bluuebunny/crossref_metadata_2025_split huggingface dataset:
Area‐Level Predictors of Medication Nonadherence Among US Medicaid Beneficiaries With Lupus: A Multilevel Study
Authors: Feldman Candace H. , Costenbader Karen H. , Solomon Daniel H. , Subramanian S. V. , Kawachi Ichiro 
Published: July 2018

ObjectiveAdherence to hydroxychloroquine (HCQ) treatment in patients with systemic lupus erythematous (SLE) is suboptimal. Although individual‐level factors, including younger age and non‐white race/ethnicity, have been implicated, contextual factors have not been explored. The aim of this study was to investigate the effect of contextual factors, including racial composition, socioeconomic status, and the concentration of health care resources, on adherence to HCQ among SLE patients enrolled in Medicaid.MethodsWe identified SLE patients from 28 states in the US who enrolled in Medicaid (2000–2010) and in whom HCQ treatment was newly initiated (no use for ≥6 months). We required 12 months of continuous enrollment with complete drug dispensing data and measured adherence using the proportion of days covered (PDC). We identified individual‐level variables from Medicaid, zip code–level, county‐level and state‐level sociodemographic variables from the American Community Survey, and health resources from Area Health Resources Files. We used 4‐level hierarchical multivariable logistic regression models to examine the odds ratios (ORs) and 95% credible intervals (95% CrIs) of adherence (PDC ≥80%) versus nonadherence.ResultsAmong 10,268 patients with SLE in whom HCQ treatment was initiated, 15% were adherent to treatment. After we adjusted for individual‐level characteristics, we observed lower odds of adherence among patients living in zip code areas with a higher percentage of black individuals (highest tertile OR 0.81 [95% CrI 0.69–0.96] versus lowest tertile). This association persisted after controlling for area‐level educational attainment, percent below federal poverty level (FPL), urbanicity, and health care resources. We did not observe statistically significant associations with zip code–level percent Hispanic, percent white, education, or percent below FPL. The odds of adherence were higher in counties with more hospitals (OR 1.30 [95% CrI 1.07–1.58]).ConclusionAmong Medicaid beneficiaries with SLE, we observed significant effects of racial composition and hospital concentration on HCQ adherence. Interventions that acknowledge and address contextual factors should be considered in order to reduce high rates of nonadherence in vulnerable populations.
Heritability and genetic integration of anterior tooth crown variants in the South Carolina Gullah
Authors: Stojanowski Christopher M. , Paul Kathleen S. , Seidel Andrew C. , Duncan William N. , Guatelli‐Steinberg Debbie 
Published: July 2018

AbstractObjectivesThis article presents estimates of narrow‐sense heritability and bivariate genetic correlation for a series of morphological crown variants of the anterior dentition. These results provide insight into the value of dental phenotypes as evolutionary proxies, as well as the development of tooth crowns as integrated or modular structures.Materials and MethodsAfrican American dental casts from the Menegaz‐Bock collection were scored for a standard set of dental morphological variables using the Arizona State Dental Anthropology System. Estimates of narrow‐sense heritability and genetic correlations were generated using SOLAR v. 8.1.1, controlling for the covariates of age, sex, and birth year. Analyses were run using ordinal/continuous scale variables that were then dichotomized at various breakpoints, consistent with standard practices in dental anthropology.ResultsHeritability estimates were low to moderate for most traits, and lower in magnitude than those reported for odontometric data from the same study sample. Only winging, canine shoveling, and canine double shoveling returned narrow‐sense heritabilities that did not differ significantly from zero. Genetic correlations were high among antimeres and metameres and low for different traits scored on the same tooth crown. These results affirm standard data cleaning practices in dental biodistance. Double shoveling was atypical in returning strong negative correlations with other traits, shoveling in particular.ConclusionsAdditive genetic variation contributes to dental morphological variation, although the estimates are uniformly lower than those observed for odontometrics. Patterns of genetic correlation affirm most standard practices in dental biodistance. Patterns of negative pleiotropy involving lingual and labial crown features suggest a genetic architecture and developmental complex that differentially constrain morphological variation of distinct surfaces of the same tooth crown. These patterns warrant greater consideration and cross‐population validation.
N‐Heterocyclic Carbene Iron(III) Porphyrin‐Catalyzed Intramolecular C(sp3)–H Amination of Alkyl Azides
Authors: Shing Ka‐Pan , Liu Yungen , Cao Bei , Chang Xiao‐Yong , You Tingjie , Che Chi‐Ming 
Published: July 2018

AbstractMetal‐catalyzed intramolecular C−H amination of alkyl azides constitutes an appealing approach to alicyclic amines; challenges remain in broadening substrate scope, enhancing regioselectivity, and applying the method to natural product synthesis. Herein we report an iron(III) porphyrin bearing axial N‐heterocyclic carbene ligands which catalyzes the intramolecular C(sp3)–H amination of a wide variety of alkyl azides under microwave‐assisted and thermal conditions, resulting in selective amination of tertiary, benzylic, allylic, secondary, and primary C−H bonds with up to 95 % yield. 14 out of 17 substrates were cyclized selectively at C4 to give pyrrolidines. The regioselectivity at C4 or C5 could be tuned by modifying the reactivity of the C5–H bond. Mechanistic studies revealed a concerted or a fast re‐bound mechanism for the amination reaction. The reaction has been applied to the syntheses of tropane, nicotine, cis‐octahydroindole, and leelamine derivatives.
Degradability comparison of poly(butylene adipate terephthalate) and its composites filled with starch and calcium carbonate in different aquatic environments
Authors: Wang X.‐W. , Wang G.‐X. , Huang D. , Lu B. , Zhen Z.‐C. , Ding Y. , Ren Z.‐L. , Wang P.‐L. , Zhang W. , Ji J.‐H. 
Published: July 2018

ABSTRACTWe investigated the degradation behavior of biodegradable poly(butylene adipate terephthalate) (PBAT) and its composites containing starch (PBAT–starch) and calcium carbonate (PBAT–CaCO3). The test splines were immersed in six different water bodies with various microbial compositions and salt concentrations for a 56 week period to obtain consistent experimental data. The results show that the pure PBAT degraded very slowly in the six water bodies, with a maximum weight loss of only 4.7% over the 56 week study period. Strips of the PBAT–starch composite showed a significantly accelerated biodegradation in microbe‐containing water; the degree of degradation depended largely on the type and abundance of microorganisms in the water bodies. Conversely, compared with the pure PBAT strips, PBAT–CaCO3 showed less degradation in the various water bodies. A comparison of degradability between the strips immersed in sterilized distilled water and sterilized seawater indicated that inorganic salts did not significantly affect the degradation of PBAT. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46916.
Partially Oxidized Palladium Nanodots for Enhanced Electrocatalytic Carbon Dioxide Reduction
Authors: Lu Hui , Zhang Le , Zhong Ju Hua , Yang Hua Gui 
Published: July 2018

AbstractHere we report a partially oxidized palladium nanodot (Pd/PdOx) catalyst with a diameter of around 4.5 nm. In aqueous CO2‐saturated 0.5 m KHCO3, the catalyst displays a Faradaic efficiency (FE) of 90 % at −0.55 V vs. reversible hydrogen electrode (RHE) for carbon monoxide (CO) production, and the activity can be retained for at least 24 h. The improved catalytic activity can be attributed to the strong adsorption of CO2.− intermediate on the Pd/PdOx electrode, wherein the presence of Pd2+ during the electroreduction reaction of CO2 may play an important role in accelerating the carbon dioxide reduction reaction (CO2RR). This study explores the catalytic mechanism of a partially oxidized nanostructured Pd electrocatalyst and provides new opportunities for improving the CO2RR performance of metal systems.
Polar Ultrathin Self‐Doping Carbon Nitride Nanosheets with Intrinsic Polysulfide Adsorption for High Performance Lithium‐Sulfur Batteries
Authors: Gong Yi , Fu Chaopeng , Dong Anping , Zhou Haihui , Li Huanxin , Kuang Yafei 
Published: July 2018

AbstractLithium‐sulfur (Li−S) batteries are promising for next‐generation electrochemical energy storage due to their high energy density and low cost. Here, we introduce light‐weight polar carbon self‐doping C3N4 nanosheets (C−CNN) as sulfur host for the fabrication of high performance Li−S batteries. The role of carbon doping in boosting the electrical conductivity of C−CNN is revealed by electrochemical impedance spectroscopy and electrical conductivity measurements. The strong chemical interactions between C−CNN and polysulfides are investigated by adsorption and post‐mortem X‐ray photoelectron spectroscopy analysis. Benefiting from the high surface area, enhanced electrical conductivity and high content of active N species (56.7 at %) in C−CNN, the strong chemical interactions between C−CNN and polysulfides can be fully exploited to minimize the shuttle effect and achieve long cycle life of Li−S batteries. As a result, the C−CNN/S cathode delivers a high specific capacity of 1050 mAh g−1, good rate capability and excellent cycling stability with a low capacity decay of 0.07 % per cycle at 1 C over 500 cycles, showing better performance than nitrogen‐doped graphene. A performance comparison with the literature also shows that C−CNN is one of the most promising nitrogen‐containing carbon materials for long cycle life Li−S batteries.
NiII Complex Formation and Protonation States at the Active Site of a Nickel Superoxide Dismutase‐Derived Metallopeptide: Implications for the Mechanism of Superoxide Degradation
Authors: Tietze Daniel , Koley Seth Banabithi , Brauser Matthias , Tietze Alesia A. , Buntkowsky Gerd 
Published: July 2018

AbstractA small, catalytically active metallopeptide (Nim6SOD, m6SOD=ACDLAC), which was derived from the nickel superoxide dismutase (NiSOD) active site was employed to study the mechanism of superoxide degradation, especially focusing on the protonation states of the NiII donor atoms, the proton source, and the role of the N‐terminal proton(s). Therefore, the NiII‐metallopeptide was studied at various pHs and temperatures using UV/Vis and NMR spectroscopy. These studies indicate a strong reduction of the pKa of the NiII‐ligating donor atoms, resulting in a fully deprotonated NiII active‐site environment. Furthermore, no titratable proton could be observed within a pH ranging from 6.5 to 10.5. This rules out a recently discussed adiabatic proton tunneling‐like hydrogen‐atom transfer process for the metallopeptides, not found in the native enzyme. Furthermore, variable‐temperature 1H NMR measurements uncovered an extended hydrogen‐bond network within the NiII active site of the metallopeptide similar to the enzyme. With respect to the deprotonated NiII active site, the residual N‐terminal proton, which is a prerequisite for catalytic activity, cannot act as proton source. Most likely, it stabilizes the NiII‐coordinated substrate in an end‐on fashion, thus allowing for an inner‐sphere electron transfer. Lastly, and unlike the enzyme, the catalytic rate constant of superoxide degradation by the metallopeptides was determined to be strongly pH dependent, suggesting bulk water to be directly involved in proton donation, which in turn strongly suggests the N‐terminal histidine to be the respective proton donor in the enzyme.
Chelate Silylene–Silyl Ligand Can Boost Rhodium‐Catalyzed C−H Bond Functionalization Reactions
Authors: Mo Zhenbo , Kostenko Arseni , Zhou Yu‐Peng , Yao Shenglai , Driess Matthias 
Published: July 2018

AbstractThe first N‐heterocyclic silylene (NHSi)–silane scaffold LSi−R−Si(H)Mes2 (1) (L=PhC(NtBu)2; R=1,12‐xanthendiyl spacer; Mes=2,4,6‐Me3C6H2) was synthesized and used to form the unique rhodium(III) complex (LSi−R−SiMes2)Rh(H)Cl 2 through its reaction with 0.5 molar equivalents of [Rh(coe)2Cl]2 (coe=cyclooctene). An X‐ray diffraction analysis revealed that 2 has a (SiIISiIV)Rh(H)Cl core with three short Rh⋅⋅⋅H−C contacts with Me groups of the ligand 1, which cause a distorted pentagonal bipyramidal coordination of the Rh center. Unexpectedly, the reaction of 2 with tBuONa gives the new bis(silyl)hydridorhodium(III) complex 4. Due to the strong donor ability of the chelate SiII–SiIV ligand, 2 and 4 can act as highly efficient pre‐catalysts in the Rh‐mediated selective C−H functionalization of 2‐phenylpyridines with C−C unsaturated organic substrates under mild reaction conditions.
Hypervalent Hydrosilicates Connected to Light Alkali Metal Amides: Synthesis, Structure, and Hydrosilylation Catalysis
Authors: Schuhknecht Danny , Leich Valeri , Spaniol Thomas P. , Okuda Jun 
Published: July 2018

AbstractWhen light alkali metal amides [M(Me3TACD)]n (M=Li, Na, K; (Me3TACD)H=1,4,7‐trimethyl‐1,4,7,10‐tetraazacyclododecane) were treated with H2SiPh2 in THF, [M{(H2SiPh2)Me3TACD}(thf)x] containing a pendant hypervalent dihydridosilicate were formed and characterized by elemental analysis, NMR/IR spectroscopy, and single‐crystal X‐ray crystallography. The lithium complex catalyzed the hydrosilylation of styrene derivatives under mild conditions with anti‐Markovnikov regioselectivity.
Combining data from multiple sources to study mechanisms of aneurysm disease: Tools and techniques
Authors: Cebral Juan R. , Mut Fernando , Gade Piyusha , Cheng Fangzhou , Tobe Yasutaka , Frosen Juhana , Robertson Anne M. 
Published: July 2018

AbstractIntroductionConnecting local hemodynamics, biomechanics, and tissue properties in cerebral aneurysms is important for understanding the processes of wall degeneration and subsequent aneurysm progression and rupture. This challenging problem requires integration of data from multiple sources.MethodsThis paper describes the tools and techniques developed to integrate data from multiple sources, including clinical information, 3D imaging, intraoperative videos, ex vivo micro–computed tomography (CT), and multiphoton microscopy. Central to this approach is a 3D tissue model constructed from micro‐CT images of aneurysm samples resected during neurosurgery. This model is aligned to vascular models constructed from 3D clinical images and is used to map and compare flow, biomechanics, and tissue data.ResultsThe approach is illustrated with data of three human intracranial aneurysms. These case studies demonstrated the ability of this approach to study relationships between different factors affecting the aneurysm wall and produced provocative observations that will be further studied with larger series. For instance, “atherosclerotic” and “hyperplastic” looking parts of the aneurysm corresponded to thicker walls and occurred in regions of recirculating flow and low wall shear stress (WSS); thin regions were associated with inflow jets, flow impingement, and high WSS; blebs had walls of varying structures, including calcified, thin, or hyperplastic walls.ConclusionsThe current approach enables the study of interactions of multiple factors thought to be responsible for the progressive degradation and weakening of the aneurysm wall during its evolution.
Flexibility at the Fringes: Conformations of the Steroid Hormone β‐Estradiol
Authors: Zinn Sabrina , Schnell Melanie 
Published: July 2018

AbstractWe present the accurate experimental structure of the steroid hormone β‐estradiol obtained with high‐resolution rotational spectroscopy under the solvent free, isolated, and cold conditions of a molecular jet. This is the first time that the rotational signature of a steroid hormone is reported. β‐Estradiol is a primary female sex hormone and features a rigid steroidal ring system. Three conformers could be identified in the cold environment of a supersonic molecular jet, which only differ in the orientation of the two hydroxy groups attached to the steroidal backbone. The conformers are almost isoenergetic and have very similar rotational constants but still could be clearly resolved and assigned. The high sensitivity of the technique allowed us to record and identify all singly substituted 13C isotopologues in natural abundance for the dominant conformer. The additional spectroscopic constants led to an accurate determination of its experimental molecular structure. Along with a previous comparison of β‐estradiol structures in the solid state and the liquid phase, this study completes the investigations in all three main phases by providing the interaction free gas‐phase structure.
Hindcasting the impacts of land‐use changes on bird communities with species distribution models of Bird Atlas data
Authors: Regos Adrián , Imbeau Louis , Desrochers Mélanie , Leduc Alain , Robert Michel , Jobin Benoît , Brotons Lluís , Drapeau Pierre 
Published: July 2018

AbstractHabitat loss and degradation induced by human development are among the major threats to biodiversity worldwide. In this study, we tested our ability to predict the response of bird communities (128 species) to land‐use changes in southern Quebec (~483,100 km2) over the last 30 yr (between 1984–1989 and 2010–2014) by using species distribution models (299,302 occurrences in 30,408 locations) from a hindcasting perspective. Results were grouped by functional guilds to infer potential impacts on ecosystem services, and to relate model transferability (i.e., ability of our models to be generalized to other times and scales) to specific functional and life‐history traits. Overall, our models were able to accurately predict, both in space and time, habitat suitability for 69% of species, especially for granivorous, nonmigrant, tree‐nesting species, and species that are tied to agricultural areas under intensive use. These findings indicate that model transferability depends upon specific functional and life‐history traits, providing further evidence that species’ ecologies affect the ability of models to accurately predict bird distributions. Declining bird species were mostly short‐distance migrants that were associated with open habitats (agricultural and nonproductive forest) with aerial insectivorous or granivorous diets, which may be related to agricultural intensification and land abandonment. Land‐use changes were positive for some forest bird species that were mainly associated with mixed and deciduous forests, generalist diets and tree‐nesting strategies. Yet cavity‐nesting birds have suffered substantial reductions in their distributions, suggesting that cumulative effects of intensive logging and wildfires on mature forests pose a threat for forest‐specialist species. Habitat suitability changes predicted by our coarse‐scale species distribution models partially agreed with the long‐term trends reported by the North American Breeding Bird Survey. Our findings confirm land‐use change as a key driving force for shaping bird communities in southern Quebec, together with the need to explicitly incorporate it into global change scenarios that better inform decision‐makers on conservation and management.
Trade‐offs between temporal stability and level of forest ecosystem services provisioning under climate change
Authors: Albrich Katharina , Rammer Werner , Thom Dominik , Seidl Rupert 
Published: July 2018

AbstractThe ability of forests to continuously provide ecosystem services (ES) is threatened by rapid changes in climate and disturbance regimes. Consequently, these changes present a considerable challenge for forest managers. Management of forests often focuses on maximizing the level of ES provisioning over extended time frames (i.e., rotation periods of more than 100 yr). However, temporal stability is also crucial for many ES, for example, in the context of a steady provisioning of resources to the industry, or the protection of human infrastructure against natural hazards. How temporal stability and the level of ES provisioning are related is of increasing interest, particularly since changing climate and disturbance regimes amplify temporal variability in forest ecosystems. In this simulation study, we investigated whether forest management can simultaneously achieve high levels and temporal stability of ES provisioning. Specifically, we quantified (1) trade‐offs between ES stability and level of ES provisioning, and (2) the effect of tree species diversity on ES stability. Simulating a wide range of future climate scenarios and management strategies, we found a negative relationship between temporal stability and level of ES provisioning for timber production, carbon cycling, and site protection in a landscape in the Austrian Alps. Tree species diversity had a predominantly positive effect on ES stability. We conclude that attempts to maximize the level of ES provisioning may increase its temporal variability, and thus threaten the continuity of ES supply. Consequently, considerations of stability need to be more explicitly included in forest management planning under increasingly variable future conditions.
Sixty years of community change in the prairie–savanna–forest mosaic of Wisconsin
Authors: Ladwig Laura M. , Damschen Ellen I. , Rogers David A. 
Published: July 2018

AbstractBiodiversity loss is a global concern, and maintaining habitat complexity in naturally patchy landscapes can help retain regional diversity. A mosaic of prairie, savanna, and forest historically occurred across central North America but currently is highly fragmented due to human land conversion. It is unclear how each habitat type now contributes to regional diversity. Using legacy data, we resurveyed savanna plant communities originally surveyed in the 1950s to compare change in savannas to that in remnant forests and prairies. Savanna community structure and composition changed substantially over the past 60 years. Tree canopy density nearly doubled and many prairie and savanna specialist species were replaced by forest and non‐native species. All three habitats gained and lost many species since the 1950s, resulting in large changes in community composition from local colonizations and extinctions. Across all three habitats, regional species extinctions matched that of regional colonization resulting in no net change in regional species richness. Synthesis—Despite considerable species turnover within savannas, many species remain within the broader prairie–savanna–forest mosaic. Both regional extinctions and colonizations were high over the past 60 years, and maintaining the presence of all three community types—prairie, savanna and forest—on the landscape is critical to maintaining regional biodiversity.
Study on the ramp fluctuation suppression control of wind power generation output using optimization method
Authors: Takayama Satoshi , Ishigame Atsushi 
Published: July 2018

AbstractRecently, wind power generation are installed as a countermeasure for the environmental issue in Japan. However, wind power generation output is fluctuated due to wind condition. Moreover, it is some negative impact for system operation such as the economic load dispatching control and the load frequency control. In Japan, NEDO has started the project as a countermeasure for massive penetration of wind power generation in 2014, called “R&D Project on Grid Integration of Variable Renewable Energy.” In this paper, we proposed the output fluctuation suppression control method of wind power generation using the battery and forecast data of wind generation output. Specifically, the target value of wind power generation output is calculated to decrease the deviation output from fluctuation suppression code for ramp event using deterministic optimization method. The effectiveness of proposed method is evaluated through the computational simulation using forecast data and actual wind power generation output in Tohoku area.