeric ICL by adopting poly[(9,9‐bis(3′‐(N,N‐dimethylamino)propyl)‐2,7‐fluorene)‐alt‐5,5′‐bis(2,2′‐thiophene)‐2,6‐naphthalene‐1,4,5,8‐tetracaboxylic‐N,N′‐di(2‐ethylhexyl)imide] (PNDIT‐F3N) blended with poly(ethyleneimine) (PEI) as the electron transport layer (ETL) and PEDOT:PSS as the hole transport layer is reported. It is found that the modification ability of PNDIT‐F3N on PEDOT can be linearly tuned by the incorporation of PEI, which offers the opportunity to study the charge recombination behavior in ICL. At last, tandem OSC with highest PCE of 12.6% is achieved, which is one of the best tandem OSCs reported till now. These results offer a new selection for constructing efficient ICL in high performance tandem OSCs and guide the way of design new ETL materials for ICL construction, and may even be integrated in future printed flexible large area module device fabrication with the advantages of environmentally friendly solvent processing and thickness insensitivity.
Phylogenetic and environmental effects on limb bone structure in gorillas
Authors: Ruff Christopher B. , Burgess M. Loring , Junno Juho‐Antti , Mudakikwa Antoine , Zollikofer Christophe P. E. , Ponce de León Marcia S. , McFarlin Shannon C. 
Published: February 2018

AbstractObjectivesThe effects of phylogeny and locomotor behavior on long bone structural proportions are assessed through comparisons between adult and ontogenetic samples of extant gorillas.Materials and MethodsA total of 281 wild‐collected individuals were included in the study, divided into four groups that vary taxonomically and ecologically: western lowland gorillas (G. g. gorilla), lowland and highland grauer gorillas (G. b. graueri), and Virunga mountain gorillas (G. b. beringei). Lengths and articular breadths of the major long bones (except the fibula) were measured, and diaphyseal cross‐sectional geometric properties determined using computed tomography. Ages of immature specimens (n = 145) were known or estimated from dental development. Differences between groups in hind limb to forelimb proportions were assessed in both adults and during development.ResultsDiaphyseal strength proportions among adults vary in parallel with behavioral/ecological differences, and not phylogeny. The more arboreal western lowland and lowland grauer gorillas have relatively stronger forelimbs than the more terrestrial Virunga mountain gorillas, while the behaviorally intermediate highland grauer gorillas have intermediate proportions. Diaphyseal strength proportions are similar in young infants but diverge after 2 years of age in western lowland and mountain gorillas, at the same time that changes in locomotor behavior occur. There are no differences between groups in length or articular proportions among either adults or immature individuals.ConclusionLong bone diaphyseal strength proportions in gorillas are developmentally plastic, reflecting behavior, while length and articular proportions are much more genetically canalized. These findings have implications for interpreting morphological variation among fossil taxa.
Evaluation of disulfide chain extender effect on the mechanical properties of unsaturated polyurethane‐urea networks
Authors: Yarmohammadi Masoud , Shahidzadeh Mansour 
Published: February 2018

ABSTRACT4‐Aminophenyl disulfide and bis(4‐aminophenyl)methane chain extenders containing hydroxyl‐terminated polybutadiene‐based polyurethane‐ureas are prepared one‐shot to explore the effect of the chain extender structure on the elastomers mechanical properties. However, the results revealed that the participation of the disulfide chain extender in side reactions like thiol‐ene and proton abstraction prevented disulfide metathesis reaction due to decomposing chain extender in the polyurethane‐urea matrix. Also, these side reactions improved the phase mixing via chemical crosslinking between polyurethane‐ureas soft and hard segments, too. Tensile test results showed higher stress strength of the elastomers in the presence of the disulfide chain extender in comparison with the nondisulfide bond containing elastomers. This result was in agreement with the observed result in dynamical mechanical analysis. Dynamic mechanical analysis results established that the absence of the disulfide bond in the polyurethane‐urea matrix led to the higher viscous modulus. The swelling test revealed chemical crosslinking increased in the presence of the disulfide bond. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46309.
Effect of viscosity and surface tension on dynamic percolation in liquid media
Authors: Badard M. , Combessis A. , Allais A. , Flandin L. 
Published: February 2018

ABSTRACTPercolation of carbon nanotubes in liquid media has been studied as a function of their surface tension and intrinsic viscosity. Carbon nanotubes were dispersed in different liquids by means of ultrasound, and the suspensions were gradually further diluted to obtain a large number of well‐defined filler contents. Percolation was probed with a remarkable accuracy thanks to a specific test procedure combining dilutions and electrical testing. Percolation threshold values were found to be lower (close to 0.01 vol %) than the ones obtained in molten polymers, due to the ease of particles aggregating in liquid media. The aggregation over time of carbon nanotubes from a dispersed and distributed state into particle networks was also monitored. Best known as dynamic percolation, this resulted in a percolation threshold eventually reduced by a factor of two. We then show that decreasing the matrix viscosity increases the dynamic component of the percolation process, yielding decreased critical filler fraction and percolation time (0.002 vol %). Finally, the effect of the difference in surface tension between the filler and matrix was also quantified. Large differences favor the aggregation mechanisms and thereby reduce the percolation threshold. An analytical model is finally proposed. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46313.
Novel synergistic flame‐retardant system of Mg–Al–Co–LDHs/DPCPB for ABS resins
Authors: Mo Hongbing , Xu Liping , Zhou Tao 
Published: February 2018

ABSTRACTAcrylonitrile‐butadiene‐styrene (ABS) resins are widely used in many sectors of the industry due to excellent mechanical properties, low temperature resistance, heat resistance, and chemical resistance. However, its flammability constitutes a key limitation in their applications. Consequently, development of flame‐retarding ABS resins is imperative. Herein, we report a novel synergistic system composed of Mg–Al–Co–layered double hydroxides (LDHs) prepared via a co‐precipitation method, and [4‐(diphenoxy‐phosphorylamino)‐6‐phenyl‐[l,3,5] triazin‐2‐y1]‐phosphoramidic acid diphenyl ester (DPCPB), a novel intumescent flame retardant. The properties of the as‐prepared LDHs/DPCPB/ABS composites are evaluated using standard combustion performance tests including limiting oxygen index (LOI) and vertical burning test (UL‐94). Novel ABS resins with the composition of ABS/DPCPB = 100/25 and ABS/DPCPB/LDHs = 100/2l/4 exhibit higher LOIs, 23.9 and 24.7, respectively, compared to 18.1 for the pure ABS. Meanwhile, they meet the V‐2 and A‐1 level, respectively, in UL‐94 tests. Moreover, the prepared composites exert flame‐retarding effects in gas phase and condensed phase simultaneously. Our results reveal synergistic effects between Mg–Al–Co–LDHs and DPCPB for the flame retardation of ABS resins. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46319.
Stereodivergent Hydroboration of Allenes
Authors: Nagashima Yoshiyuki , Sasaki Keiji , Suto Takahiro , Sato Takaaki , Chida Noritaka 
Published: February 2018

AbstractFull details of a stereodivergent hydroboration of allenes are reported. While hydroboration of an allene with 9‐BBN provided a thermodynamically stable (E)‐allylic alcohol after oxidative work‐up, the reaction of an identical allene with HB(Sia)2 (disiamylborane) formed a (Z)‐allylic alcohol as the kinetic product. The developed conditions allowed for the synthesis of trisubstituted olefins in a highly stereoselective fashion, which is known to be challenging. The method was also applied to the stereodivergent synthesis of structural motifs such as skipped dienes and allylbenzenes, which are often embedded in biologically active natural products.
Robust, domain‐specific effects of prior context in risk preferences for pension choice
Authors: Bird Sarah , Harris Adam J.L. 
Published: February 2018

AbstractEvidence that context changes measured risk preferences raises concerns about the practice of measuring financial risk attitude in one context to guide investment choice. We found that participants who first made choices between pairs of high (low) risk pension funds subsequently preferred higher (lower) risk funds when offered a choice from a wider range of funds. This effect was also observed when the riskiness of the initial pension funds was manipulated within subjects. Effects were not influenced by order, or attenuated by a bias warning. Tests across the domains of recreational and financial risk found that context effects are domain specific and that they influence both choices and judgments. Our results are consistent with theories of relative judgement. However, we also observed some evidence of sensitivity to absolute values. From an applied perspective, understanding such contextual sensitivity is important for recognising the limitations of risk profiling tools as part of a regulated financial advice process.
Supramolecular separation mechanism of pentafluorophenyl column using ibuprofen and omeprazole as markers: LC‐MS and simulation study
Authors: Hussain Afzal , AlAjmi Mohamed F. , Ali Imran 
Published: February 2018

AbstractThe pentafluorophenyl (PFP) column is emerging as a new advancement in separation science to analyze a wide range of analytes and, thus, its separation mechanism at supramolecular level is significant. We developed a mechanism for the separation of ibuprofen and omeprazole using different combinations (ranging from 50:50 to 60:40) of water–acetonitrile containing 0.1% formic acid as the mobile phase. The column used was Waters Acquity UPLC HSS PFP (75 × 2.1 mm, 1.8 μm). The reverse order of elution was observed in different combinations of the mobile phases. The docking study indicated hydrogen bonding between ibuprofen and PFP stationary phase (binding energy was −11.30 kJ/mol). Separation at PFP stationary phase is controlled by hydrogen bonding along with π–π interactions. This stationary phase may be used to analyze both aromatic and aliphatic analytes. The developed mechanism will be useful to separate various analytes by considering the possible interactions, leading to saving of energy, time and money. In addition, this work will be highly useful in preparative chromatography where separation is the major problem at a large scale. Moreover, the developed LC‐MS‐QTOF method may be used to analyze ibuprofen and omeprazole in an unknown sample owing to the low value of detection limits.
Metabolomic analysis for the protective effects of mangiferin on sepsis‐induced lung injury in mice
Authors: Wang Yilin , Liu Yang , Cao Qiqi , Shi Xuan , Lu Hongtao , Gao Songyan , Yang Rui 
Published: February 2018

AbstractThis study aimed to investigate the efficacy of mangiferin, including its known antioxidant and anti‐inflammatory effects on sepsis‐induced lung injury induced by a classical cecal ligation and puncture (CLP) models in mouse using a metabolomics approach. A total of 24 mice were randomly divided into four groups: the sham group was given saline before sham operation. The CLP group received the CLP operation only. HMF and LMF groups were given mangiferin treatment of high dose and low dose of mangiferin, respectively, before the CLP operation. One week after treatment, the mice were sacrificed and their lungs were collected for metabolomics analysis. We developed ultra‐performance liquid chromatography coupled with quadrupole‐time‐of‐flight mass spectrometry to perform lung metabolic profiling analysis. With the methods of principal component analysis and partial least squares discriminant analysis, 58 potential metabolites associated with amino acid metabolism, purine metabolism, lipid metabolism and energy regulation were observed to be increased or reduced in HMF and LMF groups compared with the CLP group. Conclusively, our results suggest that mangiferin plays a protective role in the moderation of sepsis‐induced lung injury through reducing oxidative stress, regulating lipid metabolism and energy biosynthesis.
Alanine and Lysine Scans of the LL‐37‐Derived Peptide Fragment KR‐12 Reveal Key Residues for Antimicrobial Activity
Authors: Gunasekera Sunithi , Muhammad Taj , Strömstedt Adam A. , Rosengren K. Johan , Göransson Ulf 
Published: February 2018

AbstractThe human host defence peptide LL‐37 is a broad‐spectrum antibiotic with immunomodulatory functions. Residues 18–29 in LL‐37 have previously been identified as a minimal peptide (KR‐12) that retains antibacterial activity with decreased cytotoxicity. In this study, analogues of KR‐12 were generated by Ala and Lys scans to identify key elements for activity. These were tested against a panel of human pathogens and for membrane permeabilisation on liposomes. Replacements of hydrophobic and cationic residues with Ala were detrimental for antibiotic potency. Substitutions by Lys increased activity, as long as the increase in cationic density did not disrupt the amphiphilic disposition of the helical structure. Importantly, substitutions showed differential effects against different organisms. Replacement of Gln5 with Lys and Asp9 with Ala or Lys improved the broad‐spectrum activity most, each resulting in up to an eightfold increase in potency against Staphylococcus aureus, Pseudomonas aeruginosa and Candida albicans. The improved analogues displayed no significant toxicity against human cells, and thus, KR‐12 is a tuneable template for antibiotic development.
Efficient Solvent‐Free Carbon Dioxide Fixation Reactions with Epoxides Under Mild Conditions by Mixed‐Ligand Zinc(II) Metal–Organic Frameworks
Authors: Patel Parth , Parmar Bhavesh , Kureshy Rukhsana I. , Khan Noor‐ul , Suresh Eringathodi 
Published: February 2018

AbstractMixed‐ligand 3 D/2 D Zn metal–organic frameworks (MOFs) {[Zn(bdc)(L1)]⋅x G}n (ZnMOF‐1) and {[Zn(ipa)(L2)]}n (ZnMOF‐2; in which H2BDC=benzene‐1,4‐dicarboxylic acid, L1=4‐pyridyl carboxaldehyde isonicotinoylhydrazone, H2IPA=isophthalic acid, L2=3‐pyridyl carboxaldehyde nicotinoyl hydrazone, and G=lattice guests) were synthesized using versatile synthetic routes that include a green mechanochemical (grinding) reaction. Chemical and thermal stability, phase purity, and characterization of the ZnMOFs synthesized by different approaches were established by using various analytical methods. Both ZnMOFs can be used as a highly active, solvent‐free, binary catalyst for CO2 cycloaddition with epoxides under ambient reaction conditions of 1 atm pressure and room temperature/40 °C, in the presence of the cocatalyst nBu4NBr. The yield, recyclability, and stability of ZnMOF‐1 as a potential catalyst towards epoxide to cyclic carbonate conversion are excellent under ambient conditions. From literature and experimental inferences, a rationalized mechanism mediated by the Zn center of ZnMOFs for the CO2‐epoxide cycloaddition reaction has been proposed. To the best of our knowledge, very few MOF‐based catalysts have been reported to realize the conversion of CO2 to useful products under similar mild conditions. In the present investigation, that is, catalyst preparation by green mechanochemical synthesis and catalysis under ambient, solvent‐free conditions were performed with minimum energy utilization.
Synthesis of Terminal Vinylindoles via RhIII‐Catalyzed Direct C−H Alkenylation with Potassium Vinyltrifluoroborate
Authors: Zhou Chun‐Ni , Xie Hao‐Hao , Zheng Zi‐Ang , Xiao Yuan‐Chao , Li Gen , Shen Yang‐Huan , Peng Wang‐Ming , Wang Liang 
Published: February 2018

AbstractAn efficient RhIII‐catalyzed direct C2‐alkenylation of indoles using readily available potassium vinyltrifluoroborate under mild conditions has been developed. This protocol features wide substrate scope and excellent functional group compatibility, enabling a facile access to diverse terminal vinylindoles in moderate to good yields. Furthermore, the C2‐alkenylated indole can be easily transformed into 9H‐carbazole through a ring‐closing metathesis/aromatization cascade.
Polymer Electron Acceptors Based on Fluorinated Isoindigo Unit for Polymer Solar Cells
Authors: Miao Junhui , Xu Han , Meng Bin , Liu Jun , Wang Lixiang 
Published: February 2018

AbstractMost of efficient polymer electron acceptors for polymer solar cells (PSCs) are based on naphthalene diimide or perylene diimide as the electron deficient building block. In this paper, for the first time, we report polymer electron acceptors based on fluorinated isoindigo (F‐IID) as the electron deficient building block. We synthesized two polymer electron acceptors consisting of alternating F‐IID unit and thiophene/selenophen unit. They show low‐lying LUMO/HOMO energy levels of –3.69/–5.69 eV, high electron mobilities of 1.31×10–5 cm2·V–1·s–1 and broad absorption spectra with the optical bandgap of 1.61 eV. PSC devices using the two F‐IID‐based polymers as polymer electron acceptors show encouraging power conversion efficiencies (PCEs) of up to 1.50% with an open‐circuit voltage (VOC) of 0.97 V, a short‐circuit current density (JSC) of 2.91 mA·cm–2, and a fill factor (FF) of 53.2%. This work suggests a new kind of polymer electron acceptors based on F‐IID unit.