bluuebunny/crossref_metadata_2025_split huggingface dataset:
Temperature‐dependent approach to chemical reactivity concepts in density functional theory
Authors: Gázquez José L. , Franco‐Pérez Marco , Ayers Paul W. , Vela Alberto 
Published: October 2018

AbstractThe chemical reactivity concepts of density functional theory are studied through a unified view in the temperature‐dependent approach provided by the grand canonical ensemble. This procedure leads to a more general perspective that enriches our understanding of the behavior of the average energy and its derivatives with respect to the average number of electrons, provides alternative definitions for those quantities that are “ill defined” at zero temperature, and allows one to determine the relationships among reactivity concepts at any temperature. In particular, it has been found that at high temperatures the parabolic model for reactivity indicators may be justified through the electronic entropy term in the Helmholtz free energy, and that at nonzero temperatures there is an electronic heat capacity contribution to the average energy. In summary, the unified view of the temperature‐dependent approach is an important complement to the zero‐temperature formulation that clarifies fundamental issues therein.
The influence of spatial limits on the modeling chemical reactivity: The example of CO2 hydration in MeX zeolites (Me = K, Rb, Cs)
Authors: Rybakov Andrey A. , Bryukhanov Ilya A. , Trubnikov Dmitrii N. , Larin Alexander V. 
Published: October 2018

AbstractZeolite cell size variations upon cationic exchange are frequently disregarded while calculating chemical reactions with rather bulky reagents. An example of the reaction between the small reagents (H2O and CO2) illustrates a necessity to check this assumption for faujasite (FAU) zeolites with large porous space. The interplay of the space for the reaction center and the mobility of alkali cations forces lattice parameters to play a crucial role for the accurate computation of activation barrier of CO2 hydration. While the CO2 hydration is modeled in the MeX forms (Me = Rb, or Cs) with a fixed volume of NaX one, barrierless reactions were predicted that is not confirmed by experimental data. When the RbX and CsX cell parameters were optimized with Vienna Ab‐initio Simulation Package (VASP), activation energies were obtained in agreement with the experimental data that CO2 hydration in CsX occurs at room temperature.
3D 3C‐SiC/Graphene Hybrid Nanolaminate Films for High‐Performance Supercapacitors
Authors: Heuser Steffen , Yang Nianjun , Hof Felix , Schulte Anna , Schönherr Holger , Jiang Xin 
Published: October 2018

AbstractHigh‐performance supercapacitors feature big and stable capacitances and high power and energy densities. To fabricate high‐performance supercapacitors, 3D 3C‐SiC/graphene hybrid nanolaminate films are grown via a microwave plasma‐assisted chemical vapor deposition technique. Such films consist of 3D alternating structures of vertically aligned 3C‐SiC and graphene layers, leading to high surface areas and excellent conductivity. They are further applied as the capacitor electrodes to construct electrical double layer capacitors (EDLCs) and pseudocapacitors (PCs) in both aqueous and organic solutions. The capacitance for an EDLC in aqueous solutions is up to 549.9 µF cm−2, more than 100 times higher than that of an epitaxial 3C‐SiC film. In organic solutions, it is 297.3 µF cm−2. The pseudocapacitance in redox‐active species (0.05 Fe(CN)6
3−/4−) contained aqueous solutions is as high as 62.2 mF cm−2. The capacitance remains at 98% of the initial value after 2500 charging/discharging cycles, indicating excellent cyclic stability. In redox‐active species (0.01 m ferrocene) contained organic solutions, it is 16.6 mF cm−2. Energy and power densities of a PC in aqueous solution are 11.6 W h kg−1 and 5.1 kW kg−1, respectively. These vertically aligned 3C‐SiC/graphene hybrid nanolaminate films are thus promising electrode materials for energy storage applications.
Tumor‐pH‐Responsive Dissociable Albumin–Tamoxifen Nanocomplexes Enabling Efficient Tumor Penetration and Hypoxia Relief for Enhanced Cancer Photodynamic Therapy
Authors: Yang Zhijuan , Chen Qian , Chen Jiawen , Dong Ziliang , Zhang Rui , Liu Jingjing , Liu Zhuang 
Published: October 2018

AbstractDespite the promises of applying nano‐photosensitizers (nano‐PSs) for photodynamic therapy (PDT) against cancer, severe tumor hypoxia and limited tumor penetration of nano‐PSs would lead to nonoptimized therapeutic outcomes of PDT. Therefore, herein a biocompatible nano‐PS is prepared by using tamoxifen (TAM), an anti‐estrogen compound, to induce self‐assembly of chlorin e6 (Ce6) modified human serum albumin (HSA). The formed HSA–Ce6/TAM nanocomplexes, which are stable under neutral pH with a diameter of ≈130 nm, would be dissociated into individual HSA–Ce6 and TAM molecules under the acidic tumor microenvironment, owing to the pH responsive transition of TAM from hydrophobic to hydrophilic. Upon systemic administration, such HSA–Ce6/TAM nanoparticles exhibit prolonged blood circulation and high accumulation in the tumor, where it would undergo rapid pH responsive dissociation to enable obviously enhanced intratumoral penetration of HSA–Ce6. Furthermore, utilizing the ability of TAM in reducing the oxygen consumption of cancer cells, it is found that HSA–Ce6/TAM after systemic administration could efficiently attenuate the tumor hypoxia status. Those effects acting together lead to remarkably enhanced PDT treatment. This work presents a rather simple approach to fabricate smart nano‐PSs with multiple functions integrated into a single system via self‐assembly of all‐biocompatible components, promising for the next generation cancer PDT.
Patterned Optoelectronic Tweezers: A New Scheme for Selecting, Moving, and Storing Dielectric Particles and Cells
Authors: Zhang Shuailong , Shakiba Nika , Chen Yujie , Zhang Yanfeng , Tian Pengfei , Singh Jastaranpreet , Chamberlain M. Dean , Satkauskas Monika , Flood Andrew G. , Kherani Nazir P. , Yu Siyuan , Zandstra Peter W. , Wheeler Aaron R. 
Published: October 2018

AbstractOptical micromanipulation has become popular for a wide range of applications. In this work, a new type of optical micromanipulation platform, patterned optoelectronic tweezers (p‐OET), is introduced. In p‐OET devices, the photoconductive layer (that is continuous in a conventional OET device) is patterned, forming regions in which the electrode layer is locally exposed. It is demonstrated that micropatterns in the photoconductive layer are useful for repelling unwanted particles/cells, and also for keeping selected particles/cells in place after turning off the light source, minimizing light‐induced heating. To clarify the physical mechanism behind these effects, systematic simulations are carried out, which indicate the existence of strong nonuniform electric fields at the boundary of micropatterns. The simulations are consistent with experimental observations, which are explored for a wide variety of geometries and conditions. It is proposed that the new technique may be useful for myriad applications in the rapidly growing area of optical micromanipulation.
Black girls speak STEM: Counterstories of informal and formal learning experiences
Authors: King Natalie S. , Pringle Rose M. 
Published: October 2018

AbstractThis study presents the interpretations and perceptions of Black girls who participated in I AM STEM—a community‐based informal science, technology, engineering, and mathematics (STEM) program. Using narrative inquiry, participants generated detailed accounts of their informal and formal STEM learning experiences. Critical race methodology informed this research to portray the dynamic and complex experiences of girls of color, whose stories have historically been silenced and misrepresented. The data sources for this qualitative study included individual interviews, student reflection journals, samples of student work, and researcher memos, which were triangulated to produce six robust counterstories. Excerpts of the counterstories are presented in this article. The major findings of this research revealed that I AM STEM ignited an interest in STEM learning through field trips and direct engagement in scientific phenomena that allowed the girls to become agentic in continuing their engagement in STEM activities throughout the year. This call to awaken the voices of Black girls to speak casts light on their experiences and challenges as STEM learners—from their perspectives. The findings confirm that when credence and counterspaces are given to Black girls, they are poised to reveal their luster toward STEM learning. This study provided a space for Black girls to reflect on their STEM learning experiences, formulate new understandings, and make connections between the informal and formal learning environments within the context of their everyday lives, thus offering a more holistic approach to STEM learning that occurs across settings and over a lifetime.
Investigation of the science achievement models for low and high achieving schools and gender differences in Turkey
Authors: Acar Ömer 
Published: October 2018

AbstractA science achievement model was separately investigated for students in low and high achieving schools (LAS and HAS) in Turkey. Then, gender differences based on variables that significantly contributed to each achievement model were investigated. The student‐level variables that were under investigation for multiple regression analyses include attitudes toward science, epistemological beliefs, metacognition, views on science teaching, and socioeconomic status (SES). The science achievement scores of students on a nationwide exam were used to measure science achievement. Both for LAS and HAS, two schools were selected. Results were reported for 241 and 320 students in LAS and HAS, respectively. According to the results, self‐concept in science, knowledge of cognition, SES, importance of science, gradual learning, and views on lab work significantly contributed to the science achievement model in LAS. On the other hand, self‐concept in science, SES, gradual learning, studying, and learning science in school significantly contributed to the science achievement model in HAS. Results also revealed that girls outperformed boys on knowledge of cognition and importance of science in LAS. Moreover, girls scored higher than boys on gradual learning and studying in HAS. According to these findings, implications for science education were discussed.
Semi-classical BMS3 blocks and flat holography
Authors: Hijano Eliot 
Published: October 2018

AbstractWe present the construction of BMS3blocks in a two-dimensional field theory and compare the results with holographic computations involving probe particles propagating in flat space cosmologies. On the field theory side, we generalize the monodromy method used in the context of AdS/CFT to theories with BMS symmetry. On the bulk side, we consider geodesic Feynman diagrams, recently introduced in [1], evaluated in locally flat geometries generated by backreaction of heavy BMS primary operators. We comment on the implications of these results for the eigenstate thermalization hypothesis in flat holography.
Deep disagreement and hinge epistemology
Authors: Ranalli Chris 
Published: October 2018

AbstractThis paper explores the application of hinge epistemology to deep disagreement. Hinge epistemology holds that there is a class of commitments—hinge commitments—which play a fundamental role in the structure of belief and rational evaluation: they are the most basic general ‘presuppositions’ of our world views which make it possible for us to evaluate certain beliefs or doubts as rational. Deep disagreements seem to crucially involve disagreements over such fundamental commitments. In this paper, I consider pessimism about deep disagreement, the thesis that such disagreements are rationally irresolvable, and ask whether the Wittgensteinian account of deep disagreement—according to which such disagreements are disagreements over hinge commitments—provides adequate support for pessimism. I argue that the answer to this question depends on what hinge commitments are and what our epistemic relation to them is supposed to be. I argue for two core claims. First, that non-epistemic theories of hinge commitments provide adequate support for pessimism. Nevertheless, such theories have highly implausible consequences in the context of deep disagreement. Secondly, at least one epistemic theory of hinge commitments, the entitlement theory, permits optimism about such disagreements. As such, while hinge epistemology is mainly pessimistic about deep disagreement, it doesn’t have to be.
Damage to or Injury of the Distal Semitendinosus Tendon During Sporting Activities: A Systematic Review
Authors: Metcalf Kathryn B. , Knapik Derrick M. , Voos James E. 
Published: October 2018

Background Isolated distal semitendinosus tears and avulsions sustained during sporting activities are uncommon. Question/Purposes We sought to systematically review the literature to identify athletes sustaining distal semitendinosus tears and avulsions during sporting activities and to better understand injury mechanisms, management, and return-to-sport timing. Methods PubMed, Biosis Previews, SPORTDiscus, PEDro, and EMBASE databases were searched from January 1970 to January 2018 using the search terms distal hamstring, semitendinosus, sport, athlete, tear, rupture, and avulsion. Inclusion criteria were studies documenting (1) isolated, complete distal semitendinosus tears and avulsions during sporting activity, (2) injury management, and (3) athlete outcome. Exclusion criteria were studies reporting (1) partial tears, (2) injuries from non-sporting activities, or (3) athlete sustaining injury with concomitant injuries about the knee. Sporting activities, tear location, management strategy, time from injury to surgery, and return-to-sport timing were analyzed. Statistical analysis was used to evaluate return-to-sport timing based on treatment type and tear location. Results Four studies met the inclusion criteria, comprising a total of 23 cases of complete, isolated distal semitendinosus avulsions or tears. Injuries were sustained predominantly while running or sprinting and most commonly were avulsions off the tibia. Injuries were treated surgically in 70% of cases. Overall time to return to sport was 2.5 ± 1.4 months with athletes treated conservatively returning significantly more quickly (1.5 ± 0.8 months) than athletes undergoing surgery (3.0 ± 1.3 months). Return-to-sport time was significantly shorter in athletes with complete avulsions (2.2 ± 1.3 months) than in those sustaining tears at the musculotendinous junction (3.8 ± 0.8 months). No significant correlation between time to surgery and return-to-sport time was appreciated. Conclusion Isolated, complete distal semitendinosus tears and avulsions remain infrequently reported during sporting activities and, in this review, occurred predominantly during non-contact activity. Athletes treated conservatively were found to return to sport more quickly, although additional studies are needed to determine the clinical relevance of treatment option, tear location, and concurrent injuries.
Comparison of the Effect of Intermittent and Continuous Aerobic Physical Training on Sexual Function of Women With Polycystic Ovary Syndrome: Randomized Controlled Trial
Authors: Lopes Iris Palma , Ribeiro Victor Barbosa , Reis Rosana Maria , Silva Rafael Costa , Dutra de Souza Hugo Celso , Kogure Gislaine Satyko , Ferriani Rui Alberto , Silva Lara Lúcia Alves da 
Published: October 2018

Abstract

Background
Polycystic ovary syndrome (PCOS) is a common condition characterized by hyperandrogenism, anthropometric changes (increased weight and waist-to-hip ratio [WHR]), behavioral changes (sexual dysfunction, anxiety, and depression), and reduced quality of life. Physical exercise may reduce many of the adverse effects of PCOS. However, no studies have yet evaluated the effects of aerobic exercise on the sexual function of women with PCOS.

Aim
To compare the effects of continuous and intermittent aerobic physical training on the sexual function and mood of women with PCOS.

Methods
This is a secondary analysis of a controlled clinical trial in which women with PCOS (18–39 years of age) were randomly allocated to 1 of 3 groups for 16 weeks: continuous aerobic training (CAT, n = 23), intermittent aerobic training (IAT, n = 22), or no training (control group, n = 24). The Female Sexual Function Index (FSFI) was used to assess sexual function, and the Hospital Anxiety and Depression Scale (HADS) was used to assess anxiety and depression.

Main Outcome Measure
The main outcome measure used was the FSFI.

Outcomes
The primary outcomes were changes from baseline in total FSFI score and HAD scores at week 16 to prove the superiority of intermittent aerobic exercise compared with continuous aerobic exercise.

Results
After 16 weeks, the CAT group had a significant increase in the total FSFI score, improvements in the FSFI domains of satisfaction and pain, and a reduction in the WHR. The CAT and IAT groups also had significantly lower levels of testosterone after 16 weeks. The IAT group had a significant increase in the total FSFI score and improvements in the desire, excitation, lubrication, orgasm, and satisfaction FSFI domains. The CAT and IAT groups both had significant reductions in anxiety and depression scores after 16 weeks.

Clinical Implications
Aerobic physical training protocols could be indicated to promote mental and sexual health in women with PCOS.

Strength & Limitations
This is one of the first studies to examine the effects of different physical training protocols on the sexual function of women with PCOS. The limitations of this study are that we did not consider diet or the frequency of sexual relations of participants with their partners. These factors could have interfered with the outcomes.

Conclusion
The CAT and IAT protocols improved the sexual function and reduced the anxiety and depression of women with PCOS. Both protocols were similar to improve FSFI domain scores.
Risk and Self-Respect
Authors: Baderin Alice , Barnes Lucy 
Published: October 2018

AbstractWhat is the nature of the experience of risk? Risk can impose distinctive burdens on individuals: making us anxious, impairing our relationships and limiting our ability to plan our lives. On the other hand, risky situations are sometimes exciting, liberating and even empowering. The article explores the idea that risk can result in benefits for the individuals who bear it. Specifically, we evaluate John Tomasi’s claim that the experience of economic risk is a precondition of individual self-respect. Philosophical claims about the social bases of self-respect such as Tomasi’s have not been subjected to sufficient empirical scrutiny. The article exemplifies an alternative approach, by integrating philosophical argument with the analysis of large-scale survey data. Whilst Tomasi’s claim has force in some contexts, evidence from the economic domain shows that risk tends to undermine rather than to support self-respect.
Rational Learners or Impervious Partisans? Economic News and Partisan Bias in Economic Perceptions
Authors: Matthews J. Scott , Pickup Mark 
Published: October 2018

AbstractDecades of research have established the direct influence of partisanship on voter perception of a host of real-world conditions. Even so, numerous factors have been found to moderate this “partisan bias.” We examine one plausible moderator: the volume of perceptually relevant information that is available in the mass media. Both dissonance-theoretic and motivated-reasoning formulations of partisan bias in political perception suggest that the availability of perceptually relevant information may constrain perceptual bias. Yet this proposition has rarely been investigated systematically. This article investigates the moderation of partisan bias by informational conditions, focusing on the impact of economic news on economic perceptions during five Canadian general elections (1993–2006). Although the overall pattern is mixed, evidence suggests that bias reduction in response to information depends on the broader economic and political context.
Progress in Clinical Neurosciences: Evidence Based Care in the Neurosciences
Authors: Wiebe Samuel , Demaerschalk Bart 
Published: October 2018

Abstract:We examine the relevance of Evidence Based Care (EBC) to the field of clinical neurosciences, with particular emphasis on feasible methods of implementing EBC in clinical practice. By using pre-appraised EBC summaries, busy clinicians can move toward EBC without engaging in the laborious process of searching and critically appraising the literature. After reviewing the neurological content, accessibility and ease of use of current sources of EBC summaries, we find them substantially lacking in coverage of the neurosciences, and therefore of limited use to clinicians in this field. We emphasize a particular type of EBC summary, the critically appraised topic, and comment on its usefulness and limitations as a tool to assist clinical decision-making in the neurosciences. Finally, we propose that a collection of easily accessible, good quality, peer reviewed critically appraised topics, covering a breadth of relevant topics, is a reasonable way of moving toward EBC in the clinical neurosciences.
Blood Pressure Management in Acute Stroke: Comparison of Current Guidelines with Prescribing Patterns
Authors: Kanji Salmann , Corman Céline , Douen Andre G. 
Published: October 2018

Abstract:Objective:Current recommendations for treating elevated blood pressure (BP) in the acute stroke are based largely on expert opinion and vary with regard to treatment thresholds and choice of antihypertensive agents. In this study we investigate the influence of these recommendations by comparing the management of hypertension in acute stroke at a tertiary care hospital with current guidelines.Method:Retrospective chart review of patients admitted with acute stroke at The Ottawa Hospital-General Campus over six consecutive months. The use of antihypertensive medications (type, dose, routes of administration, BP recordings) in the first seven days after admission was noted.Results:Transdermal nitroglycerin paste was the most commonly used antihypertensive agent. In contrast to the 15% reduction in BP over 24 hours recommended for lowering BP in hypertensive patients with ischemic stroke, nitroglycerin caused a >15% reduction of BPover the first 24 hours on 60% of the occasions used. Furthermore, despite concerns about sublingual nifedipine, this was the second most commonly prescribed agent. Surprisingly, the mean time to first BP measurement following initiation of antihypertensive therapy was 117 ± 43 minutes in ischemic stroke and 88 ± 89 minutes in hemorrhagic strokes.Conclusions:The current guidelines for management of acute poststroke hypertension appear to have little influence on prescribing patterns, leading to considerable variations in practice. Such variations, likely due to uncertainty caused by lack of evidence from randomised controlled trials, are intolerable as patients maybe submitted to nonstandardised, potentially harmful care such as inappropriate choice of antihypertensives and inadequate BP monitoring as observed in this study.