bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insulator as Efficient Hole Injection Layer in Perovskite Light‐Emitting Device via MIS Contact
Authors: Mai Chaohuang , Yu Danmu , Li Jiali , Huang Guohui , Zheng Hua , Mu Lan , Cun Yangke , Wang Juanhong , Xie Gancheng , Wang Jian , Peng Junbiao , Cao Yong 
Published: April 2020

AbstractPolymer insulator is employed as efficient hole injection layer (HIL) in lead halide perovskites light‐emitting diodes (PeLEDs) for the first time, by revealing that metal–insulator–semiconductor (MIS) contact is responsible for the hole‐injection mechanism in PeLEDs with indium tin oxide (ITO)/insulator/perovskite structure. For MIS contact of ITO/insulator/perovskite, the electric field is concentrated in the insulator layer, thereby reducing the tunneling distance from ITO to perovskite. By studying the transient current response, it is confirmed that the accumulation of both electrons and ions at the insulator/perovskite interface is responsible for the screening of electric field. With polystyrene (PS) as hole injection layer, the device exhibits a much better device performance than that of PeLEDs with regular polyvinylcarbazole (PVK) HIL, even though the resistivity of PS is 5 orders of magnitude higher than that of PVK, which confirms the universal applicability of MIS contact. By optimizing the thickness of PS layer, the performance of FAPbBr3‐based device achieves a turn‐on voltage of 2.8 V, a peak luminous efficiency of 44.7 cd A−1, and an external quantum efficiency of 10.6%.
Deep Eutectic Solvent‐Mediated Construction of Oxygen Vacancy‐Rich Fe‐Based Electrocatalysts for Efficient Oxygen Evolution Reaction
Authors: Liu Shuai , Chen Tingting , Ying Hao , Li Zhonghao , Hao Jingcheng 
Published: April 2020

AbstractFe‐based catalysts are promising candidates for water splitting due to the abundant reserves of Fe. However, their electrocatalytic performance toward the oxygen evolution reaction (OER) is still unsatisfactory. Herein, a new hybrid catalyst of Fe7S8/Fe2O3 is designed via a deep eutectic solvent (DES)‐based strategy. The Fe7S8/Fe2O3 particles are in a porous nanosheet structure and possess oxygen vacancy‐rich characteristics. The porous nanosheet structure and oxygen vacancy‐rich Fe2O3 in the Fe7S8/Fe2O3 significantly improves the electrocatalytic activity toward the OER. The as‐prepared Fe7S8/Fe2O3 nanosheets demonstrate a small overpotential of 229 mV at a current density of 10 mA cm−2 with a small Tafel slope of 49 mV dec−1, which outperform most of the state‐of‐the‐art Fe‐based catalysts. This work not only reports a new Fe‐based electrocatalyst with an improved performance toward the OER but also provides a rational DES‐based strategy for construction of advanced catalysts.
Optimized Metal Chalcogenides for Boosting Water Splitting
Authors: Yin Jie , Jin Jing , Lin Honghong , Yin Zhouyang , Li Jianyi , Lu Min , Guo Linchuan , Xi Pinxian , Tang Yu , Yan Chun‐Hua 
Published: April 2020

AbstractElectrocatalytic water splitting (2H2O → 2H2 + O2) is a very promising avenue to effectively and environmentally friendly produce highly pure hydrogen (H2) and oxygen (O2) at a large scale. Different materials have been developed to enhance the efficiency for water splitting. Among them, chalcogenides with unique atomic arrangement and high electronic transport show interesting catalytic properties in various electrochemical reactions, such as the hydrogen evolution reaction, oxygen evolution reaction, and overall water splitting, while the control of their morphology and structure is of vital importance to their catalytic performance. Herein, the general synthetic methods are summarized to prepare metal chalcogenides and different strategies are designed to improve their catalytic performance for water splitting. The remaining challenges in the research and development of metal chalcogenides and possible directions for future research are also summarized.
Frequent soil surfactant applications influence anthracnose on an annual bluegrass research green
Authors: Mattox Clint , Dumelle Michael , Kowalewski Alec , McDonald Brian , Gould Micah , McMillan Mica 
Published: April 2020

AbstractAnthracnose is a turfgrass disease caused by the fungal pathogen Colletotrichum cereale Manns and can cause severe damage to annual bluegrass putting greens. Most turfgrass managers use fungicides to manage anthracnose, although legislation in some locations are compelling managers to seek fungicide alternatives. This 2‐yr field experiment in western Oregon evaluated different rates and application intervals of a soil surfactant—either in combination or in the absence of a spring hollow‐tine aerification on anthracnose severity—on an annual bluegrass (Poa annua L. var. reptans) research green. The highest rate of the soil surfactant applied once or twice a week consistently reduced anthracnose severity in both years compared to the nontreated control, although these applications corresponded to four and eight times the monthly label rate. A quarter of the label rate applied once a week suppressed anthracnose at the peak of disease in the second year and as measured by area under disease progress curves in both years. Spring aerification had no effect on anthracnose severity. Area under volumetric water content progress curves calculated using weekly measurements at a 38‐mm depth were not correlated with area under disease progress curves. The volumetric water content percentage was normally above 25%, reducing the risk of confounding between drought stress and treatments on anthracnose suppression. The highest rate of soil surfactant applied at the most frequent interval was the only treatment to receive acceptable turfgrass quality ratings over both years.
Dual‐function catalysis in propane dehydrogenation over Pt1–Ga2O3 catalyst: Insights from a microkinetic analysis
Authors: Chang Qing‐Yu , Wang Kai‐Qi , Hu Ping , Sui Zhi‐Jun , Zhou Xing‐Gui , Chen De , Yuan Wei‐Kang , Zhu Yi‐An 
Published: April 2020

AbstractThe kinetics of propane dehydrogenation over single‐Pt‐atom‐doped Ga2O3 catalyst has been examined by combining density functional theory calculations and microkinetic analysis. The doping of Pt not only can improve the selectivity of the Ga2O3 catalyst by hindering the deep dehydrogenation reactions but also helps to achieve a long‐term stability by improving the resistance of Ga2O3 to hydrogen reduction. Microkinetic analysis indicates that upon Pt doping the turnover frequency for propane consumption is increased by a factor of 2.8 under typical operating conditions, as compared to the data on the pristine Ga2O3 surface. The calculated results suggest that the Pt1–Ga2O3 catalyst shows a bifunctional character in this reaction where the Pt–O site brings about dehydrogenation while the Ga–O site is active for desorbing H2, which provides a beautiful explanation for the previous experimental observation that even trace amounts of Pt can dramatically improve the catalytic performance of Ga2O3.
In vitro safety evaluation of a povidone‐iodine solution applied to human nasal epithelial cells
Authors: Ramezanpour Mahnaz , Smith Jason L.P. , Psaltis Alkis J. , Wormald Peter J. , Vreugde Sarah 
Published: April 2020

BackgroundNasal topical treatments can provide an effective method of disease control for patients suffering from chronic rhinosinusitis (CRS). However, some frequently used formulations lack adequate evaluation on their safety. This study investigated the effect of 0.5% povidone‐iodine (Nasodine) on the sinonasal epithelial barrier and ciliated human nasal epithelial cells (HNECs) in vitro.MethodsNasodine was applied to air‐liquid interface (ALI) cultures of primary HNECs from CRS patients. Epithelial barrier structure was assessed by measuring the transepithelial electrical resistance (TEER), paracellular permeability, and immunolocalization of the zona occludens‐1 (ZO‐1) tight junction protein. Toxicity and ciliary beat frequency (CBF) were also studied.ResultsNasodine was not toxic and did not have detrimental effects on the paracellular permeability or CBF. Nasodine did not show a significant reduction in TEER with a 5‐minute exposure; however, with a 30‐minute exposure there was a significant reduction in TEER at 1 hour and at 4 hours after exposure.ConclusionApplication of Nasodine to HNEC‐ALI cultures in vitro for up to 30 minutes was not toxic and did not affect the paracellular permeability or CBF.
Liganden‐vermittelte γ‐C(sp3)‐H‐Olefinierung freier Carbonsäuren
Authors: Ghosh Kiron Kumar , Uttry Alexander , Mondal Arup , Ghiringhelli Francesca , Wedi Philipp , van Gemmeren Manuel 
Published: April 2020

AbstractWir beschreiben die Liganden‐vermittelte C‐H‐Aktivierung/Olefinierung freier Carbonsäuren in der γ‐Position. Durch eine intramolekulare Michael‐Addition werden δ‐Lactone als Produkte erhalten. Es wurden zwei verschiedene Ligandenklassen identifiziert, welche die anspruchsvolle palladiumkatalysierte Aktivierung freier Carbonsäuren in der γ‐Position ermöglichen. Das entwickelte Protokoll zeichnet sich durch ein breites Spektrum sowohl an Carbonsäuren, als auch an olefinischen Reaktionspartnern aus und ist in einem präparativ nützlichem Maßstab durchführbar. Kinetische Untersuchungen liefern Einblicke in den zugrundeliegenden Reaktionsmechanismus.
Atomically Precise Crystalline Materials Based on Kinetically Inert Metal Ions via Reticular Mechanopolymerization
Authors: Gao Wen‐Yang , Sur Aishanee , Wang Chen‐Hao , Lorzing Gregory R. , Antonio Alexandra M. , Taggart Garrett A. , Ezazi Andrew A. , Bhuvanesh Nattamai , Bloch Eric D. , Powers David C. 
Published: April 2020

AbstractAtomistic control of the coordination environment of lattice ions and the distribution of metal sites within crystalline mixed‐metal coordination polymers remain significant synthetic challenges. Herein is reported the mechanochemical synthesis of a reticular family of crystalline heterobimetallic metal–organic frameworks (MOFs) is now achieved by polymerization of molecular Ru2[II,III] complexes, featuring unprotected carboxylic acid substituents, with Cu(OAc)2. The resulting crystalline heterobimetallic MOFs are solid solutions of Ru2 and Cu2 sites housed within [M3L2] phases. The developed mechanochemical strategy is modular and allows for systematic control of the primary coordination sphere of the Ru2 sites within an isoreticular family of materials. This strategy is anticipated to provide a rational approach to atomically precise mixed‐metal materials.
2‐Aminobenzenethiol‐Functionalized Silver‐Decorated Nanoporous Silicon Photoelectrodes for Selective CO2 Reduction
Authors: Kan Miao , Yan Zhifei Wang , Wang Xingtao , Hitt Jeremy L. , Xiao Langqiu , McNeill Jeffrey M. , Wang Yong , Zhao Yixin , Mallouk Thomas E. 
Published: April 2020

AbstractA molecularly thin layer of 2‐aminobenzenethiol (2‐ABT) was adsorbed onto nanoporous p‐type silicon (b‐Si) photocathodes decorated with Ag nanoparticles (Ag NPs). The addition of 2‐ABT alters the balance of the CO2 reduction and hydrogen evolution reactions, resulting in more selective and efficient reduction of CO2 to CO. The 2‐ABT adsorbate layer was characterized by Fourier transform infrared (FTIR) spectroscopy and modeled by density functional theory calculations. Ex situ X‐ray photoelectron spectroscopy (XPS) of the 2‐ABT modified electrodes suggests that surface Ag atoms are in the +1 oxidation state and coordinated to 2‐ABT via Ag−S bonds. Under visible light illumination, the onset potential for CO2 reduction was −50 mV vs. RHE, an anodic shift of about 150 mV relative to a sample without 2‐ABT. The adsorption of 2‐ABT lowers the overpotentials for both CO2 reduction and hydrogen evolution. A comparison of electrodes functionalized with different aromatic thiols and amines suggests that the primary role of the thiol group in 2‐ABT is to anchor the NH2 group near the Ag surface, where it serves to bind CO2 and also to assist in proton transfer.
Awake tracheal intubation in a suspected COVID‐19 patient with critical airway obstruction
Authors: Ahmad I. , Wade S. , Langdon A. , Chamarette H. , Walsh M. , Surda P. 
Published: April 2020

SummaryWe report the airway management of a patient with suspected COVID‐19 with impending airway obstruction requiring urgent surgical tracheostomy. To our knowledge, this is the first reported case of an awake tracheal intubation in a suspected COVID‐19–positive patient. Various modifications were put in place during the awake tracheal intubation and surgical tracheostomy procedures to minimise aerosol generation from the patient, such as avoiding high‐flow nasal oxygen, establishing conscious sedation with remifentanil before commencing airway topicalisation and avoiding transtracheal local anaesthetic infiltration. A multidisciplinary team discussion before performing the case highlighted aspects of both the airway management and the surgical procedure where particular care and modifications are required. There is a lack of national and international guidance for awake tracheal intubation and tracheostomy in COVID‐19 cases. This report nevertheless addresses the key procedural modifications required.
The effect of human land use change in the Hadley Centre attribution system
Authors: Lott Fraser C. , Christidis Nikolaos , Ciavarella Andrew , Stott Peter A. 
Published: April 2020

AbstractWe have investigated the effects of land use on past climate change by means of a new 15‐member ensemble of the HadGEM3‐A‐N216 model, usually used for event attribution studies. This ensemble runs from 1960 to 2013, and includes natural external climate forcings with the addition of human land use changes. It supports previously‐existing ensembles, either with only natural forcings, or with all forcings (both anthropogenic and natural, including land use changes), in determining the contribution to the change in risk of extreme events made by land use change. We found a significant difference in near‐surface air temperature trends over land, attributable to the effects of human land use. The main part of the signal derives from a relative cooling in Arctic regions which closely matches that of deforestation. This cooling appears to spread by polar amplification. A similar pattern of change is seen in latent heat flux trend, but significant rainfall change is almost entirely absent.
Synthesis and characterization of thermosensitive hydrogel based on quaternized chitosan for intranasal delivery of insulin
Authors: Bahmanpour AmirHossein , Ghaffari Maryam , Milan Peiman B. , Moztarzadeh Fathollah , Mozafari Masoud 
Published: April 2020

AbstractNasal administration is a form of systemic administration in which drugs are insufflated through the nasal cavity. Steroids, nicotine replacement, antimigraine drugs, and peptide drugs are examples of the available systematically active drugs as nasal sprays. For diabetic patients who need to use insulin daily, the nasal pathway can be used as an alternative to subcutaneous injection. In this regard, intranasal insulin delivery as a user‐friendly and systemic administration has recently attracted more attention. In this study, a novel formulation consists of chitosan, chitosan quaternary ammonium salt (HTCC), and gelatin (Gel) was proposed and examined as a feasible carrier for intranasal insulin administration. First, the optimization of the chitosan–HTCC hydrogel combination has done. Afterward, Gel with various amounts blended with the chitosan–HTCC optimized samples. In the next step, swelling rate, gelation time, degradation, adhesion, and other mechanical, chemical, and biological properties of the hydrogels were studied. Finally, insulin in clinical formulation and dosage was blended with optimized thermosensitive hydrogel and the release procedure of insulin was studied with electrochemiluminescence technique. The optimal formulation (consisted of 2 wt% chitosan, 1 wt% HTCC, and 0.5 wt% Gel) showed low gelation time, uniform pore structure, and the desirable swelling rate, which were resulted in the adequate encapsulation and prolonged release of insulin in 24 H. The optimal samples released 65% of the total amount of insulin in the first 24 H, which is favorable for this study.
Workers' self‐objectification and tendencies to conform to others
Authors: Baldissarri Cristina , Andrighetto Luca , Di Bernardo Gian A. , Annoni Andrea 
Published: April 2020

AbstractRecent research showed that workers' self‐objectification—their self‐perception as objects rather than human beings—leads to detrimental intrapersonal consequences. In the present research, we explored whether this phenomenon may also affect interpersonal relations, by increasing workers' tendencies to conform. In a correlational study, Italian workers who perceived their work as more objectifying self‐objectified more—self‐attributed less human mental states and self‐perceive as more instrument‐like than human‐like—and, in turn, were more inclined to conform with others. The second study experimentally confirmed this pattern, showing that British workers who recalled an objectifying (vs. a non‐objectifying) work experience self‐objectified more. Self‐perception as instrument‐like was associated, in turn, with an increased tendency to adapt to others' opinions. The implications for organizational and social psychology are discussed.
Coffin‐Lowry syndrome in a girl with 46,XX,t(X;11)(p22;p15)dn: Identification of RPS6KA3 disruption by whole genome sequencing
Authors: Yamoto Kaori , Saitsu Hirotomo , Fujisawa Yasuko , Kato Fumiko , Matsubara Keiko , Fukami Maki , Kagami Masayo , Ogata Tsutomu 
Published: April 2020

AbstractWe report a Japanese girl with Coffin‐Lowry syndrome phenotype such as hypertelorism, hypodontia, and tapering fingers and 46,XX,t(X;11)(p22;p15)dn. Whole genome sequencing revealed RPS6KA3 disruption by the translocation, and X‐inactivation analysis indicated preferential inactivation of the normal X chromosome. The results explain the development of an X‐linked disease in this girl.
Review and Prospect: Deep Learning in Nuclear Magnetic Resonance Spectroscopy
Authors: Chen Dicheng , Wang Zi , Guo Di , Orekhov Vladislav , Qu Xiaobo 
Published: April 2020

AbstractSince the concept of deep learning (DL) was formally proposed in 2006, it has had a major impact on academic research and industry. Nowadays, DL provides an unprecedented way to analyze and process data with demonstrated great results in computer vision, medical imaging, natural language processing, and so forth. Herein, applications of DL in NMR spectroscopy are summarized, and a perspective for DL as an entirely new approach that is likely to transform NMR spectroscopy into a much more efficient and powerful technique in chemistry and life sciences is outlined.
Inversion of the Axial Information during Oxidative Aromatization in the Synthesis of Axially Chiral Biaryls with Organocatalysis as a Key Step
Authors: Koshino Seitaro , Takikawa Akira , Ishida Keiichi , Taniguchi Tohru , Monde Kenji , Kwon Eunsang , Umemiya Shigenobu , Hayashi Yujiro 
Published: April 2020

AbstractInvited for the cover of this issue is the group of Yujiro Hayashi at the University of Tohoku University. The image depicts the spinning motion of a figure skater, which illustrates the transformation of the chiral information investigated in this work. Read the full text of the article at 10.1002/chem.201905814.
Modification of Yttrium Silyl‐Bridged Amide Alkyl Complexes through Si−H/C−H Cross‐Dehydrocoupling of Silanes with a Silylamino Ligand: Synthesis, Reactivity, and Mechanism
Authors: You Qing , Zhang Jie , Zhou Xigeng 
Published: April 2020

AbstractA new method for the modification of a silylamino ligand has been developed through mono and dual C(sp3)−H/Si−H cross‐dehydrocoupling with silanes. The reaction of [LY{η2‐(C,N)‐CH2Si(Me2)NSiMe3}] (L=bis(2,6‐diisopropylphenyl)‐β‐diketiminato, L′ (1L′); L=tris(3,5‐dimethylpyrazolyl)borate, TpMe2 (1TpMe2)) with 2 equivalents of PhSiH3 in toluene gave the complexes [LY{η2‐(C,N)‐C(SiH2Ph)2Si(Me2)NSiMe3}] (L=L′ (2L’); L=TpMe2 (2TpMe2)). Moreover, 1TpMe2 reacted with the secondary silanes Ph2SiH2 and Et2SiH2 to afford the corresponding mono C−H activation products [TpMe2Y{η2‐(C,N)‐CH(SiHR2)Si(Me2)NSiMe3}] (R=Ph (4 b); R=Et (4 c)). The equimolar reaction of 1TpMe2 with PhSiH3 also produced the mono C−H activation product 4 a ([TpMe2Y{η2‐(C,N)‐CH(SiH2Ph)Si(Me2)NSiMe3}(thf)]). A study of their reactivity showed that4 a facilely reacted with 2 equivalents of benzothiazole by an unusual 1,1‐addition of the C=N bond of the benzothiazolyl unit to the Si−H bond to give the C−H/Si−H cross‐dehydrocoupling product [(TpMe2)Y{η3‐(N,N,N)‐N(SiMe3)SiMe2CH2Si(Ph)(CSC6H4N)(CHSC6H4N)}] (5). These results indicate that this modification endows the silylamino ligand with novel reactivity.
Sequential self‐catalytic reactions in the formation of hetero‐double‐helix and their self‐assembled gels by pseudoenantiomer mixtures of ethynylhelicene oligomers
Authors: Sawato Tsukasa , Yamaguchi Masahiko 
Published: April 2020

AbstractA 1:1 mixture of pseudoenantiomer ethynylhelicene (P)‐pentamer and (M)‐tetramer in toluene formed hetero‐double‐helix and their self‐assembled gels. Kinetic analysis under isothermal conditions showed a complex nonlinear nature with regard to temperature changes. At 60°C, sigmoidal kinetics were observed, which disappeared after seeding with the self‐assembled gels. These findings indicate the involvement of self‐catalytic reaction I, in which a hetero‐double‐helix catalyzes the reaction to form a hetero‐double‐helix from random‐coils. At 20°C, stairwise biphasic kinetics were observed, which disappeared after seeding. This phenomenon was explained by the involvement of two reactions with sigmoidal kinetics, namely, the formation of self‐assembled gel I from hetero‐double‐helix by self‐catalytic reaction II and the formation of self‐assembled gel II by self‐catalytic reaction III. Constant‐rate temperature change experiments between 90 and 5°C showed nonsigmoidal thermal hysteresis in accordance with the involvement of sequential self‐catalytic reactions with different reaction rates.
Hydrogenation to convert CO2 to C1 chemicals: Technical comparison of different alternatives by process simulation
Authors: Barbera Elena , Mantoan Fabio , Bertucco Alberto , Bezzo Fabrizio 
Published: April 2020

AbstractCarbon dioxide (CO2) conversion by catalytic reaction with hydrogen to produce different C1 chemicals is a promising strategy in view of the development of a sustainable chemical industry. In this work, two CO2 hydrogenation routes are investigated in detail, respectively syngas and formic acid syntheses. Starting from published experimental reaction data, simulation models based on a kinetic analysis were developed and implemented in Aspen Plus process simulator. The two processes are analyzed according to a number of selected technological indicators, comprising CO2 conversion, specific H2 consumption, product yield, energy duties, and carbon emissions. To extend our study, three additional CO2 conversion pathways are considered, respectively methanol, methane, and urea syntheses, whose technological performances were retrieved from similar studies available in the scientific literature. Under the assumption that H2 is available from renewable sources, our results highlight that CO2 conversion routes towards fuel compounds (ie, syngas and methane) look particularly appealing from the energy balance point of view. If non‐renewable energy is used to produce H2, the actual environmental benefits (in terms of net CO2 emissions) strongly depend on the country‐specific carbon intensity for electricity generation.
Reactor Technology Concepts for Flow Photochemistry
Authors: Rehm Thomas H. 
Published: April 2020

AbstractThe front cover artwork is provided by the Flow (Photo) Chemistry Group at Fraunhofer IMM. For this cover image we were inspired by the Borg, a technology‐driven species from the TV series “Star Trek”. The image shows our falling‐film microreactor as a Borg cube in space that assimilates glassware from a batch process. It illustrates the transfer from batch to continuous flow mode. Read the full text of the Review at 10.1002/cptc.201900247.