bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular and Heterogenized Cp*Ir Water Oxidation Catalysts Bearing Glyphosate and Glyphosine as Ancillary and Anchoring Ligands
Authors: Domestici Chiara , Tensi Leonardo , Boccalon Elisa , Zaccaria Francesco , Costantino Ferdinando , Zuccaccia Cristiano , Macchioni Alceo 
Published: December 2020

AbstractTwo hybrid materials (1_TiO2 and 2_TiO2) were designed and prepared by anchoring novel [Cp*Ir(κ3‐O,N,O‐glyphosate)] (1; glyphosate=N‐(phosphonomethyl)glycine) and [Cp*Ir(κ3‐O,N,O‐glyphosine)] (2; glyphosine=N,N‐bis(phosphonomethyl)glycine) complexes onto rutile TiO2. Characterization in solution (NMR spectroscopy) and solid state (X‐Ray diffractometry) indicates that 1 and 2 are stabilized by the two arms of the glycine fragment, whereas they have (2) or can easily generate (1 and 2) a dandling phosphonate arm suitable for their anchoring on TiO2. As a matter of fact, they exhibit rather elongated Ir–OP (1: 2.1405 Å, 2: 2.142 Å) and short Ir–OC (1: 2.0784 Å, 2: 2.086 Å) and Ir–N (1: 2.155 Å, 2: 2.207 Å) bonds. NMR spectra of 2 show a dynamic process that exchanges the two phosphonate moieties, consistently with an easy –OP detachment from Ir. Both molecular and heterogenized species were tested as catalysts in water oxidation (WO) driven by NaIO4. 1 (TOF up to 96 min−1) and 2 (26 min−1) proved to be effective molecular catalysts; more importantly, 1_TiO2 and 2_TiO2 showed very high activity (TOF ∼200 min−1), which remained rather constant over seven successive runs, even if substantial leaching of the noble metal in solution occurred during the first catalytic tests. TON was very high and limited only by the amount of NaIO4 used. These results show the potentialities of mixed carboxylate/phosphonate ligands for the development of highly active water oxidation catalysts.
An Insight into Non‐Covalent Interactions on the Bicyclo[1.1.1]pentane Scaffold
Authors: Grover Nitika , Flanagan Keith J. , Trujillo Cristina , Kingsbury Christopher J. , Senge Mathias O. 
Published: December 2020

AbstractBicyclo[1.1.1]pentane (BCP) is studied extensively as a bioisosteric component of drugs. Not found in nature, this molecular unit approximates the distance of apara‐disubstituted benzene which is replaced in medicines as a method of improving treatments. Predicting interactions of these drugs with specific active sites requires knowledge of the non‐covalent interactions engaged by this subunit. Structure determinations and computational analysis (Hirshfeld analysis, 2D fingerprint plots, DFT) of seven BCP derivatives chosen to probe specific and directional interactions. X‐ray analysis revealed the presence of various non‐covalent interactions including I ⋅⋅⋅ I, I ⋅⋅⋅ N, N−H ⋅⋅⋅ O, C−H ⋅⋅⋅ O, and H−C ⋅⋅⋅ H−C contacts. The preference of halogen bonding (I ⋅⋅⋅ I or I ⋅⋅⋅ N) in BCP1–4strictly depends upon the electronic nature and angle between bridgehead substituents. The transannular distance in co‐crystals2and4was longer as compared to monomers1and3. Stronger N−H ⋅⋅⋅ O and weaker C−H ⋅⋅⋅ O contacts were observed for BCP5while the O ⋅⋅⋅ H interaction was a prominent contact for BCP6. The presence of 3D BCP units prevented the π ⋅⋅⋅ π stacking between phenyl rings in3,4, and7. The BCP skeleton was often rotationally averaged, indicating fewer interactions compared to bridgehead functional groups. Using DFT analysis, geometries were optimized and molecular electrostatic potentials were calculated on the BCP surfaces. These interaction profiles may be useful for designing BCP analogs of drugs.
Thermodynamic analysis of simple and modified organic Rankine cycle and vapor compression refrigeration (ORC–VCR) systems
Authors: Ashwni  , Sherwani Ahmad Faizan , Tiwari Deepak 
Published: December 2020

AbstractThis paper compares the thermodynamic performance of two ORC–VCR systems using the zeotropic mixture (Hexane/R245fa); one is a simple ORC–VCR system whereas the second one is a modified ORC–VCR system. Both ORC–VCR systems are different in terms of VCR sub‐cycle. The modified ORC–VCR system contains an additional flash tank, expansion valve, and compressor compared to the simple ORC–VCR system in the VCR sub‐cycle. The thermodynamic performance of the systems have been evaluated in terms of Cooling capacity (Qevap), Coefficient of performance of the system (COPs), exergetic efficiency (ηex), and cost function (UAtot) . Modified ORC–VCR system exhibits 23.4, 23.4, 29.00, and 41% enhancement in cooling capacity (Qevap), COPs, exergetic efficiency (ηex), and cost function (UAtot), respectively, compared to the simple system. Moreover, there is 4, 5, and 84.73% enhancement in Qevap at the mass fraction of 0.9, COPs at the mass fraction of 0.6, and ηex at the mass fraction of 0.5 for the modified ORC–VCR system with the use of the zeotropic mixture.
Treatment of refractory myasthenia gravis by double‐filtration plasmapheresis and rituximab: A case series of nine patients and literature review
Authors: Bennani Hamza N. , Lagrange Emmeline , Noble Johan , Malvezzi Paolo , Motte Lionel , Chevallier Eloi , Rostaing Lionel , Jouve Thomas 
Published: December 2020

AbstractIntroductionMyasthenia gravis (MG) is an autoimmune disease mediated by circulating autoantibodies (anti‐AchR, anti‐MuSK, etc.). More than 20% of myasthenic patients are refractory to conventional treatments (plasma exchange, IVIg, steroids, azathioprine, mycophenolate mofetil). Rituximab (B‐lymphocyte‐depleting anti‐CD20) and apheresis (double‐filtration plasmapheresis [DFPP] and immunoadsorption [IA]) are interesting therapeutic alternatives.MethodsThis monocentric pilot study included nine refractory myasthenic patients (March 2018 to May 2020) treated by DFPP and/or IA associated with rituximab (375 mg/m2). Clinical responses were assessed using the Myasthenia Gravis Foundation of America (MGFA) score.ResultsAverage age of patients was 53 ± 17 years. Gender ratio (M/F) was 3:6. The combination of apheresis and rituximab reduced median MGFA score from IV to II after 12 months of follow‐up. Clinical improvement assessed by MGFA score was sustained in the long‐term for all patients, during an average follow‐up of 14 ± 9 months, allowing them to be self‐sufficient and out sick‐leave. The median number of apheresis sessions was 7 (5‐30). The dose of prednisolone was reduced in two patients from 40 mg/d and 30 mg/d to 7.5 mg/d and 10 mg/d, respectively. It was stopped in a patient who was taking 30 mg/d. No infectious, bleeding, or thrombosis complications were noted.ConclusionThe combination of rituximab and DFPP was effective to treat refractory MG.
MnTE‐2‐PyP disrupts Staphylococcus aureus biofilms in a novel fracture model
Authors: Lindsay Sarah E. , Lindsay Hunter G. , Kallet Julia , Weaver Michael R. , Curran‐Everett Douglas , Crapo James D. , Regan Elizabeth A. 
Published: December 2020

AbstractBiofilm‐associated infections in orthopedic surgery lead to worse clinical outcomes and greater morbidity and mortality. The scope of the problem encompasses infected total joints, internally fixed fractures, and implanted devices. Diagnosis is difficult. Cultures are often negative, and antibiotic treatments are ineffective. The infections resist killing by the immune system and antibiotics. The organized matrix structure of extracellular polymeric substances within the biofilm shields and protects the bacteria from identification and immune cell action. Bacteria in biofilms actively modulate their redox environment and can enhance the matrix structure by creating an oxidizing environment. We postulated that a potent redox‐active metalloporphyrin MnTE‐2‐PyP (chemical name: manganese (II) meso‐tetrakis‐(N‐methylpyridinium‐2‐yl) porphyrin) that scavenges reactive species and modulates the redox state to a reduced state, would improve the effect of antibiotic treatment for a biofilm‐associated infection. An infected fracture model with a midshaft femoral osteotomy was created in C57B6 mice, internally fixed with an intramedullary 23‐gauge needle and seeded with a biofilm‐forming variant of Staphylococcus aureus. Animals were divided into three treatment groups: control, antibiotic alone, and combined antibioticplus MnTE‐2‐PyP. The combined treatment group had significantly decreased bacterial counts in harvested bone, compared with antibiotic alone. In vitro crystal violet assay of biofilm structure and corresponding nitroblue tetrazolium assay for reactive oxygen species (ROS) demonstrated that MnTE‐2‐PyP decreased the biofilm structure and reduced ROS in a correlated and dose‐dependent manner. The biofilm structure is redox‐sensitive in S. aureus and an ROS scavenger improved the effect of antibiotic therapy in model of biofilm‐associated infections.
Countergradient variation concealed adaptive responses to temperature increase in Daphnia from heated lakes
Authors: Dziuba Marcin Krzysztof , Kuczyński Lechosław , Wejnerowski Łukasz , Cerbin Slawek , Wolinska Justyna 
Published: December 2020

AbstractTo test the general assumption that global warming will induce body size reduction in aquatic organisms, we used a system of lakes continually heated for six decades by warm water discharge from power plants. Their temperature elevation of 3–4°C corresponds with climate change forecasts for the end of the 21st century. We compared body size and reproduction of Daphnia longispina complex communities inhabiting heated and non‐heated (control) lakes nearby. No difference in body size was found, but Daphnia communities from heated lakes had a wider thermal breadth for reproduction. The two lake groups varied in the taxonomic composition of Daphnia communities. Thus, to disentangle inter‐ and intraspecific sources of variation, and to examine evolution vs. phenotypic plasticity of investigated traits, we performed two life history experiments: (1) a between‐species experiment compared D. galeata inhabiting heated lakes with D. longispina typical of nearby control lakes, under three temperature regimes; (2) a within‐species experiment compared D. galeata from heated lakes with conspecifics from high latitude (cold control) and low latitude (warm control) lakes, under two temperature regimes. The experiments revealed countergradient variation: environmental constraints on body size in situ concealed evolution of larger potential body size in Daphnia from heated lakes. In turn, evolution of increased body size plasticity resulted in an efficient resource allocation trade‐off: more effective reproduction at high temperature, at the cost of size reduction. We suggest that large size is adaptive during active overwintering, while plastic size reduction is a coping strategy for high temperatures.
Synthesis design of wideband bandpass filter with narrow notch band
Authors: Chai Yong‐Qiang , Cheng Chong‐Hu , Mo Jin‐Rong , Shi Yan‐Feng , Hu Sheng‐Bo 
Published: December 2020

AbstractIn this article, a novel wideband bandpass filter (BPF) with narrow notch band is presented. It is composed of two sets of shunt microstrip‐to‐slotline vertical transitions, a coplanar waveguide (CPW) connecting line, and a meandering half‐wavelength slotline section. Utilizing the synthesis method based on the transmission line network, a four‐pole BPF with Chebyshev equal‐ripple frequency response is realized in the desired passband. The narrow notch band with 3‐dB fractional bandwidth (FBW) of 3% at the center frequency 2.75 GHz is introduced by an embedding meandering slotline stub. To verify the theoretical prediction, the proposed BPF is fabricated and measured. The circuit model and EM simulation are consistent with theoretical calculation and test results, which sufficiently confirm the correctness and feasibility of the design method.
Conservation planning in an uncertain climate: Identifying projects that remain valuable and feasible across future scenarios
Authors: Wineland Sean M. , Fovargue Rachel , Gill Ken C. , Rezapour Shabnam , Neeson Thomas M. 
Published: December 2020

Abstract

Conservation actors face the challenge of allocating limited resources despite uncertainty about future climate conditions. In many cases, the potential value and feasibility of proposed projects vary across climate scenarios. A key goal is to identify areas where conservation outcomes can balance both environmental and human needs.

We developed a conservation prioritization framework that jointly considers the value and feasibility of candidate projects across future climate scenarios. We then applied this framework to the challenge of meeting environmental flow targets across the Red River basin of the south‐central United States.

To estimate the conservation feasibility of meeting environmental flow goals in a river reach in each climate scenario, we used a basin‐wide hydrologic planning tool to quantify the reduction in societal water usage needed to meet environmental flow targets. To estimate the biodiversity value of each river reach in each climate scenario, we used climate‐driven species distribution models and species’ conservation status.

We found that river reaches in the east‐central portion of the basin may be good candidates for conservation investments, because they had high biodiversity value and high sociopolitical feasibility in all future climate scenarios. In contrast, sites in the arid western reaches of the basin had high biodiversity value, but low feasibility of achieving environmental flow goals.

Our framework should have broad applicability given that the value and feasibility of conservation projects vary across climate scenarios in ecosystems around the world. It may serve as a coarse filter to identify sites for more detailed analyses and could be integrated with complementarity‐based approaches to conservation planning to balance species’ representation across projects.

A free Plain Language Summary can be found within the Supporting Information of this article.
Identifying Information Gaps in Predicting Winter Foraging Habitat for Juvenile Gulf Sturgeon
Authors: Dale Leah L. , Patrick Cronin James , Brink Virginia L. , Tirpak Blair E. , Tirpak John M. , Pine William E. 
Published: December 2020

AbstractThe Gulf Sturgeon Acipenser oxyrinchus desotoi is an anadromous species that inhabits Gulf of Mexico coastal waters from Louisiana to Florida and is listed as threatened under the U.S. Endangered Species Act. Seasonal cues (e.g., freshwater discharge) determine the timing of spawning and migration and may influence the availability of critical habitat during winter months in six estuaries. Large information gaps, especially related to critical estuarine habitat for juveniles, hinder recovery efforts to protect these habitats and assess risks from emerging threats. Using Apalachicola Bay, Florida, as a model system, we developed and analyzed a preliminary Bayesian network model so that we could identify knowledge gaps (i.e., where expert knowledge was lacking) and data gaps (i.e., where data were unavailable) that limit the ability to assess the quantity of critical estuarine habitat for juvenile Gulf Sturgeon. The model hypothesized habitat availability per winter month in estuarine habitat under alternative scenarios of river discharge and length of the winter foraging season. A search for geospatial data sets revealed that the largest gap involved salinity, temperature, and oxygen (i.e., water condition) monitoring data, with data available only for Apalachicola Bay. For the Apalachicola Bay model, data gaps prevented the development of 53% of water condition geospatial data sets and a sensitivity analysis showed that water condition data most limited the ability to predict habitat availability. Expert knowledge was low, and conditional certainty scores showed that the relationships with the lowest certainty were abiotic suitability and habitat availability. Reducing information gaps could aid the development of a model that is appropriate for informing management. Future efforts could prioritize the expansion of water monitoring within critical habitat estuaries and predicting abiotic suitability and habitat availability. Bayesian network models can easily incorporate prior and new information for complex systems. Thus, our model could be updated as future research and monitoring efforts close these information gaps.
Monitoring Vocalizing Species by Engaging Community Volunteers Using Cell Phones
Authors: Platenberg Renata J. , Raymore Martha , Primack Avram , Troutman Kelcie 
Published: December 2020

ABSTRACTBiodiversity monitoring is important for species and habitat management, although it can be costly in terms of personnel time and expertise. Citizen Science projects that engage community participants to collect species distribution data can provide high volumes of data at little cost, but data are often associated with unknown observer error. Projects that remove decision‐making (e.g., species identification) allow for higher participation because expertise requirements are eliminated. We piloted a project using Citizen Science principles to solve logistical challenges for a synoptic amphibian survey across an island array in the United States Virgin Islands by inviting the community to collect recordings of frogs using cell phones. We received >270 recordings and location data from community participants during a 2‐week survey window; these were processed manually, using bioacoustics analysis software for species identification and location. Species detections were comparable to previous methods of survey although new distribution records were substantially increased. Utilizing Citizen Scientists to conduct recorded surveys of amphibians using cell phones offers a low‐cost method for expanding survey effort for predictably‐vocalizing species. © 2020 The Wildlife Society.
Fixing the non-relativistic expansion of the 1PM potential
Authors: Grignani Gianluca , Harmark Troels , Orselli Marta , Placidi Andrea 
Published: December 2020

Abstract
We obtain a first order post-Minkowskian two-body effective potential whose post-Newtonian expansion directly reproduces the Einstein-Infeld-Hoffmann potential. Post-Minkowskian potentials can be extracted from on-shell scattering amplitudes in a quantum field theory of scalar matter coupled to gravity. Previously, such potentials did not reproduce the Einstein-Infeld-Hoffmann potential without employing a suitable canonical transformation. In this work, we resolve this issue by obtaining a new expression for the first-order post-Minkowskian potential. This is accomplished by exploiting the reference frame dependence that arises in the scattering amplitude computation. Finally, as a check on our result, we demonstrate that our new potential gives the correct scattering angle.
Nuclear dimension of simple $$\mathrm {C}^*$$-algebras
Authors: Castillejos Jorge , Evington Samuel , Tikuisis Aaron , White Stuart , Winter Wilhelm 
Published: December 2020

AbstractWe compute the nuclear dimension of separable, simple, unital, nuclear,$${\mathcal {Z}}$$Z-stable$$\mathrm {C}^*$$C∗-algebras. This makes classification accessible from$${\mathcal {Z}}$$Z-stability and in particular brings large classes of$$\mathrm {C}^*$$C∗-algebras associated to free and minimal actions of amenable groups on finite dimensional spaces within the scope of the Elliott classification programme.
The Real Experience and Management Strategies Analysis of Chinese Nurses Aiding COVID-19 Epidemic: A Qualitative Study
Authors: Li Linbo , Hou Yongchao , Kang Fengying , Li Suping , Zhao Juan 
Published: December 2020

AbstractObjective:Emergent public health events, such as coronavirus disease 2019 (COVID-19), have been the focus of attention of researchers at home and abroad. In China, nurses are an important group contributing to the prevention and control of the COVID-19 pneumonia epidemic.Methods:Using semi-structured interviews, qualitative interviews were conducted with 23 nurses who supported the novel coronavirus pneumonia epidemic, and the data were collated and analyzed using Colaizzi analysis.Results:The work experience of Chinese nurses can be summarized into 4 major themes: they had different emotional experiences during aiding periods, aiding work had a double impact on the nurses, there were certain difficulties in aiding work, and there were significant age differences in aiding work experience.Conclusions:It is necessary to strengthen the psychological construction of nurses. All hospitals must coordinate and manage various safety tasks, and ensure the precise, scientific, and streamlined deployment of rescue work. Humanized management, shift adjustment, performance allocation weight, and organizational care are also the top priorities of human resource management.
Amidst pandemic and racial upheaval: Where Asian Americans Fit
Authors: Hua Whitney , Junn Jane 
Published: December 2020

AbstractAs racial tensions flare amidst a global pandemic and national social justice upheaval, the centrality of structural racism has renewed old questions and raised new ones about where Asian Americans fit in U.S. politics. This paper provides an overview of the unique racial history of Asians in the United States and analyzes the implications of dynamic racialization and status for Asian Americans. In particular, we examine the dynamism of Asian Americans' racial positionality relative to historical shifts in economic-based conceptions of their desirability as workers in American capitalism. Taking history, power, and institutions of white supremacy into account, we analyze where Asian Americans fit in contemporary U.S. politics, presenting a better understanding of the persistent structures underlying racial inequality and developing a foundation from which Asian Americans can work to enhance equality.
Why declare independence? Observing, believing, and performing the ritual
Authors: Knotter Lucas 
Published: December 2020

AbstractDeclarations of independence continue to be commonplace in international affairs, yet their efficacy as means towards statehood remains disputed in traditional international legal and political thinking and conduct. Consequently, recent scholarship on state recognition and emerging statehood suggests that the international persistence of such declarations should be understood in the context of broader international processes, narratives, and assemblages of state creation. Such suggestions, however, risk reifying declarations’ effectiveness more in relation to international structure(s) than to independence movement's own agency. This article, therefore, calls for a reframing of declarations of independence as a ritual in international relations. It argues that participating in the international ritual of independence declaration forms an attempt to ‘fuse’ the movement's political practice with international recognition, serves to express an internal belief in ‘redemption’ through the ‘ascension’ into the ‘celestial’ existence of recognised statehood, and offers an opportunity to internally bolster political community through political performance. Ritual theory, thus, uncovers how the global persistence of independence declarations cannot be explained merely through discrete oppositions of non-recognition versus recognition, belief versus reality, and/or non-state versus state community, and instead opens up new space for understanding the contradictions characterising the international political (in)significance and persistence of statehood declarations.