bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding Film Formation Morphology and Orientation in High Member 2D Ruddlesden–Popper Perovskites for High‐Efficiency Solar Cells
Authors: Soe Chan Myae Myae , Nie Wanyi , Stoumpos Constantinos C. , Tsai Hsinhan , Blancon Jean‐Christophe , Liu Fangze , Even Jacky , Marks Tobin J. , Mohite Aditya D. , Kanatzidis Mercouri G. 
Published: September 2017

Abstract2D Ruddlesden–Popper (RP) perovskites have recently emerged as promising candidates for hybrid perovskite photovoltaic cells, realizing power‐conversion efficiencies (PCEs) of over 10% with technologically relevant stability. To achieve solar cell performance comparable to the state‐of‐the‐art 3D perovskite cells, it is highly desirable to increase the conductivity and lower the optical bandgap for enhanced near‐IR region absorption by increasing the perovskite slab thickness. Here, the use of the 2D higher member (n = 5) RP perovskite (n‐butyl‐NH3)2(MeNH3)4Pb5I16 in depositing highly oriented thin films from dimethylformamide/dimethylsulfoxide mixtures using the hot‐casting method is reported. In addition, they exhibit superior environmental stability over thin films of their 3D counterpart. These films are assembled into high‐efficiency solar cells with an open‐circuit voltage of ≈1 V and PCE of up to 10%. This is achieved by fine‐tuning the solvent ratio, crystal growth orientation, and grain size in the thin films. The enhanced performance of the optimized devices is ascribed to the growth of micrometer‐sized grains as opposed to more typically obtained nanometer grain size and highly crystalline, densely packed microstructures with the majority of the inorganic slabs preferentially aligned out of plane to the substrate, as confirmed by X‐ray diffraction and grazing‐incidence wide‐angle X‐ray scattering mapping.
Polymer:Nonfullerene Bulk Heterojunction Solar Cells with Exceptionally Low Recombination Rates
Authors: Gasparini Nicola , Salvador Michael , Heumueller Thomas , Richter Moses , Classen Andrej , Shrestha Shreetu , Matt Gebhard J. , Holliday Sarah , Strohm Sebastian , Egelhaaf Hans‐Joachim , Wadsworth Andrew , Baran Derya , McCulloch Iain , Brabec Christoph J. 
Published: September 2017

AbstractOrganic semiconductors are in general known to have an inherently lower charge carrier mobility compared to their inorganic counterparts. Bimolecular recombination of holes and electrons is an important loss mechanism and can often be described by the Langevin recombination model. Here, the device physics of bulk heterojunction solar cells based on a nonfullerene acceptor (IDTBR) in combination with poly(3‐hexylthiophene) (P3HT) are elucidated, showing an unprecedentedly low bimolecular recombination rate. The high fill factor observed (above 65%) is attributed to non‐Langevin behavior with a Langevin prefactor (β/βL) of 1.9 × 10−4. The absence of parasitic recombination and high charge carrier lifetimes in P3HT:IDTBR solar cells inform an almost ideal bimolecular recombination behavior. This exceptional recombination behavior is explored to fabricate devices with layer thicknesses up to 450 nm without significant performance losses. The determination of the photoexcited carrier mobility by time‐of‐flight measurements reveals a long‐lived and nonthermalized carrier transport as the origin for the exceptional transport physics. The crystalline microstructure arrangement of both components is suggested to be decisive for this slow recombination dynamics. Further, the thickness‐independent power conversion efficiency is of utmost technological relevance for upscaling production and reiterates the importance of understanding material design in the context of low bimolecular recombination.
Boosting the Catalytic Performance of Metal–Organic Frameworks for Steroid Transformations by Confinement within a Mesoporous Scaffold
Authors: Cirujano Francisco G. , Luz Ignacio , Soukri Mustapha , Van Goethem Cedric , Vankelecom Ivo F. J. , Lail Marty , De Vos Dirk E. 
Published: September 2017

AbstractSolid‐state crystallization achieves selective confinement of metal–organic framework (MOF) nanocrystals within mesoporous materials, thereby rendering active sites more accessible compared to the bulk‐MOF and enhancing the chemical and mechanical stability of MOF nanocrystals. (Zr)UiO‐66(NH2)/SiO2 hybrid materials were tested as efficient and reusable heterogeneous catalysts for the synthesis of steroid derivatives, outperforming the bulk (Zr)UiO‐66(NH2) MOF. A clear correlation between the catalytic activity of the dispersed Zr sites present in the confined MOF, and the loading of the mesoporous SiO2, is demonstrated for steroid transformations.
Selective Utilization of the Methoxy Group in Lignin to Produce Acetic Acid
Authors: Mei Qingqing , Liu Huizhen , Shen Xiaojun , Meng Qinglei , Liu Hangyu , Xiang Junfeng , Han Buxing 
Published: September 2017

AbstractSelective transformation of lignin into a valuable chemical is of great importance and challenge owing to its complex structure. Herein, we propose a strategy for the transformation of methoxy group (‐OCH3) which is abundant in lignin into pure highly valuable chemicals. As an example to apply this strategy, a route to produce acetic acid with high selectivity by conversion of methoxy group of lignin was developed. It was demonstrated that the methoxy group in lignin could react with CO and water to generate acetic acid over RhCl3 in the presence of a promoter. The conversions of methoxy group in the kraft lignin and organosolv lignin reached 87.5 % and 80.4 %, respectively, and no by‐product was generated. This work opens the way to produce pure chemicals using lignin as the feedstock.
Catalytic Enantioselective Synthesis of Highly Functionalized Difluoromethylated Cyclopropanes
Authors: Bos Maxence , Huang Wei‐Sheng , Poisson Thomas , Pannecoucke Xavier , Charette André B. , Jubault Philippe 
Published: September 2017

AbstractThe first catalytic asymmetric synthesis of highly functionalized difluoromethylated cyclopropanes is described. The method, based on a rhodium‐catalyzed cyclopropanation of difluoromethylated olefins, gives access to a broad range of cyclopropanes bearing ester, ketone, or nitro functional groups. By using Rh2((S)‐BTPCP)4 as a catalyst, the corresponding products were obtained in high yields and high diastereo‐ and enantioselectivities (up 20:1 d.r. and 99 % ee). This methodology allowed preparation of enantioenriched difluoromethylcyclopropanes for the first time.
Engineered Fluorine Metabolism and Fluoropolymer Production in Living Cells
Authors: Thuronyi B W. , Privalsky Thomas M. , Chang Michelle C. Y. 
Published: September 2017

AbstractFluorine has become an important element for the design of synthetic molecules for use in medicine, agriculture, and materials. Despite the many advantages provided by fluorine for tuning key molecular properties, it is rarely found in natural metabolism. We seek to expand the molecular space available for discovery through the development of new biosynthetic strategies that cross synthetic with natural compounds. Towards this goal, we engineered a microbial host for organofluorine metabolism and show that we can achieve the production of the fluorinated diketide 2‐fluoro‐3‐hydroxybutyrate at approximately 50 % yield. This fluorinated diketide can be used as a monomer in vivo to produce fluorinated poly(hydroxyalkanoate) (PHA) bioplastics with fluorine substitutions ranging from around 5–15 %. This system provides a platform to produce mm flux through the key fluoromalonyl coenzyme A (CoA) building block, thereby offering the potential to generate a broad range of fluorinated small‐molecule targets in living cells.
Recent Developments in Lanthanide Single‐Molecule Magnets
Authors: Lu Jingjing , Guo Mei , Tang Jinkui 
Published: September 2017

AbstractSingle‐molecule magnets (SMMs) exhibiting slow relaxation of magnetization of purely molecular origin are highly attractive owing to their potential applications in spintronic devices, high‐density information storage, and quantum computing. In particular, lanthanide SMMs have been playing a major role in the advancement of this field because of the large intrinsic magnetic anisotropy of lanthanide metal ions. Herein, some recent breakthroughs that are changing the perspective of the field are highlighted, with special emphasis on synthetic strategies towards the design of high‐performance SMMs.
Children with autism spectrum disorder who improve with fever: Insights from the Simons Simplex Collection
Authors: Grzadzinski Rebecca , Lord Catherine , Sanders Stephan J. , Werling Donna , Bal Vanessa H. 
Published: September 2017

Literature indicates that some children with ASD may show behavioral improvements during fever; however, little is known about the behavioral profiles of these children. This study aims to (a) investigate the subset of children who show parent‐reported behavioral improvements associated with fever and (b) compare the demographic, behavioral, and genetic characteristics of this subset of children to children whose parents report no change during fever. Parents of 2,152 children from the Simons Simplex Collection provided information about whether and in which areas their child improved during fever. Children were randomly assigned into discovery or replication samples. In discovery analyses, children who reportedly improved with fever (Improve Group) were compared to those who reportedly did not improve (No Improve Group) on demographics, medical history, ASD symptoms, adaptive skills, and presence of de novo ASD‐associated mutations. Significant and marginal results from discovery analyses were tested in the replication sample. Parent reports of 17% of children indicated improvements during fever across a range of domains. Discovery and replication analyses revealed that the Improve Group had significantly lower non‐verbal cognitive skills (NVIQ) and language levels and more repetitive behaviors. Groups did not differ on demographic variables, parent‐report of current ASD symptoms or the presence of de novo mutations. Understanding the profiles of children who improve during episodes of fever may provide insights into innovative treatments for ASD. Autism Res 2018, 11: 175–184. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryThis study explored characteristics of children with ASD who are reported to improve during fever. Parents of 17% of children with ASD report improvements across a range of domains during fever including cognition, communication, repetitive behaviors, social interaction, and behavior. Children who are reported to improve during fever have significantly lower non‐verbal cognitive skills and language levels and more repetitive behaviors. Understanding the profiles of children who improve during episodes of fever may provide insights into new treatments for ASD.
Beschriften, Wiederfinden und Reaktivieren: Die Rolle von Objektträgeretiketten im Auffindsystem am Beispiel von Alzheimers Auguste‐D.‐Präparaten
Authors: Bock von Wülfingen Bettina 
Published: September 2017

AbstractLabeling, Recovering and Reactivating: The Role of Labels on Microscope Slides in the Finding System on the Basis of Alzheimer's Auguste D. Preparations. This study discusses the role of labels in the process of the reactivation (Rheinberger) of preparations. Labels on slides together with corresponding lists on cards or sheets build what is here called a specific finding system. In the sciences of the archive (Daston) the disciplinary memory together with such a finding system are the basis to the ability of the sciences today to reactivate preparations from the beginning of the last century as it occurs with the Auguste D. preparations. The case of Alzheimer's micropreparations of brain parts of Auguste D. – the case that he used to show that hers was a specific brain disease unknown before – serves to describe Alzheimer's writing on the labels. It is compared to slides and labels prepared by other medical researchers between the 1890s and 1920s and the respective finding systems. Being an epistemologicum, micropreparations, as they are data, in their hybrid status of both image and material in one, cross the boundaries between icon and index. This is proven by the reactivation of Auguste D. micropreparations in molecular biological studies over 100 years after their production.
Das Meer beschreiben: Schriftlichkeitspraktiken der Masters der Royal Navy im langen 18. Jahrhundert
Authors: Moser Lena 
Published: September 2017

AbstractDescribing the Seas: Writing Practices of the Masters of the Royal Navy in the Long Eighteenth Century. The masters (that is, navigating officers) of the Royal Navy in the long eighteenth century are usually associated more with practical knowledge and experience than with an involvement with learned or ‚book‘ knowledge. However, their professional practices were based to a high degree on the usage and production of texts. This article examines how literary practices shaped the production of hydrographic knowledge by masters, in how far these practices resembled those of learned culture at the time, and how masters employed them to gain access to the scientific community.
Dual‐Pore Carbon Shells for Efficient Removal of Humic Acid from Water
Authors: Yu Hongxia , Zhang Qiao , Dahl Michael , Joo Ji Bong , Wang Xin , Wang Lianjun , Yin Yadong 
Published: September 2017

AbstractA template‐mediated process for the preparation of mesoporous carbon shells with high surface area, dual‐pore structure, and excellent performance in the adsorption of humic acid is reported. Their synthesis involves templating phenolic resin against wrinkled silica nanospheres, subsequent carbonization under Ar atmosphere, and final release of dual‐pore mesoporous carbon shells by etching the silica templates. An additional silica layer was used to protect the phenolic resin from aggregation during carbonization, and its subsequent removal gives the carbon shells a hydrophilic surface, which significantly improves their dispersity in aqueous media. When used as adsorbents for humic acid removal, the as‐prepared dual‐pore mesoporous carbon shells show superior adsorption performance to activated carbon.
Reduced Oxygenated g‐C3N4 with Abundant Nitrogen Vacancies for Visible‐Light Photocatalytic Applications
Authors: Sun Na , Liang Yan , Ma Xujun , Chen Feng 
Published: September 2017

AbstractA novel g‐C3N4 photocatalyst (RCNO) with abundant nitrogen vacancies and oxygen‐containing electron‐withdrawing groups was prepared. Oxygen was gradually introduced into the g‐C3N4 structure by a hydrothermal hydrolysis/condensation process, and nitrogen vacancies were produced with H2 reduction. The presence of nitrogen vacancies reduced the conduction band energy of g‐C3N4 from −0.75 to −0.5 eV and introduced plenty of defect levels in the band gap (just below the conductive band with a width of 0.45 eV). The oxygenation of g‐C3N4 induced the formation of oxygen‐containing functional groups, such as C=O and C−O, as well as effectively enhancing the separation efficiency of photogenerated carriers and reducing the valence band energy from 2.05 to 2.30 eV. Therefore, the photocatalytic activity and photocurrent responses of RCNO were about nine and eight times higher than that of g‐C3N4, respectively.
Study on the slurry ability and combustion behaviour of coal‐bioferment residue of drugs‐slurry
Authors: Wang Jinqian , Liu Jianzhong , Jin Yuqi , Li Dedi , Cen Kefa 
Published: September 2017

AbstractBioferment residue of drugs (BRD) is one kind of harmful and hazardous substance which has complex compositions. Thus, proper treatment of these residues has become an important concern. BRD can be utilized harmlessly and economically by mixing it with coal powder, water, and dispersant to prepare slurry fuel, named as coal‐BRD‐slurry (CBRDS). In this study, the influence of BRD on the slurry ability and combustion behaviour of CBRDS was investigated with coal water slurry (CWS) as reference. Results showed that the dispersant can reduce the slurry viscosity of CBRDS and CWS, and its optimum dosage was 0.6 wt% on the dried coal basis. The fixed‐viscosity concentration of CBRDS decreased with increasing BRD dosage. CBRDS and CWS exhibited shear‐thinning behaviour. The rheological behaviour was fitted by the power law. CBRDS exhibited higher apparent viscosity and stronger shear‐thinning behaviour because of the flocculent structure and well‐developed pores of the BRD. BRD can improve the stability of CWS by decreasing solid‐liquid separation of the slurry. Addition of BRD decreased the ignition temperature and increased the ash residues, suggesting a synergistic effect of CWS and BRD occurred during the combustion of CBRDS.
Issues in vaccinology: Present challenges and future directions
Authors: Sheerin Dylan , Openshaw Peter JM , Pollard Andrew J 
Published: September 2017

AbstractVaccination is a principal and highly cost‐effective means of controlling infectious diseases, providing direct protection against pathogens by conferring long‐lasting immunological memory and inducing population‐level herd immunity. Despite rapid ongoing progress in vaccinology, there remain many obstacles to the development and deployment of novel or improved vaccines; these include the underlying science of how to induce and sustain appropriate protective immune responses as well as bureaucratic, logistic and socio‐political hurdles. The failure to distribute and administer existing vaccines to at‐risk communities continues to account for a large proportion of infant mortality worldwide: almost 20 million children do not have access to basic vaccines and several million still die each year as a result. While emerging epidemic or pandemic diseases pose a significant threat to global health and prosperity, there are many infectious diseases which provide a continuous or cyclical burden on healthcare systems which also need to be addressed. Gaps in knowledge of the human immune system stand in the way of developing technologies to overcome individual and pathogenic variation. The challenges in tackling infectious disease and directions that the field of preventive medicine may take to improve the current picture of global health are the focus of this review.
Cyclometalated Rhodium(III) Complexes Based on Substituted 2‐Phenylpyridine Ligands: Synthesis, Structures, Photophysics, Electrochemistry, and DNA‐Binding Properties
Authors: Liang Haoran , Hao Taotao , Yin Changzhen , Yang Xi , Fu Haiyan , Zheng Xueli , Li Ruixiang , Xiao Dan , Chen Hua 
Published: September 2017

AbstractInvited for the cover of this issue are the groups of Dan Xiao and Hua Chen from Sichuan University, China. The cover image shows the interaction of rhodium complexes with DNA, as inspired by the Chinese classical novel “Romance of the Three Kingdoms”.
Olive Pomace in Diet Limits Lipid Peroxidation of Sausages from Cinta Senese Swine
Authors: Serra Andrea , Conte Giuseppe , Giovannetti Manuela , Casarosa Laura , Agnolucci Monica , Ciucci Francesca , Palla Michela , Bulleri Eleonora , Cappucci Alice , Servili Maurizio , Mele Marcello 
Published: September 2017

In order to examine whether olive pomace (OP), the mean by‐product of olive oil extraction, can be included in the animal diet, its effect on the raw mixture and sausages made from meat from OP‐fed Cinta Senese swine is tested by comparing it with a diet supplemented with high oleic sunflower oil (SO) and a control diet (C). Proximate composition, pH, color, total culturable bacteria, lactic acid bacteria (LAB), and lipid oxidation are evaluated in both the raw mixture and sausages. The aroma profile is also evaluated in sausages. Olive pomace affected the fatty acid composition of the raw mixture and strongly limited the lipid peroxidation of sausages, probably due to the synergistic action of 3,4‐DHPEA and α‐tocopherol. Olive pomace selectively promotes LAB growth, and protected the raw mixture and sausages from discoloration. The diet also affected the content of volatile organic compounds thus enabling OP sausages to be distinguished from other sausages.Practical Applications: The protection of foods against lipid peroxidation is a very important aspect in terms of their quality. Achieving this naturally is a high priority for consumers, as there is an increasing demand for “low impact” and “environment‐safe” production processes. The approach proposed in the present study is aimed at meeting both these objectives. Our findings demonstrate that the inclusion of olive pomace in the swine diet effectively slowed down the lipid oxidation in the sausages. The strategy we propose also meets both economic and ecological goals. Olive pomace is the main by‐product of olive oil spinneret, and its re‐use in another spinneret is a cost‐effective way of improving the sustainability of the production process.Three different kinds of sausages are made. The experiment is aimed at studying the effect of olive pomace (OP) in controling the progression of lipid oxidation. OP have protected sausages against cholesterol oxidation, thus limiting the production of COPs (α‐hydroxycholesterol, α‐epoxycholesterol, and 7‐ketocholesterol). The most probable mechanism is attributable to electron or H+ donor properties of polyphenols contained in olive pomace.
Improving power of association tests using multiple sets of imputed genotypes from distributed reference panels
Authors: Zhou Wei , Fritsche Lars G. , Das Sayantan , Zhang He , Nielsen Jonas B. , Holmen Oddgeir L. , Chen Jin , Lin Maoxuan , Elvestad Maiken B. , Hveem Kristian , Abecasis Goncalo R. , Kang Hyun Min , Willer Cristen J. 
Published: September 2017

ABSTRACTThe accuracy of genotype imputation depends upon two factors: the sample size of the reference panel and the genetic similarity between the reference panel and the target samples. When multiple reference panels are not consented to combine together, it is unclear how to combine the imputation results to optimize the power of genetic association studies. We compared the accuracy of 9,265 Norwegian genomes imputed from three reference panels—1000 Genomes phase 3 (1000G), Haplotype Reference Consortium (HRC), and a reference panel containing 2,201 Norwegian participants from the population‐based Nord Trøndelag Health Study (HUNT) from low‐pass genome sequencing. We observed that the population‐matched reference panel allowed for imputation of more population‐specific variants with lower frequency (minor allele frequency (MAF) between 0.05% and 0.5%). The overall imputation accuracy from the population‐specific panel was substantially higher than 1000G and was comparable with HRC, despite HRC being 15‐fold larger. These results recapitulate the value of population‐specific reference panels for genotype imputation. We also evaluated different strategies to utilize multiple sets of imputed genotypes to increase the power of association studies. We observed that testing association for all variants imputed from any panel results in higher power to detect association than the alternative strategy of including only one version of each genetic variant, selected for having the highest imputation quality metric. This was particularly true for lower frequency variants (MAF < 1%), even after adjusting for the additional multiple testing burden.