bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding the Doping Effect on NiO: Toward High‐Performance Inverted Perovskite Solar Cells
Authors: Chen Wei , Wu Yinghui , Fan Jing , Djurišić Aleksandra B. , Liu Fangzhou , Tam Ho Won , Ng Annie , Surya Charles , Chan Wai Kin , Wang Dong , He Zhu‐Bing 
Published: March 2018

AbstractHigh‐quality hole transport layers are prepared by spin‐coating copper doped nickel oxide (Cu:NiO) nanoparticle inks at room temperature without further processing. In agreement with theoretical calculations predicting that Cu doping results in acceptor energy levels closer to the valence band maximum compared to gap states of nickel vacancies in undoped NiO, an increase in the conductivity in Cu:NiO films compared to NiO is observed. Cu in Cu:NiO can be found in both Cu+ and Cu2+ states, and the substitution of Ni2+ with Cu+ contributes to both increased carrier concentration and carrier mobility. In addition, the films exhibit increased work function, which together with the conductivity increase, enables improved charge transfer and extraction. Furthermore, recombination losses due to lower monomolecular Shockley‐Read‐Hall recombination are reduced. These factors result in an improvement of all photovoltaic performance parameters and consequently an increased efficiency of the inverted planar perovskite solar cells. A power conversion efficiency (PCE) exceeding 20% could be achieved for small‐area devices, while PCE values of 17.41 and 18.07% are obtained for flexible devices and large area (1 cm2) devices on rigid substrates, respectively.
The psychological distress and care needs of mesothelioma patients and asbestos‐exposed subjects: A systematic review of published studies
Authors: Bonafede Michela , Ghelli Monica , Corfiati Marisa , Rosa Valentina , Guglielmucci Fanny , Granieri Antonella , Branchi Claudia , Iavicoli Sergio , Marinaccio Alessandro 
Published: March 2018

BackgroundThe purpose of this study is to present the results of a systematic review of published research that focuses on psychological aspects of malignant mesothelioma patients and asbestos‐exposed people.MethodsOur research includes primary studies published between 1980 and 2016, using information from the Cochrane Library, the Psychology Behavioral Sciences Collection, PsychINFO, PubMed, PubGet, PubPsych, and Scopus, in compliance with PRISMA guidelines.ResultsWe identified 12 papers that investigated the psychological distress and care needs of mesothelioma patients, and nine papers for asbestos‐exposed subjects.ConclusionsThis paper highlights the paucity of studies on the psychological distress and care needs of mesothelioma patients and asbestos‐exposed subjects. It confirms that malignant mesothelioma is associated with the physical, emotional, and social functioning of patients, while also suggesting that the risk of developing asbestos‐related diseases among asbestos‐exposed subjects is associated with high levels of psychological distress, despair, and mental health difficulties.
Concerted Bimetallic Nanocluster Synthesis and Encapsulation via Induced Zeolite Framework Demetallation for Shape and Substrate Selective Heterogeneous Catalysis
Authors: Iida Takayuki , Zanchet Daniela , Ohara Koji , Wakihara Toru , Román‐Leshkov Yuriy 
Published: March 2018

AbstractBimetallic nanoparticle encapsulation in microporous zeolite crystals is a promising route for producing catalysts with unprecedented reaction selectivities. Herein, a novel synthetic approach was developed to produce PtZnx nanoclusters encapsulated inside zeolite micropores by introducing Pt2+ cations into a zincosilicate framework via ion exchange, and subsequent controlled demetallation and alloying with framework Zn. The resulting zeolites featured nanoclusters with sizes of approximately 1 nm, having an interatomic structure corresponding to a PtZnx alloy as confirmed by pair distribution function (PDF) analysis. These materials featured simultaneous shape and substrate specificity demonstrated by the selective production of p‐chloroaniline from the competitive hydrogenation of p‐chloronitrobenzene and 1,3‐dimethyl‐5‐nitrobenzene.
Hydrido‐Komplexe des Calciums: eine neue Familie molekularer Erdalkalimetall‐Verbindungen
Authors: Mukherjee Debabrata , Schuhknecht Danny , Okuda Jun 
Published: March 2018

AbstractDie Anwendung von festem CaH2 beschränkt sich fast ausschließlich auf die Nutzung als Trockenmittel, obwohl eine katalytische Aktivität lange bekannt ist. Nach der Isolierung der ersten definierten molekularen Calciumhydrid‐Verbindung im Jahr 2006 ist die Zahl an Mitgliedern dieser neuen Verbindungsklasse im folgenden Jahrzehnt stetig gestiegen. Zwar erschwert das Schlenk‐Gleichgewicht die Isolierung dieser Verbindungen, jedoch hat die Neuartigkeit der Reaktivität, besonders bei der Aktivierung kleiner Moleküle, immer mehr Interesse geweckt. In diesem Kurzaufsatz wird umfassend über die Synthese, Struktur und Reaktivität der bis dato bekannten molekularen Calciumhydride berichtet.
Safe and Facile Access to Nonstabilized Diazoalkanes Using Continuous Flow Technology
Authors: Rullière Pauline , Benoit Guillaume , Allouche Emmanuelle M. D. , Charette André B. 
Published: March 2018

AbstractDespite the high synthetic potential of nonstabilized diazo compounds, their utilization has always been hampered by stability, toxicity, and safety issues. The present method opens up access to the most reactive nonstabilized diazoalkanes. Among diazo compounds, nonstabilized alkyl diazo compounds are the least represented because of their propensity to degrade during preparation. The continuous flow oxidation process of hydrazones on a silver oxide column afforded an output stream of base‐ and metal‐free pure diazo solution in dichloromethane. Starting from innocuous ketones and aldehydes, this methodology allows the production of a broad range of unprecedented diazoalkanes compounds in excellent yields, while highlighting their synthetic potential and the possibility of safe large‐scale diazo production.
Synthesis of Reversed C‐Acyl Glycosides through Ni/Photoredox Dual Catalysis
Authors: Badir Shorouk O. , Dumoulin Audrey , Matsui Jennifer K. , Molander Gary A. 
Published: March 2018

AbstractThe incorporation of C‐glycosides in drug design has become a routine practice for medicinal chemists. These naturally occurring building blocks exhibit attractive pharmaceutical profiles, and have become an important target of synthetic efforts in recent decades. Described herein is a practical, scalable, and versatile route for the synthesis of non‐anomeric and unexploited C‐acyl glycosides through a Ni/photoredox dual catalytic system. By utilizing an organic photocatalyst, a range of glycosyl‐based radicals are generated and efficiently coupled with highly functionalized carboxylic acids at room temperature. Distinctive features of this transformation include its mild conditions, impressive compatibility with a wide array of functional groups, and most significantly, preservation of the anomeric carbon: a handle for further, late‐stage derivatization.
Au57Ag53(C≡CPh)40Br12: A Large Nanocluster with C1 Symmetry
Authors: Guan Zong‐Jie , Zeng Jiu‐Lian , Yuan Shang‐Fu , Hu Feng , Lin Yu‐Mei , Wang Quan‐Ming 
Published: March 2018

AbstractThe controlled synthesis and structure determination of a bimetallic nanocluster Au57Ag53(C≡CPh)40Br12 (Au57Ag53) is presented. The metal core has a four‐shell Au2M3@Au34@Ag51 @Au20 (M=1/3 Au+2/3 Ag) architecture. In contrast to the previously reported large nanoclusters that have highly symmetric kernel structures, the metal atoms in Au57Ag53 are arranged in an irregular manner with C1 symmetry. This cluster exhibits excellent thermal stability and is robust under oxidative or basic conditions. The silver precursors play a key role in dictating the structures of the nanoclusters, which suggests the importance of the counteranions used.
Nickel Fluorocarbene Metathesis with Fluoroalkenes
Authors: Harrison Daniel J. , Daniels Alex L. , Guan Jia , Gabidullin Bulat M. , Hall Michael B. , Baker R. Tom 
Published: March 2018

AbstractAlkene metathesis with directly fluorinated alkenes is challenging, limiting its application in the burgeoning field of fluoro‐organic chemistry. A new nickel tris(phosphite) fluoro(trifluoromethyl)carbene complex ([P3Ni]=CFCF3) reacts with CF2=CF2 (TFE) or CF2=CH2 (VDF) to yield both metallacyclobutane and perfluorocarbene metathesis products, [P3Ni]=CF2 and CR2=CFCF3 (R=F, H). The reaction of [P3Ni]=CFCF3 with trifluoroethylene also yields metathesis products, [P3Ni]=CF2 and cis/trans‐CFCF3=CFH. However, unlike reactions with TFE and VDF, this reaction forms metallacyclopropanes and fluoronickel alkenyl species, resulting presumably from instability of the expected metallacyclobutanes. DFT calculations and experimental evidence established that the observed metallacyclobutanes are not intermediates in the formation of the observed metathesis products, thus highlighting a novel variant of the Chauvin mechanism enabled by the disparate four‐coordinate transition states.
Polycarboxylate‐Templated Coordination Polymers: Role of Templates for Superprotonic Conductivities of up to 10−1 S cm−1
Authors: Elahi Syed Meheboob , Chand Santanu , Deng Wei‐Hua , Pal Arun , Das Madhab C. 
Published: March 2018

AbstractThree coordination polymers (CPs) have been synthesized based on a [Co(bpy)(H2O)4]2+ chain (bpy=4,4′‐bipyridine) by a template approach. The frameworks are neutralized by different templated polycarboxylate anions (furan di‐carboxylate (fdc) in Co‐fdc, benzene tri‐carboxylate (btc) in Co‐tri and benzene tetra‐carboxylate (btec) in Co‐tetra). These templates with different degrees of protonation and ionic carrier concentration played significant role on crystal packing as well as formation of well‐directed H‐bonded networks which made these CPs perform well in proton conduction (PC). The PC value reaches to 1.49×10−1 S cm−1 under 80 °C and 98 % relative humidity (R.H.) for Co‐tri, which is the highest among CPs/MOFs/COFs and is an example of conductivity in the order of 10−1 S cm−1. Co‐tri and Co‐tetra are excellent proton conductors at mild temperature (40 °C) and 98 % R.H. (conductivities up to 2.92×10−2 and 1.38×10−2 S cm−1, respectively).
BiOBr‐Ag8SnS6 heterostructured nanocomposite photocatalysts: Synthesis, characterization, and photocatalytic application
Authors: Chowdhury Arpita Paul , Shambharkar Baban H. 
Published: March 2018

AbstractBiOBr‐Ag8SnS6 heterostructured nanocomposite photocatalysts have been synthesized by chemical coprecipitation method in the presence of ethylene glycol solvent at a temperature of 100 °C for 4 hr. The synthesized BiOBr‐Ag8SnS6 heterostructured composites were characterized by X‐ray diffraction, transmission electron microscopy, ultraviolet–visible near‐infrared spectroscopy, photoluminescence spectroscopy, and Brunauer–Emmett–Teller surface area measurement. X‐ray diffraction pattern of BiOBr‐Ag8SnS6 heterostructures showed the peaks corresponding to tetragonal structure of BiOBr and orthorhombic structure of Ag8SnS6 nanoparticles, which indicated that they exist in biphasic form in the composite. Photoluminescence studies showed that the BiOBr‐Ag8SnS6‐1 composite possesses the lowest recombination rate of e−–h+ pairs. Brunauer–Emmett–Teller surface area of BiOBr, Ag8SnS6 nanoparticles, BiOBr‐Ag8SnS6‐1, and BiOBr‐Ag8SnS6‐2 was found to be 0.05, 2.35, 1.88, and 1.0 m2/g, respectively. BiOBr‐Ag8SnS6 heterostructured nanocomposite photocatalysts exhibited robust photodegradation towards degradation of indigo carmine dye than that of single‐phase BiOBr and Ag8SnS6 nanoparticles under sunlight irradiation. The enhanced photoactivity could be ascribed to heterostructure effect between BiOBr and Ag8SnS6 nanoparticles, an improved visible light absorption and the separation and easy transfer of photogenerated electrons and holes, across the interface of BiOBr‐Ag8SnS6. The radical scavenger experiments showed that photogenerated holes and superoxide radicals were the main active species involved in the photodegradation process of indigo carmine.
Gloss reduction and morphological properties of polycarbonate and poly(methyl methacrylate‐acrylonitrile‐butadiene‐styrene) blends with SAN‐co‐GMA as a reactive compatibilizer
Authors: Kim In Chol , Kwon Kee Hae , Kim Woo Nyon 
Published: March 2018

ABSTRACTThe gloss properties of the polycarbonate (PC)/poly(methyl methacrylate‐acrylonitrile‐butadiene‐styrene) (MABS) blend with styrene‐acrylonitrile‐co‐glycidyl methacrylate (SAN‐co‐GMA) as a compatibilizing agent were investigated. For the PC/poly(MABS)/SAN‐co‐GMA (65/15/20, wt %) blend surface, the reduction of gloss level was observed most significantly when the GMA content was 0.1 wt %, compared with the blends with 0.05 wt % GMA or without GMA content. The gloss level of the PC/poly(MABS)/SAN‐co‐GMA (0.1 wt % GMA) blend surface was observed to be 35, which showed 65% lower than the PC/poly(MABS)/SAN‐co‐GMA blend without GMA content. The gloss reduction was most probably caused by the insoluble fractions of the PC/poly(MABS)/SAN‐co‐GMA blend that were formed by the reaction between the carboxylic acid group in poly(MABS) and epoxy group in SAN‐co‐GMA. The results of optical and transmission electron microscope analysis, spectroscopy study, and rheological properties supported the formation of insoluble structure of the PC/poly(MABS)/SAN‐co‐GMA blend when the GMA content was 0.1 wt %. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46450.
Green esterification: A new approach to improve thermal and mechanical properties of poly(lactic acid) composites reinforced by cellulose nanocrystals
Authors: Shojaeiarani Jamileh , Bajwa Dilpreet S. , Stark Nicole M. 
Published: March 2018

ABSTRACTCellulose nanocrystal (CNCs)‐reinforced poly(lactic acid) (PLA) nanocomposites were prepared using twin screw extrusion followed by injection molding. Masterbatch approach was used to achieve more efficient dispersion of CNCs in PLA matrix. Modified CNCs (b‐CNCs) were prepared using benzoic acid as a nontoxic material through a green esterification method in a solvent‐free technique. Transmission electron microscopy images did not exhibit significant differences in the structure of b‐CNCs as compared with unmodified CNCs. However, a reduction of 6.6–15.5% in the aspect ratio of b‐CNCs was observed. The fracture surface of PLA‐b‐CNCs nanocomposites exhibited rough and irregular pattern which confirmed the need of more energy for fracture. Pristine CNCs showed a decrease in the thermal stability of nanocomposites, however, b‐CNCs nanocomposites exhibited higher thermal stability than pure PLA. The average storage modulus was improved by 38 and 48% by addition of CNCs and b‐CNCs in PLA, respectively. The incorporation of b‐CNCs increased Young's modulus, ultimate tensile stress, elongation at break, and impact strength by 27.02, 10.90, 4.20, and 32.77%, respectively, however, CNCs nanocomposites exhibited a slight decrease in ultimate strength and elongation at break. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46468.
Morphological and Biochemical Features of Cerebellar Cortex After Exposure to Zinc Oxide Nanoparticles: Possible Protective Role of Curcumin
Authors: Amer Mona G. , Karam Rehab A. 
Published: March 2018

ABSTRACTZinc oxide nanoparticles (ZnONPs) are widely used in the last decades. Therefore, investigation of its neurotoxic effect is important. This work aimed to investigate the potential adverse effects of ZnONPs on rat's cerebellar cortex and the possible neuroprotective role of curcumin (Cur). Forty male albino rats were randomly divided into four equal groups. Two groups were injected with ZnONPs and one group was previously received Cur before ZnONPs. At the end of the experiment, cerebellar tissue samples were prepared for histological, morphometric, immunohistochemical study, and tissue levels of oxidative stress markers and cytokine analysis. cerebellar damage is clearly visible with ZnONPs. Degeneration, loss, disorganization of cerebellar neurons was observed. Histopathological degeneration of Purkinje and granular cells together with loss of Nissl substance, astrocyte gliosis, and affection of cerebellar blood brain barrier were detected. Moreover, an apoptotic marker (caspase‐3) was significantly expressed in Purkinje and granular layers together with elevated gene expression of P53 and COX‐2 in cerebellar tissue of ZnONPs intoxicated group. Astrocyte gliosis and inflammatory markers IL‐1, IL‐6, and TNF‐α were expressed significantly in ZnONPs intoxicated cerebellum. These changes were associated with evidence of cerebellar oxidative stress. Strikingly, treatment with Cur together with ZnONPs recorded morphological improvement, with increased number of Purkinje cells and decreased caspase +ve cells. These findings were confirmed by morphometric and statistical analysis. Cur ameliorates the deterious effect of ZnONPs on the cerebellar cortex through its antioxidant, antiapoptotic, and anti‐inflammatory efficacies. Anat Rec, 2018. © 2018 Wiley Periodicals, Inc.
Clarification of the Innervation of the Bladder, External Urethral Sphincter and Clitoris: A Neuronal Tracing Study in Female Mongrel Hound Dogs
Authors: Barbe Mary F. , Gomez‐Amaya Sandra M. , Salvadeo Danielle M. , Lamarre Neil S. , Tiwari Ekta , Cook Shalonda , Glair Connor P , Jang Daniel H. , Ragheb Rachel M. , Sheth Akaash , Braverman Alan S. , Ruggieri Michael R. 
Published: March 2018

ABSTRACTMany studies examining the innervation of genitourinary structures focus on either afferent or efferent inputs, or on only one structure of the system. We aimed to clarify innervation of the bladder, external urethral sphincter (EUS) and clitoris. Retrograde dyes were injected into each end organ in female dogs. Spinal cord, mid‐bladder, and spinal, caudal mesenteric, sympathetic trunk and pelvic plexus ganglia were examined for retrograde dye‐labeled neurons. Neurons retrogradely labeled from the bladder were found primarily in L7‐S2 spinal ganglia, spinal cord lateral zona intermedia at S1‐S3 levels, caudal mesenteric ganglia, T11‐L2 and L6‐S2 sympathetic trunk ganglia, and pelvic plexus ganglia. The mid‐bladder wall contained many intramural ganglia neurons labeled anterogradely from the pelvic nerve, and intramural ganglia retrogradely labeled from dye labeling sites surrounding ureteral orifices. Neurons retrogradely labeled from the clitoris were found only in L7 and S1 spinal ganglia, L7‐S3 spinal cord lateral zona intermedia, and S1 sympathetic trunk ganglia, and caudal mesenteric ganglia. Neurons retrogradely labeled from the EUS were found in primarily at S1 and S2 spinal ganglia, spinal cord lamina IX at S1‐S3, caudal mesenteric ganglia, and S1‐S2 sympathetic trunk ganglia. Thus, direct inputs from the spinal cord to each end organ were identified, as well as multisynaptic circuits involving several ganglia, including intramural ganglia in the bladder wall. Knowledge of this complex circuitry of afferent and efferent inputs to genitourinary structures is necessary to understand and treat genitourinary dysfunction. Anat Rec, 2018. © 2018 Wiley Periodicals, Inc.
The Impact of Ultrasound on the Use and Efficacy of Intraarticular Glucocorticoid Injections in Early Rheumatoid Arthritis
Authors: Nordberg Lena B. , Lillegraven Siri , Aga Anna‐Birgitte , Sexton Joe , Lie Elisabeth , Hammer Hilde B. , Olsen Inge C. , Uhlig Till , van der Heijde Désirée , Kvien Tore K. , Haavardsholm Espen A. 
Published: March 2018

ObjectiveIntraarticular glucocorticoid injections are common in rheumatoid arthritis (RA) treatment. This study was undertaken to investigate whether ultrasound in combination with clinical examination is better than clinical examination alone at identifying joints that will benefit from intraarticular injections, and to compare the efficacy of ultrasound‐guided versus palpation‐guided procedures.MethodsIn the treat‐to‐target Aiming for Remission in Rheumatoid Arthritis: a Randomised Trial Examining the Benefit of Ultrasonography in a Clinical Tight Control Regimen (ARCTIC), patients with early RA were randomized 1:1 to follow‐up with or without ultrasound. In addition to disease‐modifying antirheumatic drugs, intraarticular glucocorticoids were used to treat inflamed joints. The distribution of injections was assessed in both study groups. The relationship of clinical and ultrasound findings at the time of injection with treatment efficacy was examined, with non‐swollen joint at the next visit as the outcome measure. Treatment success was compared across study groups to evaluate ultrasound‐guided versus palpation‐guided procedures.ResultsMore injections were administered in the ultrasound group than in the conventional strategy group (n = 770 versus 548), especially in intercarpal joints (n = 58 versus 5) and metatarsophalangeal joints (n = 200 versus 104). Injecting clinically swollen joints without power Doppler (PD) activity on ultrasound was not efficacious compared to not injecting (odds ratio [OR] 1.3; P = 0.59). Efficacy was best in swollen joints (OR 9.0; P = 0.001) and non‐swollen joints (OR 8.4; P = 0.016) with moderate PD activity. Treatment success was similar for the ultrasound‐guided and palpation‐guided procedures.ConclusionOur findings indicate that the efficacy of intraarticular glucocorticoid injections varies according to ultrasound findings at the time of injection, supporting the use of ultrasound as a tool to select joints that will benefit from intraarticular injections. However, ultrasound needle guidance was not superior to palpation guidance.
Directing‐Group‐mediated C−H‐Alkynylations
Authors: Caspers Lucien D. , Nachtsheim Boris J. 
Published: March 2018

AbstractC−C triple bonds are amongst the most versatile functional groups in synthetic chemistry. Complementary to the Sonogashira coupling the direct metal‐catalyzed alkynylation of C−H bonds has emerged as a highly promising approach in recent years. To guarantee a high regioselectivity suitable directing groups (DGs) are necessary to guide the transition metal (TM) into the right place. In this Focus Review we present the current developments in DG‐mediated C(sp2)−H and C(sp3)−H modifications with terminal alkynes under oxidative conditions and with electrophilic alkynylation reagents. We will discuss further modifications of the alkyne, in particular subsequent cyclizations to carbo‐ and heterocycles and modifications of the DG in the presence of the alkyne.
Structure and Bonding in CE5− (E=Al–Tl) Clusters: Planar Tetracoordinate Carbon versus Pentacoordinate Carbon
Authors: Ravell Estefanía , Jalife Said , Barroso Jorge , Orozco‐Ic Mesías , Hernández‐Juárez Gerardo , Ortiz‐Chi Filiberto , Pan Sudip , Cabellos José Luis , Merino Gabriel 
Published: March 2018

AbstractThe structure, bonding, and stability of clusters with the empirical formula CE5− (E=Al–Tl) have been analyzed by means of high‐level computations. The results indicate that, whereas aluminum and gallium clusters have C2v structures with a planar tetracoordinate carbon (ptC), their heavier homologues prefer three‐dimensional C4v forms with a pentacoordinate carbon center over the ptC one. The reason for such a preference is a delicate balance between the interaction energy of the fifth E atom with CE4 and the distortion energy. Moreover, bonding analysis shows that the ptC systems can be better described as CE4−, with 17‐valence electrons interacting with E. The ptC core in these systems exhibits double aromatic (both σ and π) behavior, but the σ contribution is dominating.