bluuebunny/crossref_metadata_2025_split huggingface dataset:
Permeability Variations Associated With Fault Reactivation in a Claystone Formation Investigated by Field Experiments and Numerical Simulations
Authors: Jeanne Pierre , Guglielmi Yves , Rutqvist Jonny , Nussbaum Christophe , Birkholzer Jens 
Published: February 2018

AbstractWe studied the relation between rupture and changes in permeability within a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). A series of water injection experiments were performed in a borehole straddle interval set within the damage zone of the main fault. A three‐component displacement sensor allowed an estimation of the displacement of a minor fault plane reactivated during a succession of step rate pressure tests. The experiment reveals that the fault hydromechanical (HM) behavior is different from one test to the other with varying pressure levels needed to trigger rupture and different slip behavior under similar pressure conditions. Numerical simulations were performed to better understand the reason for such different behavior and to investigate the relation between rupture nucleation, permeability change, pressure diffusion, and rupture propagation. Our main findings are as follows: (i) a rate frictional law and a rate‐and‐state permeability law can reproduce the first test, but it appears that the rate constitutive parameters must be pressure dependent to reproduce the complex HM behavior observed during the successive injection tests; (ii) almost similar ruptures can create or destroy the fluid diffusion pathways; (iii) a too high or too low diffusivity created by the main rupture prevents secondary rupture events from occurring whereas “intermediate” diffusivity favors the nucleation of a secondary rupture associated with the fluid diffusion. However, because rupture may in certain cases destroy permeability, this succession of ruptures may not necessarily create a continuous hydraulic pathway.
Improving Remote Sensing of Aerosol Microphysical Properties by Near‐Infrared Polarimetric Measurements Over Vegetated Land: Information Content Analysis
Authors: Hou Weizhen , Li Zhengqiang , Wang Jun , Xu Xiaoguang , Goloub Philippe , Qie Lili 
Published: February 2018

AbstractWhile polarimetric measurements contain valuable information regarding aerosol microphysical properties, polarization data in the near‐infrared (NIR) bands have not been widely utilized. This paper evaluates whether the aerosol property information contents from single‐viewing satellite polarimetric measurements at 1,610 and 2,250 nm can be used to improve the retrieval of aerosol parameters over vegetated land, in combination with shorter‐wavelength bands (490, 670, and 870 nm). The a priori information and errors for the analysis are derived by assuming that the surface reflectance at visible wavelengths can be derived from the top of atmosphere at 2,250 nm. The information content in the synthetic data set is investigated for 10 aerosol parameters characterizing the columnar aerosol volumes (
and
), particle size distributions (
,
,
, and
), and refractive indices (
,
,
, and
) for the fine‐ and coarse‐mode aerosol models, respectively, and one parameter C characterizing the surface polarization. The results indicate that the degrees of freedom for signal can be increased by at least 2 with the addition of NIR measurements and that one to three additional parameters could be further retrieved with significantly decreased uncertainties. In addition, the 1,610 nm band is necessary for the simultaneous retrieval of
,
, and
for the fine mode dominated aerosols, while the 1,610 and 2,250 nm bands are both indispensable for retrieving
,
,
,
, and
in tandem for the coarse mode dominated aerosols. The analysis also reveals that C could be further retrieved by including scalar radiance and that measurement errors have significantly larger influences on the retrieval uncertainties than model errors.
Changes in Atmospheric Butanes and Pentanes and Their Isomeric Ratios in the Continental United States
Authors: Rossabi Sam , Helmig Detlev 
Published: February 2018

AbstractNonmethane hydrocarbons have been used as tracers in research on emissions and atmospheric oxidation chemistry. This research investigates source region mixing ratio trends of the nonmethane hydrocarbons i‐butane, n‐butane, i‐pentane, and n‐pentane, and the (i/n) isomeric ratios of these compounds between 2001 and 2015. Data collected at Photochemical Assessment Monitoring Stations, mandated by the U.S. Environmental Protection Agency in ozone nonattainment areas, and data collected at Global Greenhouse Gas Reference Network sites within the National Oceanic and Atmospheric Administration network, and analyzed at the Institute of Arctic and Alpine Research at the University of Colorado‐Boulder, were examined. Among all considered species, linear regression analyses on concentration time series had negative slopes at 81% of sites, indicating predominantly declining butane and pentane atmospheric concentrations. Mostly negative slopes (78% of sites) were found for the (i/n) butane and pentane isomeric ratios, including all six and seven statistically significant (i/n) butane and pentane trends, respectively. Over the ~15 year investigation period and averaged over all sites, total relative changes were ~30 and 45% for the (i/n) ratios of butanes and pentanes, respectively, with a relative increase in the prominence of the n‐isomers. Most likely causes include changing isomeric ratios in gasoline sector emissions, and increasing influence of oil and natural gas industry emissions. Changes in concentrations and isomeric ratios depend on proximity of contributing emission sources to measurement sites.
Experience and Context Shape Patient and Clinician Goals For Treatment of Rheumatoid Arthritis: A Qualitative Study
Authors: Barton Jennifer L. , Hulen Elizabeth , Schue Allison , Yelin Edward H. , Ono Sarah S. , Tuepker Anais , Koenig Christopher J. 
Published: February 2018

ObjectiveAlignment of patient and clinician goals, which is central to effective patient‐centered care, has been linked to improved patient experience and outcomes but has not been explored in rheumatoid arthritis (RA). The aim of this study was to analyze goal conceptualization among RA patients and clinicians.MethodsSeven focus groups and 1 semi‐structured interview were conducted with RA patients and clinicians who were recruited from 4 rheumatology clinics. An interview guide was developed to explore goal concordance related to RA treatment. Researchers utilized a concurrent deductive‐inductive data analysis approach.ResultsNineteen patients (mean age 55 years, 74% female, 32% non‐white, and 26% Spanish‐speaking) and 18 clinicians (44% trainees, 44% female, 28% non‐white) participated. Across clinician and patient focus groups, the 2 identified domains were patient knowledge of RA and psychosocial dynamics (stress) in RA treatment. Within the knowledge domain, 3 themes emerged: RA knowledge for informed choice, RA knowledge to ensure adherence and medication safety, and clinician assumption of patient inability to interpret information. Within the second domain of RA and stress, 2 themes emerged: patient illness experience informs treatment context in ways that are not shared by clinicians, and the impact of patient‐clinician communication and decision‐making on goal concordance.ConclusionKnowledge is a shared goal, but RA patients and clinicians hold divergent attitudes towards this goal. While knowledge is integral to self‐management and effective shared decision‐making, mismatches in attitudes may lead to suboptimal communication. Tools to support patient goal–directed RA care may promote high quality patient‐centered care and result in reduced disparities.
From Early Radiographic Knee Osteoarthritis to Joint Arthroplasty: Determinants of Structural Progression and Symptoms
Authors: Roemer Frank W. , Kwoh C. Kent , Fujii Tomoko , Hannon Michael J. , Boudreau Robert M. , Hunter David J. , Eckstein Felix , John Markus R. , Guermazi Ali 
Published: February 2018

ObjectiveTo assess structural progression in knees with no/mild radiographic osteoarthritis (OA) (i.e., Kellgren/Lawrence [K/L] grades 0–2) that will undergo knee replacement during a 5‐year period; to assess differences in structural damage on magnetic resonance imaging (MRI) in knees with no/mild radiographic OA versus those with severe radiographic OA (i.e., K/L grades 3 and 4) at baseline; and to assess differences in pain levels between those groups.MethodsAll participants who underwent knee replacement from baseline to 60 months were drawn from the Osteoarthritis Initiative. MRIs were assessed for bone marrow lesions (BMLs), Hoffa synovitis, and effusion synovitis (i.e., hyperintensity signal changes in the fat pad and abnormal amount of capsular distension due to intraarticular joint fluid and/or synovial thickening) at baseline and at the time point before knee replacement (T0). The Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) and Knee Injury and Osteoarthritis Outcome Score (KOOS) pain were used for pain characterization. WOMAC activities of daily living and KOOS quality of life were applied to characterize functional status of the included participants. Logistic regression was used to assess the association of no/mild radiographic OA with these MRI features and pain.ResultsBased on inclusion criteria, 181 knees were selected. Participants were predominantly female (57.8%) with a mean age of 64.4 years. A total of 51 knees (28.2%) had no/mild radiographic OA at baseline. Of these, 51.0% progressed to severe radiographic OA. No/mild radiographic OA knees showed higher odds of BMLs in the patellofemoral joint at baseline (odds ratio [OR] 7.92 [95% confidence interval (95% CI) 3.45–18.16]) and T0 (OR 9.44 [95% CI 4.00–22.28]) compared to severe radiographic OA knees. In addition, no/mild radiographic OA knees were associated with change from no pain to pain from baseline to T0 (adjusted OR 5.48 [95% CI 1.25–24.00]).ConclusionMore than half of the knees with no/mild radiographic OA before knee replacement progressed to severe radiographic OA during 4 years of follow‐up. BMLs in the patellofemoral joint were more often seen among knees that had no/mild radiographic OA. Worsening pain status may contribute to knee replacement in knees with no/mild radiographic OA.
Pechmann Dye‐Based Molecules Containing Fluorobenzene Moieties for Ambipolar Organic Semiconductors
Authors: Luo Hewei , Dong Xiaobiao , Cai Zhengxu , Wang Lizhen , Liu Zitong 
Published: February 2018

AbstractTwo hybrid A2‐D‐A1‐D‐A2 (A=acceptor, D=donor) molecules, that is, (E)‐5,5′‐bis[5‐(4‐fluorophenyl)thiophen‐2‐yl]‐1,1′‐dioctyl‐[3,3′‐bipyrrolylidene]‐2,2′(1H,1′H)‐dione (FBBPD) and (E)‐1,1′‐dioctyl‐5,5′‐bis[5‐(3,4,5‐trifluorophenyl)thiophen‐2‐yl]‐[3,3′‐bipyrrolylidene]‐2,2′(1H,1′H)‐dione (TFBBPD), were synthesized and characterized. Each of these compounds contain the Pechmann dye derivative (E)‐[3,3′‐bipyrrolylidene]‐2,2′(1H,1′H)‐dione (BPD) as the electron‐accepting core, which is flanked by an electron‐donor moiety (i.e., thiophene) and other electron acceptors (i.e., 4‐fluorobenzene or 3,4,5‐trifluorobenzene). Organic field‐effect transistor (OFET) results of FBBPD show ambipolar properties with electron (μemax) and hole mobilities (μhmax) up to 0.20 and 0.023 cm2 V−1 s−1, respectively. In comparison, the electron and hole mobilities of the OFET based on TFBBPD, which contains a more electron‐accepting moiety, are higher (μemax=0.58 cm2 V−1 s−1 and μhmax=0.054 cm2 V−1 s−1). X‐ray diffraction and atomic force microscopy studies were carried out to investigate the variations in the mobilities. Overall, these studies show the potential of BPD in hybrid D‐A molecules to act as the electron‐acceptor moiety in organic semiconducting studies.
SNOT‐22–based clusters in chronic rhinosinusitis without nasal polyposis exhibit distinct endotypic and prognostic differences
Authors: Lal Devyani , Hopkins Claire , Divekar Rohit D. 
Published: February 2018

BackgroundEndotypic and prognosticating features of chronic rhinosinusitis without nasal polyposis (CRSsNP) are poorly understood. Our objectives were to use an unbiased symptom‐based approach to: (1) study symptoms, clinical and endotypic features; and (2) identify features predicating outcomes from endoscopic sinus surgery (ESS).MethodsClinical, computed tomography (CT), histopathology, and 22‐item Sino‐Nasal Outcome Test (SNOT‐22) data was collected on 146 adult CRSsNP patients who underwent ESS. Unsupervised network modeling of presurgical SNOT‐22 scores was performed to classify symptom‐based clusters. Subject characteristics and post‐ESS SNOT‐22 scores were compared between clusters.ResultsBaseline characteristics of the subject population were as follows: females, 56.2%; revision ESS status in 35%; asthma prevalence, 32.6%; median Lund‐Mackay CT score, 8; and median SNOT‐22 total score, 43. Network mapping and unsupervised clustering of preoperative SNOT‐22 scores revealed 4 clusters: (A) severely burdened with high scores in all 4 subdomains; (B) moderately burdened with high scores in the rhinologic subdomain; (C) moderately burdened with high scores in psychological‐sleep subdomains; and (D) mildly burdened. The number of previous ESS and asthma prevalence differed significantly between clusters; CT scores were similar. Asthma burden and tissue eosinophilia were greatest in cluster A (p = 0.03). All groups showed significant improvement at 3 months post‐ESS (p < 0.0001). At 6 months, patients in cluster C tended to worsen.ConclusionSNOT‐22–based network modeling of CRSsNP patients yielded 4 clusters with distinct features. Asthma prevalence and tissue eosinophilia were highest in the cluster with highest SNOT‐22 scores. All patients showed significant improvement from ESS at 3 months; those with high sleep‐psychosocial symptoms tended to show worsening at 6 months.
Reversible Wasserstoffaktivierung durch einen Pyridonat‐Boran‐Komplex: Ein Zusammenspiel von frustrierter Lewis‐Paar‐Reaktivität und Bor‐Liganden‐Kooperation
Authors: Gellrich Urs 
Published: February 2018

AbstractEin Pyridon‐Boran‐Komplex, der unter milden Bedingungen Wasserstoff abspaltet, wird beschrieben. Die umgekehrte Reaktion, Wasserstoffaktivierung durch den gebildeten Pyridonat‐Boran‐Komplex, wird unter moderatem H2‐Druck (2 bar) und bei Raumtemperatur beobachtet. DFT‐ und DLPNO‐CCSD(T)‐Rechnungen zeigen, dass es sich bei der aktiven Form des Pyridonat‐Boran‐Komplexes um ein Boroxypyridin handelt, das als frustriertes Lewis‐Paar betrachtet werden kann. Bemerkenswert ist die Umwandlung des Boroxypyridins zu einem neutralen Pyridonliganden im Zuge der H2‐Aktivierung. In Analogie zum Konzept der Metall‐Liganden‐Kooperation kann diese neuartige Funktionsweise als Bor‐Liganden‐Kooperation beschrieben werden.
A Manganese Nanosheet: New Cluster Topology and Catalysis
Authors: Chakraborty Uttam , Reyes‐Rodriguez Efrain , Demeshko Serhiy , Meyer Franc , Jacobi von Wangelin Axel 
Published: February 2018

AbstractWhile the coordination chemistry of monometallic complexes and the surface characteristics of larger metal particles are well understood, preparations of molecular metallic nanoclusters remain a great challenge. Discrete planar metal clusters constitute nanoscale snapshots of cluster growth but are especially rare owing to the strong preference for three‐dimensional structures and rapid aggregation or decomposition. A simple ligand‐exchange procedure has led to the formation of a novel heteroleptic Mn6 nanocluster that crystallized in an unprecedented flat‐chair topology and exhibited unique magnetic and catalytic properties. Magnetic susceptibility studies documented strong electronic communication between the manganese ions. Reductive activation of the molecular Mn6 cluster enabled catalytic hydrogenations of alkenes, alkynes, and imines.
Reversible Hydrogen Activation by a Pyridonate Borane Complex: Combining Frustrated Lewis Pair Reactivity with Boron‐Ligand Cooperation
Authors: Gellrich Urs 
Published: February 2018

AbstractA pyridone borane complex that liberates dihydrogen under mild conditions is described. The reverse reaction, dihydrogen activation by the formed pyridonate borane complex, is achieved under moderate H2 pressure (2 bar) at room temperature. DFT and DLPNO‐CCSD(T) computations reveal that the active form of the pyridonate borane complex is a boroxypyridine that can be described as a single component frustrated Lewis pair (FLP). Significantly, the boroxypyridine undergoes a chemical transformation to a neutral pyridone donor ligand in the course of the hydrogen activation. This unprecedented mode of action may thus, in analogy to metal‐ligand cooperation, be regarded as an example of boron‐ligand cooperation.
Fly ash supported photocatalytic nanocomposite poly(3,4‐ethylenedioxythiophene)/TiO2 for azo dye removal under simulated solar irradiation
Authors: Katančić Zvonimir , Gavran Iva , Smolković Josipa , Hrnjak‐Murgić Zlata 
Published: February 2018

ABSTRACTThe main objective of this study was to develop a supported photocatalyst for wastewater treatment with extended efficiency under solar light. For that purpose titanium dioxide (TiO2) was immobilized by sol–gel synthesis on the surface of the waste fly ash (FA). On such prepared composite material, conductive polymer poly(3,4‐ethylenedioxythiophene) was grafted by in situ chemical oxidative polymerization with different oxidants, ammonium persulfate (APS), and iron(III) chloride, FeCl3. Characterization was performed by Fourier transform infrared spectroscopy, scanning electron microscopy, X‐ray diffraction, thermogravimetric analysis, and gas sorption analysis. Photocatalytic activity of composite photocatalyst was evaluated by testing removal efficiency of C.I. Reactive Red 45 (RR45) azo dye in three consecutive photocatalytic cycles under different pH. Discoloration of RR45 was measured using UV/Vis spectroscopy. It was determined that oxidant type plays major role in structure of composite as sample synthesized with APS had higher fraction of polymer and largest pore volume. The same composite had much better photocatalytic efficiency than sample synthesized with FeCl3 oxidant. It was also determined that there is a very strong adsorption of dye molecules on the surface of photocatalyst that quickly causes saturation of photocatalyst and efficiency drop after first cycle. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46316.
Institutional pressure, knowledge acquisition and a firm's environmental innovation
Authors: Liao Zhongju 
Published: February 2018

AbstractBased on institution theory, resource‐based theory and innovation theory, this study proposes a framework to investigate how institutional pressure affects environmental innovation through the mediating role of knowledge acquisition. In total, 263 firms in the Chinese manufacturing industry were selected as the research sample, and a structural equation model was used to examine the mediating role of knowledge acquisition between regulative pressure, normative pressure, cognitive pressure and the firm's environmental innovation. The results showed that regulative pressure and normative pressure had positive effects on the firm's environmental innovation, whereas the effect of cognitive pressure was not significant. In addition, knowledge acquisition positively promoted environmental innovation, and played a mediating role between regulative pressure, normative pressure and environmental innovation. Finally, this paper provides suggestions for government policy‐makers and managers to promote environmental innovation.
Ionic Conductivity of Ruddlesden‐Popper Layered Perovskites (Li2SrTa2O7, Li2SrNb2O7, and Li2CaTa2O7) with Poly (ethylene oxide) as a Composite Solid Electrolyte
Authors: Ramakrishnan Prakash , Kwak Hunho , Cho Yoon‐Ho , Kim Jae Hyun 
Published: February 2018

AbstractWe report the ionic conductivity studies of three different Ruddlesden‐Popper layered perovskite (RP‐LP) materials (Li2SrTa2O7, Li2SrNb2O7, and Li2CaTa2O7) in composites with poly (ethylene oxide) (PEO). For the first time, the lithium‐ion conduction pathway in the RP‐LP materials, of n=2 in AnA′BnO3n+1 general crystal structure, have been studied by using bond valence sum mapping. The results show a two‐dimensional lithium‐ion pathway. The temperature dependence of the conductivity is modelled by using a Vogel−Tamman−Fulcher (VTF)‐type relationship for PEO RP‐LP and pure PEO samples. The PEO RP‐LP composites deliver ionic conductivities in the range of 3.32 to 4.09×10−06 σ cm−2 at 80 °C, and their corresponding activation energies range from 6.37 to 7.01 kJ mol−1 at the calculated temperature slope range of 50 to 80 °C. They also deliver appreciable lithium transference numbers in the range of 0.20 to 0.58 at 30 °C and an excellent wide potential window stability of 4 V.
A Moisture‐Stable 3D Microporous CoII‐Metal–Organic Framework with Potential for Highly Selective CO2 Separation under Ambient Conditions
Authors: Chand Santanu , Pal Arun , Das Madhab C. 
Published: February 2018

AbstractSelective adsorption and separation of CO2 from flue gas and landfill gas mixtures have drawn great attention in industry. Porous MOF materials are promising alternatives to achieve such separations; however, the stability in the presence of moisture must be taken into consideration. Herein, we have constructed a microporous metal–organic framework (MOF) {[Co(OBA)(L)0.5]⋅S}n (IITKGP‐8), by employing a V‐shaped organic linker with an azo‐functionalized N,N′ spacer forming a 3D network with mab topology and 1D rhombus‐shaped channels along the crystallographic ‘b’ axis with a void volume of 34.2 %. The activated MOF reveals a moderate CO2 uptake capacity of 55.4 and 26.5 cm3 g−1 at 273 and 295 K/1 bar, respectively, whereas it takes up a significantly lower amount of CH4 and N2 under similar conditions and thus exhibits its potential for highly selective sorption of CO2 with excellent IAST selectivity of CO2/N2 (106 at 273 K and 43.7 at 295 K) and CO2/CH4 (17.7 at 273 K and 17.1 at 295 K) under 1 bar. More importantly, this MOF exhibits excellent moisture stability as assessed through PXRD experiments coupled with surface area analysis.
Coating of Gas‐Borne Nanoparticles with SiO2 in a Plasma‐Assisted CVD Process at Ambient Conditions
Authors: Post Patrick , Weber Alfred P. 
Published: February 2018

AbstractEin plasma‐unterstützer Aerosolprozess wird vorgestellt, der die kontinuierliche Beschichtung von Partikeln mit Siliziumoxid bei Umgebungstemperatur ermöglicht. Dabei wird eine dielektrische Barriere‐Entladung genutzt, um verschiedene reaktive Spezies zu erzeugen. Tetraethylorthosilikat dient als Precursor. Da der Prozess bei Umgebungstemperatur erfolgt, können auch temperaturempfindliche Stoffe beschichtet werden. Ein weiterer Vorteil ist die weitgehende Unabhängigkeit des Prozesses von der Partikelquelle. Die erfolgreiche Beschichtung wird auf unterschiedlichen Partikelgeometrien und ‐materialien, wie Metallen, Salzen und Kunststoffen demonstriert und die Abhängigkeit der Schichtdicke von der Partikeloberfläche gezeigt. Zudem wird die im Prozess auftretende Änderung der Partikelanzahlkonzentration, die im Wesentlichen durch Agglomeration verursacht wird, diskutiert.