bluuebunny/crossref_metadata_2025_split huggingface dataset:
Outdoor Performance and Stability under Elevated Temperatures and Long‐Term Light Soaking of Triple‐Layer Mesoporous Perovskite Photovoltaics
Authors: Li Xiong , Tschumi Manuel , Han Hongwei , Babkair Saeed Salem , Alzubaydi Raysah Ali , Ansari Azhar Ahmad , Habib Sami S. , Nazeeruddin Mohammad Khaja , Zakeeruddin Shaik M. , Grätzel Michael 
Published: May 2015

AbstractLack of proven stability has become a major obstacle on the path of metal halide perovskite solar cells (PSCs), in particular methylammonium lead triiodide (MAPbI3), towards commercial viability. This correlates with the intrinsic affinity of MAPbI3 towards moisture and ambient air in particular, leading to its degradation in ambient conditions. We performed extensive stability tests to prove the durability of hole‐conductor‐free PSCs based on a triple‐layer architecture employing carbon as a back contact, including outdoor tests in the hot desert climate and indoor long‐term light soaking as well as heat exposure during 3 months at 80–85 °C. These results show no evidence for device degradation under the test conditions, confirming that the triple‐layer device architecture provides a promising path towards realizing efficient and stable perovskite photovoltaics.
Tissue concentrations as the dose metric to assess potential toxic effects of metals in field-collected fish: Copper and cadmium
Authors: Meador James P. 
Published: May 2015

Abstract

The present study examined the available literature linking whole-body tissue concentrations with toxic effects in fish species for copper and cadmium. The variability in effect concentration for both copper and cadmium among species occurred within an order of magnitude for all responses, whereas the range for lethal toxicity based on water exposure spanned approximately 4 to 5 orders of magnitude. Fish tissue concentrations causing adverse effects were just above background concentrations, occurring between 1 μg/g and 10 μg/g for copper and 0.1 μg/g to 4 μg/g for cadmium. The results also show that salmonids are especially sensitive to cadmium, which appears to be a function of chemical potency. No studies were found that indicated adverse effects without increases in whole-body concentration of these metals. This narrow range for dose-response implies that a toxicological spillover point occurs when the detoxification capacity of various tissues within the animal are exceeded, and this likely occurs at a similar whole-body concentration for all naïvely exposed fish species. Elevated whole-body concentrations in fish from the field may be indicative of possible acclimation to metals that may or may not result in effects for target species. Acclimation concentrations may be useful in that they signal excessive metal concentrations in water, sediment, or prey species for a given site and indicate likely toxic effects for species unable to acclimate to excess metal exposure. Using tissue residues as the dose metric for these metals provides another line of evidence for assessing impaired ecosystems and greater confidence that hazard concentrations are protective for all fish species. Environ Toxicol Chem 2015;34:1309–1319. Published 2015 SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.
How do Hospitals Respond to Price Changes? Evidence from Norway
Authors: Januleviciute Jurgita , Askildsen Jan Erik , Kaarboe Oddvar , Siciliani Luigi , Sutton Matt 
Published: May 2015

AbstractMany publicly funded health systems use activity‐based financing to increase hospital production and efficiency. The aim of this study is to investigate whether price changes for different treatments affect the number of patients treated and the mix of activity provided by hospitals. We exploit the variations in prices created by the changes in the national average treatment cost per diagnosis‐related group (DRG) offered to Norwegian hospitals over a period of 5 years (2003–2007). We use the data from Norwegian Patient Register, containing individual‐level information on age, gender, type of treatment, diagnosis, number of co‐morbidities and the national average treatment costs per DRG. We employ fixed‐effect models to examine the changes in the number of patients treated within the DRGs over time. The results suggest that a 10% increase in price leads to about 0.8–1.3% increase in the number of patients treated for DRGs, which are medical (for both emergency and elective patients). In contrast, we find no price effect for DRGs that are surgical (for both emergency and elective patients). Moreover, we find evidence of upcoding. A 10% increase in the ratio of prices between patients with and without complications increases the proportion of patients coded with complications by 0.3–0.4 percentage points. Copyright © 2015 John Wiley & Sons, Ltd.
In silico Support for Eschenmoser’s Glyoxylate Scenario
Authors: Andersen Jakob L. , Flamm Christoph , Merkle Daniel , Stadler Peter F. 
Published: May 2015

AbstractA core topic of research in prebiotic chemistry is the search for plausible synthetic routes that connect the building blocks of modern life, such as sugars, nucleotides, amino acids, and lipids to “molecular food sources” that were likely to have been abundant on early Earth. In a recent contribution, Albert Eschenmoser emphasised the importance of catalytic and autocatalytic cycles in establishing such abiotic synthesis pathways. The accumulation of intermediate products furthermore provides additional catalysts that allow pathways to change over time. We show here that generative models of chemical spaces based on graph grammars make it possible to study such phenomena in a systematic manner. In addition to reproducing the key steps of Eschenmoser’s hypothesis paper, we discovered previously unexplored potentially autocatalytic pathways from HCN to glyoxylate. A cascade of autocatalytic cycles could efficiently re‐route matter, distributed over the combinatorial complex network of HCN hydrolysation chemistry, towards a potential primordial metabolism. The generative approach also has it intrinsic limitations: the unsupervised expansion of the chemical space remains infeasible due to the exponential growth of possible molecules and reactions between them. Here, in particular, the combinatorial complexity of the HCN polymerisation and hydrolysation networks forms the computational bottleneck. As a consequence, guidance of the computational exploration by chemical experience is indispensable.
WIDENING THE CIRCLE OF SECURITY: A QUASI‐EXPERIMENTAL EVALUATION OF ATTACHMENT‐BASED PROFESSIONAL DEVELOPMENT FOR FAMILY CHILD CARE PROVIDERS
Authors: Gray Sarah A. O. 
Published: May 2015

ABSTRACTThis pilot program evaluation was undertaken to examine the effectiveness of an attachment‐based, group professional‐development experience, Circle of Security‐Parenting, on family childcare (FCC) providers' psychological resources and self‐efficacy in managing children's challenging behaviors and supporting children's socioemotional development. Licensed FCC providers with children actively in their care (n = 34) self‐selected into the program, offered in English and Spanish through a regional support network for FCC providers; a comparison group of providers was recruited from the state database of licensed providers (n = 17). A significant Time × Group interaction was observed for self‐efficacy in managing challenging behaviors, F(1, 46) = 30.59, p = .000, partial η2 = .40, with participating providers' mean self‐efficacy scores increasing, p = .000, d = .78, while comparison providers’ decreased, p = .003, d = 1.40. Mean depressive symptoms decreased over time for both groups whereas job stress‐related resources were stable over time in both groups. Patterns of association were found between providers’ self‐report of difficulties considering children's mental states and depressive symptoms, job stress resources, and self‐efficacy. Limitations and implications for future research are reviewed, including the impact of conducting this work within an organized support network for FCC providers.
In vivo bone formation by human alveolar‐bone‐derived mesenchymal stem cells obtained during implant osteotomy using biphasic calcium phosphate ceramics or Bio‐Oss as carriers
Authors: Park Jung‐Chul , Oh Sang‐Yeob , Lee Jung‐Seok , Park So‐Yon , Choi Eun‐Young , Cho Kyoo‐Sung , Kim Chang‐Sung 
Published: May 2015

AbstractObjectivesThe aim of this study was to evaluate HA coated with different ratios of TCP as a carrier for hABMSCs obtained during implant osteotomy in comparison to slowly‐resorbing biomaterial, Bio‐Oss, as a negative control, using in vitro and in vivo experiments.Materials and MethodsHuman ABMSCs (hABMSCs) harvested during implant osteotomy were transplanted using HA/TCP or Bio‐Oss as carriers in a murine ectopic transplantation model (n = 12). Pore size and cell affinity were evaluated in vitro. The area of newly formed bone was analyzed histometrically, the number of osteocytes was counted, and immunohistochemical staining was conducted against several markers of osteogenesis, including alkaline phosphatase (ALP), runt‐related transcription factor 2 (RUNX‐2), osteocalcin (OCN), and osteopontin (OPN). Osteoclast formation was evaluated by tartrate‐resistant acid phosphatase staining.ResultsThe carrier materials had comparable pore sizes. The cell affinity assay resulted in a high proportion of cell adhesion (>90%) in all experimental groups. Substantial new bone and osteocyte formation was observed on both HA/TCP carriers, whereas it was minimal with Bio‐Oss. Positive immunostaining for ALP, RUNX‐2, OCN, and OPN was observed with HA/TCP, but only limited expression of osteogenic markers with Bio‐Oss. Conversely, there was a minimal osteoclast presence with Bio‐Oss, but a significant presence of osteoclasts with both HA/TCP carriers.ConclusionsBoth types of scaffolds, BCP and Bio‐Oss, showed high stem cell‐carrying potential, but the in vivo healing patterns of their complexes with hABMSC could be affected by the microenvironment on the surfaces of the scaffolds. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 515–524, 2016.
Determination of Total Selenium in Human Urine and Serum by Graphite‐Furnace Atomic‐Absorption Spectrophotometry with Palladium‐Nickel‐Ammonium Nitrates as a Matrix Modifier
Authors: Kao Chih‐Ming , Cherng Yunn‐Jing , Wung Ming‐Hong , Tsao Pi‐Yuan , Kuo Mao‐Sung 
Published: May 2015

AbstractAfter human urine or serum was diluted (1 + 9) with HNO3 (0.2%, v/v) and standard additions of Se solution (100 μ L−1), the diluted sample (10 μL) was introduced into the graphite cuvette. The matrix modifier [10μL, containing Pd (0.6 μg) + Ni (25 μg) + NH4NO3 (80 μg) in HNO3 (0.2%, v/v) for urine, or Pd (0.3 μg) + Ni (30 μg) + NH4NO3 (80 μg) + Triton X‐100 (0.04%) in HNO3 (0.2%, v/v) for serum, respectively] was added and the mixture was heated according to a temperature program. The matrix modifier containing NH4NO3 in a suitable amount and a small amount of Pd enhanced the sensitivity for Se. The method detection limits (3σ) after dilution were about 4.9 ± 0.8 and 2.36 ± 0.18 μg L−1 for urine and serum, respectively. The accuracy of this method was tested with SRM #2670 human urine Se and Seronorm Trace Elements #116 human serum Se, respectively, and the results of 97.6 – 101% and 100 – 104% were obtained with precision ± 0.3% and ± 2%, respectively. This method can be applied easily and accurately to the determination of concentration of total Se in human urine and serum.
Tricarbonyl(N,N‐Disubstituted‐Cyclohexadienecarboxamide)iron Complexes: Investigation of the Possible Intramolecular Interaction between the Iron Center and the Amide Substituent
Authors: Pcrng Ming‐Tzong , Yu Wei‐Ren , Hwang Wen‐Shu 
Published: May 2015

AbstractDirect reaction of iron pentacarbonyl with 1‐N,N‐disubstituted‐cyclohexa‐2,5‐dicnecarboxamide and 1‐N,N‐disubstituted‐cyclohexa‐1,3‐dienecarboxamide mixture (in which the disubstkuted group is diethyl or diphenyl) gave the isomeric tricarbonyl iron complexes of 2‐N,N‐disubstituted‐1,4‐η‐cyclohexa‐1,3‐dienccarboxamide (1), 1‐N,N‐disubslituted‐1,4‐η‐cyclohexa‐1,3‐dienecarboxamide (2), and 5‐N,N‐disubstituted‐1,4‐η‐cyclohexa‐1,3‐dienecarboxamide (3) and tricarbonyliron complexes of l‐N,N‐disubstituted‐cyclohexenecarboxamide (4). These complexes were separated and characterized by IR, UV‐VIS, 1H NMR, elemental analysis, and mass spectra. Only 1 isomerized to give 2 under acidic conditions; both 1 and 2 undergo hydride abstraction with triphenylmethyl hexafluorophosphatc. Complexes 3, undergo neither isomcrization nor hydride abstraction. According to the spectral data, the possible interaction between carboxamide and iron carbonyl moiety was investigated. The irreversible electrochemical behavior of these complexes were studied.
Synthetic Applications of Carbonyl Ylides Generated via the Tandem Cyclization Cycloaddition Reaction of Rhodium Carbenoids
Authors: Padwa Albert 
Published: May 2015

AbstractThe author's chemical studies dealing with the generation of carbonyl ylides via the rhodium(II) induced cyclization of α‐diazo alkanediones are summarized, Dipole formation occurs by reaction of a transient rhodium carbenoid intermediate with a neighboring carbonyl group. These cyclizations are performed under extremely mild conditions, typically at room temperature in a neutral organic solvent. Since these cycloadditions involve carbonyl ylides, the resulting products are oxabicycles of varying ring size. When the dipolarophile is intramolecularly tethered to the dipole, the subsequent cycloaddition affords complex oxapolycyclic systems with three (or more) component rings.
Synthesis and Photoproperties of Silicon Phthalocyanines and Silicon Naphthalocyanines
Authors: Wen Tsai‐Chuan , Liu Min‐Eng , Young Su‐Hay , Lee Ya‐Su , Chen Kuo‐Mei , Kuo Chen‐Nan 
Published: May 2015

AbstractSilicon phthalocyanines and silicon naphthalocyanines, which are two derivatives in the family of hematoporphyrin, have been synthesized to assess their potential as photosensitizers for photodynamic therapy. For these complexes the red shift of their Q‐band maximum absorption tends to depend on the nature of the axial substituent. The bimolecular rate coefficients for the interacting between photosensitizer, either SiNC or SiPC, and generated singlet molecular oxygen were determined from the time‐resolved emission spectrum of singlet oxygen at 1.27 μm. On the basis of these data the electron‐transfer quenching mechanism is discussed in relation to the Marcus model.
Solvent‐Mediated Iodine Intercalation of a High‐Tc Oxide Superconductor Bi2Sn1.8Ca1.2CU2Ox
Authors: Guo T. N. , Chen Teng‐Ming 
Published: May 2015

AbstractThe benzene‐mediated iodine intercalation into the pseudo‐layered superconductor Bi2Sr1.8Ca1.2Cu2Ox (2212) is an efficient way to prepare an intercalate with nominal composition IBi2Sr1.8Ca1.2Cu2Ox. Expansion by 22 percent along the crystallographic c‐axis was observed but both a‐and b‐axes of the intercalates remained unchanged. The superconducting temperature (Tc) of 2212 phase decreased 10 K upon iodine intercalation. We report the First solvent‐mediated intercalation reaction and preliminary characterizations of a presumably stage‐1 phase IBi2Sr1.8Ca1.2Cu2Ox.
Enantioselective Synthesis of β‐Lactam Carried C(3) Functionality via Ester Enolate‐Imine Condensation
Authors: Lee Chih‐Shone , Chen Hsiu‐Ho 
Published: May 2015

AbstractEnantioselective synthesis of optically active β‐lactam via ester enolate‐imine condensation using homochiral ester 16 and imine 17 provided β‐lactam 18a in 77% cc. Lactam 18a, carried C(3) functionality on β‐lactam nuclei, provided a potential precursor toward a synthesis of dipeptide antibiotic.
Heterocyclic Synthesis with Enamines: Convenient Syntheses of Polyfunctionally Substituted Pyrazole, Pyridine, Pyrimidine and Pyrazolo[3,4‐d]pyrimrdine Derivatives
Authors: Mohareb Rafat Milad , Sherif Sherif Mourad , Zohdi Hussein Fouad 
Published: May 2015

AbstractFacile syntheses of pyrazole, pyridine, pyrimidine and pyrazolo[3,4‐d]pyrimidine derivatives have been achieved by the reaction of β‐enamino nitrile 2a with hydrazines, phenyl isothiocyanate, thiourea and active methylene reagents. The β‐enamino ketone 2e with the same reagents affords 3,5‐dimethyl heterocyclic ring systems.
Preconcentration of Metal Ions with Anion‐Exchange Resin
Authors: Jen Jen‐Fon , Fu Jen‐Tong 
Published: May 2015

AbstractA method to preconcentrate metal ions employed an anion‐exchange resin was studied. Metal ions were first chelated with ethylenediaminetetraacetic acid (EDTA), then trapped on an enrichment column packed with anion‐exchange resin. The major interfering ions, e.g. calcium and magnesium were excluded from enrichment by appropriate adjustment of pH. Desorption of the trapped metals was effected by elution with HCl (0.1 M). Recoveries of Cu2+, Ni2+, Co2+, Pb2+, Zn2+ reached 99%. By comparison with preconcentration methods using cation‐exchange resin, this method has the advantages of selectivity, quantitative recovery, small cost of operation, and simple procedure.
The 4α‐Methylsterol Violasterol A from Viola Formosana Hayata
Authors: Lee Shwu‐Woan , Chen Zong‐Tsi , Chen Chiu‐Ming 
Published: May 2015

AbstractA new 4α‐methylsterol, violasterol A, with three known flavonoids‐luteolin, luteolin 7‐O‐β‐D‐glucoside and tricin‐were isolated from ethanolic extract of whole plants of Viola formosana. The structure of vioiasterol A was assigned to be (22E)‐4α‐methyl‐24ξ‐isopropenyl‐5α‐cholesta‐7, 22‐diene‐3β‐ol (1) on the basis of spectral and chemical evidence.
Alkylation of Ethylbenzene with Methanol on HY, HM and HZSM‐5 Zeolite
Authors: Ko An‐Nan , Huang Chin Shyuaan 
Published: May 2015

AbstractThe alkylation of ethylbenzene with methanol on various zeolites has been studied at atmospheric pressure, 300–500 °C and with ethylbenzene/methanol = 3 mol/mol in a fixed‐bed, integral‐flow reactor. The catalytic activity decreased in the order HZSM‐5 > HY > HM. The optimum conditions for the formation of ethyltoluene were HY zeolite, 400 °C and W/F = 4.1 g‐cat h/g‐feed. The catalyst decay rate increased in the order HZSM‐5 << HY < HM; coking of the zeolite increased the fraction of para‐isomer in the ethyltoluenes. On HZSM‐5 modified with alkaline earth metal, the conversion of ethylbenzene decreased with concomitantly increased selectivity of para‐ethyltoluene especially evident in cases of magnesium and calcium (> 93% para‐selectivity). These results are interpreted in terms of diminution of both the strong acid sites and the pore size of zeolites. For the reaction on HY at 400 °C, the reaction paths were determined; the ethylbenzene reacted via alkylation, disproportionation and dealkylation with initial selectivities 84.7%, 13.1% and 2.2%, respectively.
Constituents of Houttuyniae Cordata and the Crystal Structure of Vomifoliol
Authors: Jong Ting‐Ting , Jean Meei‐Yueh 
Published: May 2015

AbstractIn the isolation of the constituents of Houttuyniae cordata, ten pure compounds including 1,3,5‐tridecanoylbenzene (1), caryophyllene oxide (2), several sterones (3‐6) and sesamin (7), plus long‐chain alcohol mixture, a steroidal mixture and 4‐hydroxybenzoic acid methyl ester (8), vomifoliol (9) [or Blumenol A], quercetin‐3‐O‐β‐L‐rhamnoside (10), were isolated from the aerial parts of H cordata. Their structures were determined by spectral analysis. Among them, compound 1 is for the first time isolated from nature. We describe here the spectral analysis of 1, and the X‐ray determination of the relative stereochemistry of vomifoliol (9).
A Novel Canthin‐6‐One Alkaloid Isolated from Cell Suspension Cultures of Brucea Javanica (L.) Merr
Authors: Chen Karin Chiung‐Sheue , Chang Hui‐Li , Chan Mei‐Ling , Lee Shoei‐Sheng 
Published: May 2015

AbstractDuring investigation of cell suspension cultures of Brucea javanica (L.) Merr., the canthin‐6‐one alkaloid 5,11‐dimethoxycanthin‐6‐one (1) was isolated. The structural determination is based on spectral analysis. Five other alkaloids, canthin‐6‐one‐3‐N‐oxide (2), 11‐hydroxycanthin‐6‐one (3), canthin‐6‐one (4), 5‐methoxycanthin‐6‐one (5), and 11‐methoxycanthin‐6‐one (6), were also identified.
Xenon Adsorption and Xe‐129 NMR on Faujasite Zeolites
Authors: Shy Dcr‐Shiuh , Chao Kuei‐Jung 
Published: May 2015

AbstractFaujasites of Si/Al = 2–5 were obtained by direct synthesis and (NH4)SiF6 dealumination. The dependence of their Xe‐129 NMR and xenon adsorption isotherm on Al content was used to monitor the inhomogeneous distribution of Al in synthesized samples of faujasite.
Measurement of the Hydrolysis of Tin Tetraacetate by Proton and Carbon‐13 NMR Spectroscopy
Authors: Lin Hann‐Jenn , Lin Yun‐Huin , Chen Jyh‐Horung , Hwang Lian‐Pin 
Published: May 2015

AbstractSolid‐state l3C CP/MAS spectral analysis of the hydrolysis products of Sn(OAc)4 allowed the hydrolysis intermediates, Sn(OH)(OAc)3, Sn(OH)2(OAc)2 and Sn(OH)3(OAc), to be identified. The results show that the hydrolysis consists of three steps; the first and second steps are consecutive reactions and the third is reversible. Intermolecular exchange between hydrolysis products (i.e. Sn(OAc)4, Sn(OH)(OAc)2, Sn(OH)2(OAc)2 and Sn(OH)3(OAc),) and acetic acid was observed from the measurement of 1H and 13C solution spectra at varied temperatures in CD2Cl2 with ΔG‡348 50.5 kJ mol−1.
Synthesis of 6,13‐Dihydroxyimino‐5,12‐Dimethyl‐ 7,14‐Dioxo‐1,4,8,11‐Tetraazacyclotetradeca‐4,11‐Diene
Authors: Lin Cheng‐Hsien 
Published: May 2015

Abstract6,13‐Dihydroxyimino‐5,12‐dimethyl‐7,14‐dioxo‐1,4,8,11‐tetraazacyclotetradeca‐4,11‐diene 2 was prepared by condensation of ethyl α‐oximinoacetoacetate with ethylenediamine in tetrahydrofuran at room temperature. Reduction of 2 gave the corresponding 6,13‐dihydroxyimino‐5,12‐dimethyl‐7,14‐dioxo‐1,4,8,11‐tetraazacyclotetradecane 3. Acylation of 2 afforded 6,13‐bis(O‐acetoxyimino)‐5,12‐dimethyl‐7,14‐dioxo‐1,4,8,1 l‐tetraazacyclotetradeca‐4,11‐diene 4. The structures of 2, 3 and 4 were determined by IR, NMR and mass spectroscopy.
Substituent Effects on the Chemical Reactivities of Tricarbonyl and Tetracarbonyl Iron Complexes of 7‐Azanorbornadiene Derivatives
Authors: Huang Hai‐Wei , Lee Shyi‐Long , Chow Tahsin J. 
Published: May 2015

AbstractThe intermediates of nitrene‐extrusion reaction were found in the forms of (ANB)Fe(CO)4 or (ANB)Fe(CO)3 during the reaction of 7‐azanorbornadiene derivatives (ANB) with diiron nonacarbonyl. By using extended Hückel molecular orbital (EHMO) calculation, we found that the chemical behavior of these complexes is correlated with the nature of substituents of ANB. The relative reactivity of (ANB)Fe(CO)4 and (ANB)Fe(CO)3 is influenced by the charge distributions on iron and nitrogen. In the crystal structure of (ANB)Fe(CO)4 an angular distortion of Fc‐C=O is observed, which is a result of donor‐acceptor interaction between the lone‐pair of N and the π* orbital of CO.
Catalytic Properties of Layered and Pillared Buserite
Authors: Wong She‐Tin , Cheng Soofin 
Published: May 2015

AbstractThe catalytic properties of Na‐buserite and Keggin ion‐pillared buserite (abbreviated as KPB) in the oxidation of ethane, were investigated with varied mixtures of ethane and air. Na‐buserite Na4Mn14O26 xH2O is a layered manganese oxide, KPB was prepared by the introduction of aluminium Keggin ions, [Al13O4(OH)24(H2O)12]7+ into the interlayers. Pillaring of the interlayers increases the active surface area participating in the reactions, as indicated by greater conversion over KPB than over a Na‐buserite catalyst. In an oxygen‐rich environment, complete combustion of ethane is achieved at temperatures ≈︁ 350 °C over KPB, and the structure of KPB is retained. The structure of KPB is less stable than that of Na‐buserite in an oxygen‐poor environment, and it disintegrates at large conversion. This phenomenon is explained in terms of the oxygen deficiency in the interlayer at a large reaction rate. Similar effects were absent from an oxygen‐rich environment. The variation of the product selectivity of Na‐buserite and KPB catalysts is discussed in terms of the presence of interlayer reaction sites.