bluuebunny/crossref_metadata_2025_split huggingface dataset:
Measuring and modelling of linear water vapour transmittance of steel sandwich panels with mineral wool
Authors: Vidmar Gregor , Knez Friderik 
Published: August 2015

AbstractNowadays the measurement of water vapour diffusion resistance factor of building components is performed according to EN ISO 12572 or EN 12086. Both these standards use cup methods. However, measuring vapour transmission in this way by means of linear or point water vapour bridges would be difficult because of the limited sample size and shape. Therefore in this study water vapour pressure equipment with twin chambers, according to the old Slovenian standard JUS U.J5.024 standard were used, enhanced with a guard chamber. 15 cm thick sandwich panels composed of 2 steel sheets with a mineral wool core and 5 types of joints were measured. The type of sealant used between the steel sheets (outer and inner pair) and mineral wool differs: without it, with a PUR or with an EPDM sealant. Due to the slow process of water vapour diffusion through such panels, measurements were stopped well before steady state was reached. Experimental results were modelled to obtain linear water vapour transmittance. Our modelling function contains 2 fit‐parameters. Due to the vapour‐guard, final results improve systematically. Modelling procedure works on panels, which are faster than standardised steady‐state ones.Messung und Simulation der linearen Wasserdampftransmission durch Stahl‐Sandwichpaneele mit Mineralwolledämmung. Die Messung des Wasserdampfdiffusions‐Durchlasskoeffizienten von Baukomponenten erfolgt nach EN ISO 12572 oder EN 12086. Beide Verfahren arbeiten mit Probenschalen. Die Messung der Dampftransmission auf diese Weise mittels linearer oder punktueller Wasserdampfbrücken ist aufgrund der Einschränkungen der Probengröße und ‐form jedoch schwierig. Deshalb wurde in der vorliegenden Studie ein 2‐Kammern‐Wasserdampfdruck‐Versuchsaufbau nach der alten Norm JUS U.J5.024 verwendet und mit einer Abschirmkammer verbessert. Gemessen wurden 15 cm starke Sandwichpaneelen bestehend aus 2 Stahlblechen mit MW‐Kern und 5 Arten von Fugen. Es wurden unterschiedliche Arten von Dichtstoffen zwischen den Stahlblechen (äußeres und inneres Paar) und der Mineralwolle verwendet: ohne Dichtstoff, mit einem PUR‐ oder mit einem EPDM‐Dichtstoff. Aufgrund des langsamen Voranschreitens der Wasserdampfdiffusion durch derartige Paneelen wurden die Messungen lange vor Erreichen des stabilen Zustands beendet. Die Ergebnisse des Experiments wurden simuliert, um die lineare Wasserdampftransmission zu erhalten. Unsere Simulationsfunktion enthält 2 Fit‐Parameter. Die Dampfabschirmung sorgt für eine systematische Verbesserung des Endergebnisses. Das Simulationsverfahren arbeitet mit Paneelen und ist hierdurch schneller als das Normverfahren im stationären Zustand.
A ratiometric fluorescent probe for alkaline phosphatase via regulation of excited‐state intramolecular proton transfer
Authors: Fan Chunlei , Luo Shengxu , Qi Haiping 
Published: August 2015

AbstractA ratiometric fluorescent probe 2‐(benzimidazol‐2‐yl)phenyl phosphoric acid (1) for alkaline phosphatase (ALP) is designed and synthesized. The method employs the modulation of the excited‐state intramolecular proton transfer (ESIPT) process of 2‐(2'‐hydroxyphenyl)benzimidazole (HPBI) through the hydroxyl group protection/deprotection reaction. Upon phosphorylated with POCl3, HPBI shows only an emission peak at 363 nm due to the blockage of ESIPT. However, once selective enzymatic hydrolysis with alkaline phosphatase (ALP) in Tris–HCl buffer occurs, the probe 1 is returned to HPBI and the ESIPT process is switched on, which results in a decrease in the emission band at 363 nm and an increase in a new fluorescence peak around 430 nm. The fluorescence intensity ratio at 430 and 360 nm (I430/I360) increases linearly with the activity of ALP up to 0.050 U/mL and the detection limit is 0.0013 U/mL. The proposed probe shows excellent specificity toward ALP. Copyright © 2015 John Wiley & Sons, Ltd.
Electrochemical activation of engineered protein switches
Authors: Choi Jay H. , Zayats Maya , Searson Peter C. , Ostermeier Marc 
Published: August 2015

ABSTRACTEngineered protein switches have a large dynamic range, high specificity for the activating ligand, and a modular architecture, and have been explored for a wide range of applications including biosensors and therapeutics. The ability to externally control switch function is important in extending applications for protein switches. We recently demonstrated that the on/off state could be controlled by the redox state of disulfide bonds introduced into the switches at select locations. Here, we demonstrate that an electrochemical signal can be used as an exogenous input to control switch function via reduction of the engineered disulfide bonds. This study suggests that disulfide‐containing protein switch is a potentially useful platform for bioelectronic sensors with remote control of the sensing ability. Biotechnol. Bioeng. 2016;113: 453–456. © 2015 Wiley Periodicals, Inc.
An update on immunopathogenesis, diagnosis, and treatment of multiple sclerosis
Authors: Garg Neeta , Smith Thomas W. 
Published: August 2015

AbstractBackgroundMultiple sclerosis is an acquired demyelinating disease of the central nervous system. It is the second most common cause of disability in adults in United States after head trauma.DiscussionThe etiology of MS is probably multifactorial, related to genetic, environmental, and several other factors. The pathogenesis is not fully understood but is believed to involve T‐cell‐mediated inflammation directed against myelin and other related proteins with a possible role for B cells. The McDonald criteria have been proposed and revised over the years to guide the diagnosis of MS and are based on clinical presentation and magnetic resonance imaging (MRI) of the brain and spinal cord to establish dissemination in time and space. The treatment of MS includes disease modification with immunomodulator drugs and symptom management to address the specific symptoms such as fatigue, spasticity, and pain.ConclusionAn update on etiology, pathogenesis, diagnosis, and immunomodulatory treatment of MS is presented.
A Fluorescent 1,3‐Diaminonaphthalimide Conjugate of Calix[4]arene for Sensitive and Selective Detection of Trinitrophenol: Spectroscopy, Microscopy, and Computational Studies, and Its Applicability using Cellulose Strips
Authors: Bandela Anil Kumar , Bandaru Sateesh , Rao Chebrolu Pulla 
Published: August 2015

AbstractA new fluorescent 1,3‐diaminonaphthalimide conjugate of calix[4]arene receptor (R) was synthesized and characterized. The receptor displays good selectivity towards trinitrophenol (TNP) over other explosive aromatic‐ and aliphatic‐nitro compounds by exhibiting changes in its fluorescence emission. Receptor‐coated cellulose paper strips are equally effective in terms of their selective detection of TNP over other aromatic‐ and aliphatic‐nitro compounds. When used in solution or on cellulose paper strips, R can detect up to submicromolar concentration of TNP by exhibiting changes in its fluorescence emission and in its supramolecular structure upon interaction. Interestingly, the microscopy features of R, TNP, and {R+TNP} are quite distinct, indicating the interactions present between R and TNP, as studied by using AFM and TEM. Computationally modeled complexes of receptor with TNP and TNT show enormous difference in their interaction energies in the favor of TNP by showing the host–guest interaction of cation⋅⋅⋅anion type in the presence of TNP but not TNT. This is because the receptor adopts an “arms‐open”‐type structure in the case of the TNP complex, whereas it adopts an “arms‐closed”‐type structure in the presence of TNT. Both the experimental and the computational studies reveal that the receptor selectively binds to TNP over TNT. Thus, R‐coated Whatman No.1 filter paper strips provide easy, rapid, and economical detection of trace amounts of TNP both by visual and spectral measurement.
Mono‐ and Dinuclear Heteroleptic Cobalt Complexes with α‐Diimine and Polyarene Ligands
Authors: Wang Xuting , Zhao Yanxia , Gong Shida , Liu Bin , Li Qian‐Shu , Su Ji‐Hu , Wu Biao , Yang Xiao‐Juan 
Published: August 2015

AbstractReactions of the dimeric cobalt complex [(L−Co)2] (1, L=[(2,6‐iPr2C6H3)NC(Me)]2) with polyarenes afforded a series of mononuclear and dinuclear complexes: [LCo(η4‐anthracene)] (2), [LCo(μ‐η4:η4‐naphthalene)CoL] (3), and [LCo(μ‐η4:η4‐phenanthrene)CoL] (4). The pyrene complexes [{Na2(Et2O)2}{LCo(μ‐η3:η3‐pyrene)CoL}] (5) and [{Na2(Et2O)3}{LCo(η3‐pyrene)}] (6) were obtained by treating precursor 1 with pyrene followed by reduction with Na metal. These complexes contain three potential redox active centers: the cobalt metal and both α‐diimine and polyarene ligands. Through a combination of X‐ray crystallography, EPR spectroscopy, magnetic susceptibility measurement, and DFT computations, the electronic configurations of these complexes were studied. It was determined that complexes 2–4 have a high‐spin CoI center coupled with a radical α‐diimine ligand and a neutral polyarene ligand. Whereas, the ligand L in complexes 5 and 6 has been further reduced to the dianion, the cobalt remains in a formal (I) oxidation state, and the pyrene molecule is either neutral or monoanionic.
Peptide δ‐Turn: Literature Survey and Recent Progress
Authors: Toniolo Claudio , Crisma Marco , Moretto Alessandro , Peggion Cristina , Formaggio Fernando , Alemán Carlos , Cativiela Carlos , Ramakrishnan Chandrasekharan , Balaram Padmanabhan 
Published: August 2015

AbstractAmong the various types of α‐peptide folding motifs, δ‐turn, which requires a central cis‐amide disposition, has been one of the least extensively investigated. In particular, this main‐chain reversal topology has been studied in‐depth neither in linear/cyclic peptides nor in proteins. This Minireview article assembles and critically analyzes relevant data from a literature survey on the δ‐turn conformation in those compounds. Unpublished results from recent conformational energy calculations and a preliminary solution‐state analysis on a small model peptide, currently ongoing in our laboratories, are also briefly outlined.
Utilization of Active Ni to Fabricate Pt–Ni Nanoframe/NiAl Layered Double Hydroxide Multifunctional Catalyst through In Situ Precipitation
Authors: Ren Fumin , Wang Zheng , Luo Liangfeng , Lu Haiyuan , Zhou Gang , Huang Weixin , Hong Xun , Wu Yuen , Li Yadong 
Published: August 2015

AbstractIntegration of different active sites into metallic catalysts, which may impart new properties and functionalities, is desirable yet challenging. Herein, a novel dealloying strategy is demonstrated to decorate nickel–aluminum layered double hydroxide (NiAl–LDH) onto a Pt–Ni alloy surface. The incorporation of chemical etching of Pt–Ni alloy and in situ precipitation of LDH are studied by joint experimental and theoretical efforts. The initial Ni‐rich Pt–Ni octahedra transform by interior erosion into Pt3Ni nanoframes with enlarged surface areas. Furthermore, owing to the basic active sites of the decorated LDH together with the metallic sites of Pt3Ni, the resulting Pt–Ni nanoframe/NiAl–LDH composites exhibit excellent catalytic activity and selectivity in the dehydrogenation of benzylamine and hydrogenation of furfural.
Metal‐Free Oxidative CC Bond Formation through CH Bond Functionalization
Authors: Narayan Rishikesh , Matcha Kiran , Antonchick Andrey P. 
Published: August 2015

AbstractThe formation of CC bonds embodies the core of organic chemistry because of its fundamental application in generation of molecular diversity and complexity. CC bond‐forming reactions are well‐known challenges. To achieve this goal through direct functionalization of CH bonds in both of the coupling partners represents the state‐of‐the‐art in organic synthesis. Oxidative CC bond formation obviates the need for prefunctionalization of both substrates. This Minireview is dedicated to the field of CC bond‐forming reactions through direct CH bond functionalization under completely metal‐free oxidative conditions. Selected important developments in this area have been summarized with representative examples and discussions on their reaction mechanisms.
A Boron Dipyrromethene (BODIPY)‐Based CuII–Bipyridine Complex for Highly Selective NO Detection
Authors: Juárez L. Alberto , Barba‐Bon Andrea , Costero Ana M. , Martínez‐Máñez Ramón , Sancenón Félix , Parra Margarita , Gaviña Pablo , Terencio M. Carmen , Alcaraz M. José 
Published: August 2015

AbstractA BODIPY‐containing CuII–bipyridine complex for the simple selective fluorogenic detection of NO in air and in live cells is reported. The detection mechanism is based on NO‐promoted CuII to CuI reduction, followed by demetallation of the complex, which results in the clearly enhanced emission of the boron dipyrromethene (BODIPY) unit.
Power‐to‐Gas
Authors: Ewald Stefan , Koschany Franz , Schlereth David , Wolf Moritz , Hinrichsen Olaf 
Published: August 2015

AbstractDas Power‐to‐Gas‐Konzept ist ein praktikabler Ansatz der chemischen Energiespeicherung, um die Herausforderungen der Energiewende zu meistern. Die heterogene Katalyse spielt bei der Umsetzung von CO2 eine entscheidende Rolle, welches beispielsweise bei Einsatz Ni‐basierter Katalysatoren mit Wasserstoff zu Methan umgesetzt wird. Durch eine tiefgehende Charakterisierung ist es möglich, optimierte Katalysatorsysteme herzustellen. Das Bestimmen der Kinetik der Reaktion ermöglicht eine industrienahe Reaktorauslegung.
Impact of industry sector on corporate diversification and firm performance: Evidence from Indian business groups
Authors: Lahiri Somnath , Purkayastha Saptarshi 
Published: August 2015

AbstractPrior business group (BG) studies implicitly assume that corporate diversification‐firm performance relationships are uniform across industry sectors. This generalization may lead to research implications that are not equally true for BG‐affiliated manufacturing and service firms. Drawing on strategy and marketing literature, this research addresses this scholarly gap. Our empirical analysis of a large sample of BG‐affiliated Indian firms over a five‐year period (2004‐2008) indicates that the influence of corporate diversification on firm performance is greater for affiliated service firms than affiliated manufacturing firms. Results also indicate that the influence of BG size and diversity on diversification‐firm performance relationship varies significantly depending on whether the focal firm belongs to the manufacturing or service sector. Firm's share ownership does not generate similar influence. Copyright © 2015 ASAC. Published by John Wiley & Sons, Ltd.
Novel risk stratification score for predicting early distant brain failure and salvage whole‐brain radiotherapy after stereotactic radiosurgery for brain metastases
Authors: Press Robert H. , Prabhu Roshan S. , Nickleach Dana C. , Liu Yuan , Shu Hui‐Kuo G. , Kandula Shravan , Patel Kirtesh R. , Curran Walter J. , Crocker Ian 
Published: August 2015

BACKGROUNDThe purpose of this study was to evaluate predictors of early distant brain failure (DBF) and salvage whole‐brain radiotherapy (WBRT) after treatment with stereotactic radiosurgery (SRS) for brain metastases and create a clinically relevant risk score to stratify patients’ risk for these events.METHODSThe records of 270 patients with brain metastases who were treated with SRS between 2003 and 2012 were reviewed. Pretreatment patient and tumor characteristics were analyzed with univariate and multivariate analyses. The cumulative incidences of first DBF and salvage WBRT were calculated. Significant factors were used to create a score for stratifying early (6‐month) DBF risk.RESULTSNo prior WBRT, a total lesion volume < 1.3 cm3, primary breast cancer or malignant melanoma histology, and multiple metastases (≥2) were found to be significant predictors of early DBF. Each factor was ascribed 1 point because of similar hazard ratios. Scores of 0 to 1, 2, and 3 to 4 were considered to indicate low, intermediate, and high risk, respectively. This correlated with 6‐month cumulative incidences of DBF of 16.6%, 28.8%, and 54.4%, respectively (P < .001). For patients without prior WBRT, the 6‐month cumulative incidence of salvage WBRT was 2%, 17.7%, and 25.7%, respectively (P < .001).CONCLUSIONSEarly DBF after SRS requiring salvage WBRT remains a significant clinical problem. Patient stratification for early DBF can better inform the decision for the initial treatment strategy for brain metastases. The provided risk score may help to predict early DBF and subsequent salvage WBRT if SRS is initially used. External validation is needed before clinical implementation. Cancer 2015;121:3836–3843. © 2015 American Cancer Society.
Correlation of microbiologic culture and fine‐needle aspiration cytology: A 14‐year experience at a single institution
Authors: Clement Cecilia G. , Williams‐Bouyer Natalie M. , Nawgiri Ranjana S. , Schnadig Vicki J. 
Published: August 2015

BACKGROUNDFine‐needle aspiration (FNA) is an important tool for the diagnosis of infectious disease. FNA material should be appropriately submitted for cultures when indicated by preliminary findings. Correlation of cytologic diagnoses with culture results are important quality assurance tools. The current study reviewed 14 years of FNA‐culture correlation.METHODSFNA cytology‐culture correlation records from the years 1996 through 2007 and 2010 through 2011 were retrieved from electronic databases compiled for histology and culture correlation. Correlation was limited to those cases for which material was submitted for culture from the FNA sample. Culture results were retrieved from the laboratory or hospital information system.RESULTSCorrelative data included 770 cases. Cytology, culture, or both were positive for microbes in 416 of 770 samples (54%), excluding cultured bacterial skin contaminants. Among the 204 bacteria cases, 93 (46%) were identified by cytology and culture, 92 (45%) were identified by culture only, and 19 (9%) were identified by cytology only. Among the 16 cases of Actinomycetales, 8 (50%) were identified by cytology and culture, 5 (31%) were identified by culture only, and 3 (19%) were identified by cytology only. Of the 129 cases of mycobacteria, 63 (49%) were identified by cytology and culture, 44 (34%) were identified by culture only, and 22 (17%) were identified by cytology only. Among the 67 cases of fungi, 34 (51%) were identified by cytology only, with 15 of these 34 cases being fungal hyphae; 25 cases (37%) were identified by cytology and culture, with a 100% concordance between the cytology diagnosis and culture result; and 8 cases (12%) were identified by culture only.CONCLUSIONSFNA cytology‐culture correlation is a valuable tool with which to assess the efficacy and limitations of the direct diagnosis of infectious agents, and to identify types of infections that may be negative on culture but positive on cytology diagnosis. Cancer (Cancer Cytopathol) 2015;123:612–9. © 2015 American Cancer Society.
Analyzing related raw data files through dataflows
Authors: Silva Vítor , de Oliveira Daniel , Valduriez Patrick , Mattoso Marta 
Published: August 2015

SummaryComputer simulations may ingest and generate high numbers of raw data files. Most of these files follow a de facto standard format established by the application domain, for example, Flexible Image Transport System for astronomy. Although these formats are supported by a variety of programming languages, libraries, and programs, analyzing thousands or millions of files requires developing specific programs. Database management systems (DBMS) are not suited for this, because they require loading the raw data and structuring it, which becomes heavy at large scale. Systems like NoDB, RAW, and FastBit have been proposed to index and query raw data files without the overhead of using a database management system. However, these solutions are focused on analyzing one single large file instead of several related files. In this case, when related files are produced and required for analysis, the relationship among elements within file contents must be managed manually, with specific programs to access raw data. Thus, this data management may be time‐consuming and error‐prone. When computer simulations are managed by a scientific workflow management system (SWfMS), they can take advantage of provenance data to relate and analyze raw data files produced during workflow execution. However, SWfMS registers provenance at a coarse grain, with limited analysis on elements from raw data files. When the SWfMS is dataflow‐aware, it can register provenance data and the relationships among elements of raw data files altogether in a database, which is useful to access the contents of a large number of files. In this paper, we propose a dataflow approach for analyzing element data from several related raw data files. Our approach is complementary to the existing single raw data file analysis approaches. We use the Montage workflow from astronomy and a workflow from Oil and Gas domain as data‐intensive case studies. Our experimental results for the Montage workflow explore different types of raw data flows like showing all linear transformations involved in projection simulation programs, considering specific mosaic elements from input repositories. The cost for raw data extraction is approximately 3.7% of the total application execution time. Copyright © 2015 John Wiley & Sons, Ltd.
Host–Guest Complexes of Flavylium Cations and Cucurbit[7]uril: The Influence of Flavylium Substituents on the Structure and Stability of the Complex
Authors: Basílio Nuno , Petrov Vesselin , Pina Fernando 
Published: August 2015

AbstractThe host–guest complexes formed from six differently substituted flavylium cations and cucurbit[7]uril (CB7) have been characterized by UV/Vis absorption, fluorescence emission and 1H NMR spectroscopy. It was observed that all flavylium cations form 1:1 inclusion complexes with association constants that depend on the nature and position of the substituents. The results indicate that CB7 displays higher affinity for more hydrophobic flavylium compounds and for those bearing amino substituents. 1H NMR spectroscopy was used to elucidate the structure of the complexes. While for 7‐hydroxyflavylium and 4‐methyl‐7‐hydroxyflavylium the phenyl group (ring B) is included within the host's cavity leaving the benzopyrilium group (rings A and C) outside, in 4′,7‐dihydroxyflavylium and 3′,4′,7‐trihydroxyflavylium the macrocycle shuttles between rings A and B. For compounds with amino substituents it was found that CB7 is attracted towards these groups regardless of their position in ring A or B. In addition, it was observed that the dimethylamino group tends to be positioned near the carbonyl‐decorated portal while the diethylamino motif prefers the hydrophobic cavity of CB7.