bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modulating the Oxidation State of Titanium via Dual Anions Substitution for Efficient N2 Electroreduction
Authors: Li Qinglin , Fang Cong , Yang Zihao , Yu Bo , Takabatake Moe , Motokura Ken , Sun Xiaoyan , Yang Yong 
Published: May 2022

AbstractThe electrocatalytic nitrogen reduction reaction (NRR) is a promising approach for renewable ammonia synthesis but remains significantly challenging due to the low yield and poor selectivity. Herein, a facile N and S dual anions substitution strategy is developed to tune the Ti oxidation states of TiO2 nanohybrid catalyst (NS‐TiO2/C), in which anatase TiO2 nanoplates with dense Ti3+ active sites are uniformly dispersed on porous carbon derived from 2D Ti3C2Tx nanosheets. The catalyst NS‐TiO2/C exhibits a superior ambient NRR efficiency with an NH3 yield rate of 19.97 µg h−1 mg−1cat and Faradaic efficiency of 25.49% and is coupled with a remarkable 50 h long‐term stability at −0.25 V versus RHE. Both experimental and theoretical results reveal that the N and S dual‐substitution effectively regulate the Ti oxidation state and electronical properties of the NS‐TiO2/C via simultaneously forming interstitial and substitutional TiS and TiN bonds in the anatase TiO2 lattice, inducing oxygen vacancies and dense Ti3+ active species as well as better electronic conductivity, which substantially facilitates N2 chemisorption and activation, and reduces the energy barrier of the rate‐determining step, thereby essentially boosting NRR efficiency. This work provides a valuable approach to the rational design of advanced materials by modulating oxidation states for efficient electrocatalysis.
National‐scale impacts on wind energy production under curtailment scenarios to reduce bat fatalities
Authors: Maclaurin Galen , Hein Cris , Williams Travis , Roberts Owen , Lantz Eric , Buster Grant , Lopez Anthony 
Published: May 2022

AbstractWind energy often plays a major role in meeting renewable energy policy objectives; however, increased deployment can raise concerns regarding the impacts of wind plants on certain wildlife. Particularly, estimates suggest hundreds of thousands of bat fatalities occur annually at wind plants across North America, with potential implications for the viability of several bat species. One approach to reducing bat fatalities is shutting down (or curtailing) turbines when bats are most at risk, such as at night during relatively low wind speed periods throughout summer and early autumn. While curtailment has consistently been shown to reduce bat fatalities, the lost power production reduces revenues for wind plants. This study conducted simulations with a range of curtailment scenarios across the contiguous United States to examine sensitivities of annual energy production (AEP) loss and potential impacts on economic metrics for future wind energy deployment. We found that AEP reduction can vary across the country from less than 1% to more than 10% for different curtailment scenarios. From an estimated 2891 gigawatts (GW) of simulated economically viable wind capacity (measured by a positive net present value), we found the mid curtailment scenario (6.0 m/s wind speed cut‐in from July 1 through October 31) reduced the quantity of economic wind capacity by 274 GW or 9.5%. Our results indicate that high levels of curtailment could substantially reduce the future footprint of financially viable wind energy. In this context, future work that illuminates cost‐effective strategies to minimize curtailment while reducing bat fatalities would be of value.
Transport and optical properties of the chiral semiconductor Ag3AuSe2
Authors: Won Juyeon , Kim Soyeun , Gutierrez‐Amigo Martin , Bettler Simon , Lee Bumjoo , Son Jaeseok , Won Noh Tae , Errea Ion , Vergniory Maia G. , Abbamonte Peter , Mahmood Fahad , Shoemaker Daniel P. 
Published: May 2022

AbstractPrevious band structure calculations predicted Ag3AuSe2 to be a semiconductor with a band gap of approximately 1 eV. Here, we report single crystal growth of Ag3AuSe2 and its transport and optical properties. Single crystals of Ag3AuSe2 were synthesized by slow‐cooling from the melt, and grain sizes were confirmed to be greater than 2 mm using electron backscatter diffraction. Optical and transport measurements reveal that Ag3AuSe2 is a highly resistive semiconductor with a band gap and activation energy around 0.3 eV. Our first‐principles calculations show that the experimentally determined band gap lies between the predicted band gaps from GGA and hybrid functionals. We predict band inversion to be possible by applying tensile strain. The sensitivity of the gap to Ag/Au ordering, chemical substitution, and heat treatment merit further investigation.
Convenient one‐pot synthesis and coordination chemistry of a bulky asymmetrical 9,10‐dihydroacridine‐based ligand
Authors: Nelmes Gareth R. , Brothers Penelope J. , Hicks Jamie 
Published: May 2022

AbstractAn asymmetrical, 9,10‐dihydroacridine‐based proligand, H[NNOtBu], featuring a diphenylamine and a tert‐butyl ether substituent on the 4 and 5 positions is reported. The ligand can be synthesized in a one‐pot, palladium‐catalysed reaction in reasonable yields from symmetrical starting materials. The coordination chemistry of this ligand has been investigated towards a range of main group metals. The reaction between the proligand H[NNOtBu] and benzyl potassium proceeded as expected, leading to deprotonation of the amine to give the potassium amide in good yields. In contrast, the reactions between H[NNOtBu] and MeMgBr or AlMe3 were found to be more complex, leading to both deprotonation of the amine and C−O bond cleavage of the ligand's tert‐butyl ether group. This C−O bond cleavage was found to be preventable when using the bulkier reagent n‐butyl‐sec‐butylmagnesium, yielding the monometallic complex [NNOtBu]MgsBu in good yields.
Population Dynamics of Mexican Migration on Both Sides of the Border
Authors: Masferrer Claudia , Pederzini Carla , Passel Jeffrey S. , Livingston Gretchen 
Published: May 2022

Abstract
The first decade of the twenty-first century was remarkable in terms of migration between Mexico and the United States. For the first time since the 1930s, the net flow of Mexicans to the United States declined to approximately zero for an extended period, and in fact, may have been negative (with more Mexicans returning to Mexico than going to the U.S.). Flows in both directions changed dramatically over a very short period. Movement to the United States decreased after 2005 reaching low levels not seen since the 1970s. At the same time, migration from the U.S. to Mexico—mostly Mexican-born former immigrants and some U.S.-born children of Mexicans—more than doubled from the levels of the late 1990s.
Violence and International Emigration from Mexico: Evidence at a Municipality Level
Authors: González Liliana Meza 
Published: May 2022

Abstract
International Human Rights law considers forced internal and international displacement a human-rights violation. By definition, violence is the trigger of the kind of displacement considered in this paper. The consequences of violence for the affected countries are severe. In sending communities, insecurity problems mix with economic deprivation to create conditions for migration. In receiving areas, it is common to experience increased unemployment, a violent redistribution of land ownership, strong inefficiencies in resource allocation, and the effects of large and unplanned demographic inflows into cities and regions, which act as receptors for the displaced. Leaders of regions affected by violence tend to create programs to deal with the consequences of displacement. However, the trend of displacement, the limited ability of the receptor cities, and the scale of these masses of people make the design of prevention, assistance, and resettlement policies a priority. A sine qua non condition for defining such policies is to understand the decision-making process underlying displacement. People react differently to given levels of direct and indirect violence. Frequently, we observe that a substantial portion of the population in violent areas decides to stay despite the risks this implies for them. In a sense, the decision whether to move or not, is a decision between the lesser of two “evils”: staying and accepting the everyday risk of being a victim of violence, or leaving behind one’s way of life and property and moving on, to an unfamiliar place, having to find new employment in the hope of a better life. Although the theoretical literature is unanimous in predicting a positive relationship between violence and migration, Morrison found a threshold effect of violence such that low levels of violence had no effect on migration, but violence reaching a certain threshold level led people to migrate.
Mexican Social Programs, Departures and Return Migration
Authors: Banegas Israel , Teruel Graciela , Latapí Agustín Escobar 
Published: May 2022

Abstract
Mexico–U.S. migration has been conceived of as triggered by a post-colonial relationship, influenced by economic development and income gaps, and sustained, over the long term, by the social connections arising from the movement itself. The significant shift in Mexico–U.S. net migration rate to a level close to zero between 2008 and 2020 has often been explained by a combination of diminishing market demand—due to the Great Recession, together with the attrition in migrant stocks derived in part from more than 1000 anti-immigrant bills after 2001 at the federal, state, and local levels in the U.S., as well as from a large amount of removals and deportations. Together, these two factors underline the significance of market forces in the U.S. and more effective removal/deterrence of undocumented immigrants. We believe this view makes a major contribution to an explanation of the change in migrations flows, but stills fails to account for it, both in terms of the non-economic determinants of well-being, and in terms of Mexico’s role in migration. These changes take place in a broader set of social policy changes in Mexico, where, from 1997 onwards, there was a significant effort to expand the social protection safety net.
Cybercrimes Law and Citizen Journalism Clampdown During the Covid-19 Pandemic in Tanzania
Authors: Solomon Eva 
Published: May 2022

AbstractThis chapter explores citizens’ use of social media during the Covid-19 pandemic in Tanzania against the backdrop of the restrictive Cybercrimes Act 2015. Guided by Uses and Gratifications Theory and through Grounded Theory as a method of inquiry for data collection and data analysis, the study found that, of the 60 citizens interviewed, 75 per cent supported the Cybercrimes Act 2015 as a relevant law but acknowledged that the same Act limits the construction and dissemination of their Covid-19 messages. Only 18.4 per cent of respondents trusted information posted by ordinary citizens while 81.6 per cent trusted information from verifiable sources. Data analysis further reveals a weak citizen journalism practice occasioned mainly by six factors: limited freedom of expression, poor knowledge of Cybercrimes Law, citizen journalism values underutilisation, poor social media literacy skills, and limited message construction and dissemination. Nonetheless, respondents revealed that social media remained the most popular platform on which citizens discuss Covid-19 preventive measures amidst reduced social interactions. Equipping citizens with social media literacy skills was found to be important to reduce misinformation and disinformation. The chapter calls for a review of Section 20 of the Cybercrimes Act 2015 to enable citizens, especially during pandemics, to seek and impart information more effectively, devoid of fear of repercussions.
Framing Poverty in Nigerian Online Media Reports on the Inaugural Neglected Tropical Diseases Day
Authors: Omitola Omotayo Modupeola 
Published: May 2022

AbstractNeglected tropical diseases (NTDs) are so called because they affect the poor people in the low income tropical and subtropical regions of the world which do not draw much global attention. The diseases can be totally cured with adequate clinical interventions; however, their persistence, in spite of the availability of drugs, brought about the dedication of January 30 as a world awareness day to focus on them. This chapter looks into online media reports about the day in Nigeria, the country with 45% of the disease burden in sub-Saharan Africa. A total of 34 reports turned up by a Google search were sampled. Using framing theory, the chapter identifies how the reports, relying on the testimonies of medical experts, rightly highlight poverty as the major driver of the diseases. They are, however, silent about the need to eradicate poverty in order to eradicate the diseases, thus neglecting it (poverty) at a critical point. This creates an amputated frame that does not deliver on how the incidence of the diseases can be holistically tackled. Journalists are urged to conduct independent research when reporting on technical issues in order to complement the testimonies of experts and thus complete their frames.
Reflections on Selected Gender Equality in STEM Initiatives in an Irish University
Authors: Devereux Michael , Heffernan Elizabeth , McKeever Susan , Dunne Julie , Shoemaker Leslie , O’Leary Ciarán 
Published: May 2022

AbstractThis chapter provides an account of the journey taken by the College of Sciences and Health in Technological University Dublin over an eleven-year period, from 2010 to 2021, as it sought to address the challenges of gender inequality in STEM (Science, Technology, Engineering, Mathematics) disciplines. The start and end points for the journey are marked by the formation of the College and its eventual replacement following a reorganisation of the Higher Education landscape in Ireland and a structural reorganisation at University level. This chapter draws upon the authors’ collective experience of leadership within the managerial structures of the College and the University, and leadership on specific initiatives, to illustrate how consideration of gender equality and inequality featured within the journey taken by the College over this period of time. The chapter applies a broad lens to analyse the gender profile of the College’s people and practices, including its planning, its operational management, its leadership, its staff profile and its student cohorts over the eleven-year period. The chapter also focusses more narrowly on a set of specific initiatives undertaken within the College or across the University which impacted upon the College. Collectively, the two perspectives demonstrate how a STEM College evolved over an extended period of time, shaped by cultural changes and challenges and bolstered by initiatives that targeted the areas of greatest challenge. This eleven-year snapshot provides insight into a journey that has built momentum and has potential to continue into the future. The story communicated in this chapter will be of value to Higher Education leaders and practitioners that wish to learn from this experience and interpret the approach set out in this chapter for their own local context.
Generalized entanglement entropies in two-dimensional conformal field theory
Authors: Murciano Sara , Calabrese Pasquale , Konik Robert M. 
Published: May 2022

Abstract
We introduce and study generalized Rényi entropies defined through the traces of products of TrB(| Ψi⟩⟨Ψj| ) where ∣Ψi⟩ are eigenstates of a two-dimensional conformal field theory (CFT). When ∣Ψi⟩ = ∣Ψj⟩ these objects reduce to the standard Rényi entropies of the eigenstates of the CFT. Exploiting the path integral formalism, we show that the second generalized Rényi entropies are equivalent to four point correlators. We then focus on a free bosonic theory for which the mode expansion of the fields allows us to develop an efficient strategy to compute the second generalized Rényi entropy for all eigenstates. As a byproduct, our approach also leads to new results for the standard Rényi and relative entropies involving arbitrary descendent states of the bosonic CFT.
Anaerobic Degradation of Naphthalene and Pyrene by Sulfate-Reducing Cultures Enriched from Former Manufactured Gas Plant Soil
Authors: Dhar Kartik , Panneerselvan Logeshwaran , Subashchandrabose Suresh R. , Venkateswarlu Kadiyala , Megharaj Mallavarapu 
Published: May 2022

AbstractBiodegradation of polycyclic aromatic hydrocarbons (PAHs) under completely anaerobic sulfate-reducing conditions is an energetically challenging process. To date, anaerobic degradations of only two-ringed naphthalene and three-ringed phenanthrene by sediment-free and enriched sulfate-reducing bacteria have been reported. In this study, sulfate-reducing enrichment cultures capable of degrading naphthalene and four-ringed PAH, pyrene, were enriched from a contaminated former gas plant site soil. Bacterial community composition analysis revealed that a naphthalene-degrading enrichment culture, MMNap, was dominated (84.90%) by a Gram-positive endospore-forming member of the genus Desulfotomaculum with minor contribution (8.60%) from a member of Clostridium. The pyrene-degrading enrichment, MMPyr, was dominated (97.40%) by a species of Desulfotomaculum. The sequences representing the Desulfotomaculum phylotypes shared 98.80% similarity to each other. After 150 days of incubation, MMNap degraded 195 µM naphthalene with simultaneous reduction of sulfate and accumulation of sulfide. Similarly, MMPyr degraded 114 µM pyrene during 180 days of incubation with nearly stochiometric sulfate consumption and sulfide accumulation. In both cases, the addition of sulfate reduction inhibitor, molybdate (20 mM), resulted in complete cessation of the substrate utilization and sulfate reduction that clearly indicated the major role of the sulfate-reducing Desulfotomaculum in biodegradation of the two PAHs. This study is the first report on anaerobic pyrene degradation by a matrix-free, strictly anaerobic, and sulfate-reducing enrichment culture.
A Bayesian computational model to investigate expert anticipation of a seemingly unpredictable ball bounce
Authors: Harris David J. , North Jamie S. , Runswick Oliver R. 
Published: May 2022

AbstractDuring dynamic and time-constrained sporting tasks performers rely on both online perceptual information and prior contextual knowledge to make effective anticipatory judgments. It has been suggested that performers may integrate these sources of information in an approximately Bayesian fashion, by weighting available information sources according to their expected precision. In the present work, we extended Bayesian brain approaches to anticipation by using formal computational models to estimate how performers weighted different information sources when anticipating the bounce direction of a rugby ball. Both recreational (novice) and professional (expert) rugby players (n = 58) were asked to predict the bounce height of an oncoming rugby ball in a temporal occlusion paradigm. A computational model, based on a partially observable Markov decision process, was fitted to observed responses to estimate participants’ weighting of online sensory cues and prior beliefs about ball bounce height. The results showed that experts were more sensitive to online sensory information, but that neither experts nor novices relied heavily on prior beliefs about ball trajectories in this task. Experts, but not novices, were observed to down-weight priors in their anticipatory decisions as later and more precise visual cues emerged, as predicted by Bayesian and active inference accounts of perception.
Quality of life in lung cancer survivors treated with tyrosine-kinase inhibitors (TKI): results from the multi-centre cross-sectional German study LARIS
Authors: Riccetti Nicola , Blettner Maria , Taylor Katherine , Wehler Beatrice , Gohrbandt Bernhard , Nestle Ursula , Bals Robert , Stockinger Marcus , Wehler Thomas , Singer Susanne , Eichler Martin 
Published: May 2022

Abstract
Purpose
We aimed at exploring the quality of life (QOL) of lung cancer survivors with proven tyrosine-kinase receptor (RTK) genetic alterations and targeted tyrosine-kinase inhibitors (TKI) therapy, compared to lung cancer survivors with no-RTK alterations and no-TKI therapy.

Methods
Data were collected in a cross-sectional multi-centre study. Primary lung cancer survivors were asked about their socio-demographic and clinical information, QOL, symptom burden, and distress. QOL and symptom burden were assessed using the European Organization for Research and Treatment of Cancer Quality of Life Questionnaire Core 30 (EORTC QLQ-C30), and distress with the Patient Health Questionnaire-4 (PHQ-4). Demographic and clinical characteristics were reported in absolute and relative frequencies, QOL, and symptom burden using mean scores. Differences in mean scores with relative 95% confidence intervals were used for comparison.

Results
Three groups of survivors were defined: group A with proven RTK alterations, TKI therapy at any time during therapy, and stage IV lung cancer at diagnosis (n = 49); group B: non-TKI therapy and stage IV lung cancer (n = 121); group C: non-TKI therapy and stage I–III lung cancer (n = 495). Survivors in group A reported lower QOL (mean score difference = -11.7 vs. group B) and symptom burden for dyspnoea (difference = -11.5 vs. group C), and higher symptom burden for appetite loss (difference =  + 11.4 vs. group C), diarrhoea and rash (differences =  + 25.6, + 19.6 and + 13.2, + 13.0, respectively, vs. both groups).

Conclusions
Our results suggest that the specific side effects of TKI therapy can impair QOL among lung cancer survivors. Therefore, specific focus towards the optimal management of these side effects should be considered.
The epigenetic modifier HDAC2 and the checkpoint kinase ATM determine the responses of microsatellite instable colorectal cancer cells to 5-fluorouracil
Authors: Kiweler Nicole , Schwarz Helena , Nguyen Alexandra , Matschos Stephanie , Mullins Christina , Piée-Staffa Andrea , Brachetti Christina , Roos Wynand P. , Schneider Günter , Linnebacher Michael , Brenner Walburgis , Krämer Oliver H. 
Published: May 2022

AbstractThe epigenetic modifier histone deacetylase-2 (HDAC2) is frequently dysregulated in colon cancer cells. Microsatellite instability (MSI), an unfaithful replication of DNA at nucleotide repeats, occurs in about 15% of human colon tumors. MSI promotes a genetic frameshift and consequently a loss of HDAC2 in up to 43% of these tumors. We show that long-term and short-term cultures of colorectal cancers with MSI contain subpopulations of cells lacking HDAC2. These can be isolated as single cell-derived, proliferating populations. Xenografted patient-derived colon cancer tissues with MSI also show variable patterns of HDAC2 expression in mice. HDAC2-positive and HDAC2-negative RKO cells respond similarly to pharmacological inhibitors of the class I HDACs HDAC1/HDAC2/HDAC3. In contrast to this similarity, HDAC2-negative and HDAC2-positive RKO cells undergo differential cell cycle arrest and apoptosis induction in response to the frequently used chemotherapeutic 5-fluorouracil, which becomes incorporated into and damages RNA and DNA. 5-fluorouracil causes an enrichment of HDAC2-negative RKO cells in vitro and in a subset of primary colorectal tumors in mice. 5-fluorouracil induces the phosphorylation of KAP1, a target of the checkpoint kinase ataxia-telangiectasia mutated (ATM), stronger in HDAC2-negative cells than in their HDAC2-positive counterparts. Pharmacological inhibition of ATM sensitizes RKO cells to cytotoxic effects of 5-fluorouracil. These findings demonstrate that HDAC2 and ATM modulate the responses of colorectal cancer cells towards 5-FU.
Graphical abstract