bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Studies on the Mechanisms for Deaminative Amide Hydrogenation by Homogeneous Bifunctional Catalysts
Authors: Artús Suàrez Lluís , Balcells David , Nova Ainara 
Published: December 2021

AbstractThe deaminative hydrogenation of amides is one of the most convenient pathways for the synthesis of amines and alcohols. The ideal source of reducing equivalents for this reaction is molecular hydrogen, though, in practice, this approach requires high pressures and temperatures, with many catalysts achieving only small turnover numbers and frequencies. Nonetheless, during the last ten years, this field has made major advances towards larger turnovers under milder conditions thanks to the development of bifunctional catalysts. These systems promote the heterolytic cleavage of hydrogen into proton and hydride by combining a basic ligand with an acidic metal centre. The present review focuses on the computational study of the reaction mechanism underlying bifunctional catalysis. This review is structured around the fundamental steps of this mechanism, namely the C=O and C–N hydrogenation of the amide, the C–N protonolysis of the hemiaminal, the C=O hydrogenation of the aldehyde, and the competition between hydrogen activation and catalyst deactivation. In line with the complexity of the mechanism, we also provide a perspective on the use of microkinetic models. Both Noyori- and Milstein-type catalysts are discussed and compared.
The value of entrepreneurship by gender on regional behaviour
Authors: Crecente Fernando , Sarabia María , del Val María Teresa 
Published: December 2021

AbstractThis paper examines how the value of entrepreneurship by gender is related to regional behaviour. Researchers have traditionally defined entrepreneurial organization as separate to gender and to economic growth. Using the Global Entrepreneurship Monitor (GEM) we complete a dataset of 50 countries using variables such as total early-stage entrepreneurial activity (TEA) and opportunity-driven entrepreneurial activity (OPP). The methodology used proposes an analysis of regional convergence, comparing the evolution over time of both the rate of entrepreneurial activity and the ratios of opportunity-driven and need-driven entrepreneurial activity, distinguishing by gender. On the other hand, a regression model is proposed that explains the greater presence of female entrepreneurship. The results show that entrepreneurship by gender is an important factor to define different cluster of countries according to how men and women entrepreneurs create new economic opportunities.
A multi-scale integrated assessment model to support urban sustainability
Authors: Purvis Ben , Mao Yong , Robinson Darren 
Published: December 2021

AbstractTools purposed towards supporting the transition to more sustainable urban futures typically focus on specific phenomena at the local level. Whilst such approaches remain valuable, there is a need to complement this micro approach with broader integrated methods which deal with the interaction between different urban components as well as their relation to processes and policies enacted at higher scales. Through the adaptation of the World3 global model of Meadows et al. (The limits to growth, Universe Books, New York, 1972; Limits to growth: the 30-year update. Earthscan, London 2005), integrating both an urban system layer, and a national data layer inputting new data, we develop a proof-of-concept multi-scale integrated assessment model. This model is used to explore the relationship between the sustainability of the urban system relative to higher-scale contexts. By emphasising feedback, cascading effects, and unintended consequences, such a modelling framework allows for deeper consideration of coupling mechanisms between subsystems both within the urban system and across broader scales. Following the description of our model, we take Meadows et al. (2005)’s ‘Scenario 3’ as a starting point to generate several scenarios exploring potential intervention taken at the level of the individual urban system to tackle food security and localised pollution. Our results demonstrate that the evolution of the urban system is sensitively dependent on wider global events, and that while concerted intervention may mitigate some effects, the future of an individual system is largely at the mercy of the evolution of the global system. We argue that the results of this exercise suggest an important role for multi-scale models for informing the wider context of policy measures taken across different hierarchical scales. In an extended discussion section, we outline barriers and potential routes for building our work beyond a proof-of-concept relating to data, boundaries, politicisation, and building confidence in model outputs.
Organised crime and animals
Authors: van Uhm Daan , Siegel Dina 
Published: December 2021

AbstractThis article provides an introduction to the special issue of Trends in Organized Crime on ‘Organised Crime and Animals’. The special issue contributes to the criminological literature on organised crime, new illicit markets and green criminology. The articles in this special issue offer a wide range of empirical evidence, criminological analysis and theoretical explorations of the various connections between organised crime and animals, including the illegal wildlife trade, gambling on animals, puppy trafficking, the killing of wolves and illegal, unreported fisheries and the regulatory and enforcement responses to these phenomena.
Accounting for diversity in older adults’ digital inclusion and literacy: the impact of a national intervention
Authors: McCosker Anthony , Critchley Christine , Walshe Jarrod , Tucker Julie , Suchowerska Roksolana 
Published: December 2021

AbstractIn many parts of the world, older adults continue to face significant barriers to digital inclusion, but the source of that inequality is not well understood. However, we do not know enough about differences among older people seeking to improve their digital skills. Examining the impact of a national three-year digital inclusion programme reaching more than 580,000 older adults in Australia, this study explores factors that affect digital skills and literacy later in life. A mixed-methods approach involving a two time-point survey (N = 337) along with participant interviews (N = 30) examined the effectiveness of programme elements. A latent class analysis was applied to examine differences in the way older adults engage with digital technologies. Qualitative analysis helped to detail those differences. Programme outcomes were far from uniform, reflecting diverse motivations, lifecourse experiences, needs and capabilities among older adults, countering much existing research that tends to elide those differences. With reference to the concept of situated literacies, we highlight the importance of life experiences, needs and motivations to the outcomes of digital inclusion interventions. Our findings emphasise the need to disaggregate older adult internet users, and account for differences in life experiences, needs and motivations in the design and delivery of digital inclusion interventions at scale.
Securing the Automatic Identification System (AIS): Using public key cryptography to prevent spoofing whilst retaining backwards compatibility
Authors: Wimpenny Gareth , Šafář Jan , Grant Alan , Bransby Martin 
Published: December 2021

AbstractThe civilian Automatic Identification System (AIS) has no inherent protection against spoofing. Spoofed AIS messages have the potential to interfere with the safe navigation of a vessel by, amongst other approaches, spoofing maritime virtual aids to navigation and/or differential global navigation satellite system (DGNSS) correction data conveyed across it. Acting maliciously, a single transmitter may spoof thousands of AIS messages per minute with the potential to cause considerable nuisance; compromising information provided by AIS intended to enhance the mariner's situational awareness. This work describes an approach to authenticate AIS messages using public key cryptography (PKC) and thus provide unequivocal evidence that AIS messages originate from genuine sources and so can be trusted. Improvements to the proposed AIS authentication scheme are identified which address a security weakness and help avoid false positives to spoofing caused by changes to message syntax. A channel loading investigation concludes that sufficient bandwidth is available to routinely authenticate all AIS messages whilst retaining backwards compatibility by carrying PKC ‘digital signatures’ in a separate VHF Data Exchange System (VDES) side channel.
TERMINAL PLEISTOCENE THROUGH MIDDLE HOLOCENE OCCUPATIONS IN SOUTHEASTERN MESOAMERICA: LINKING ECOLOGY AND CULTURE IN THE CONTEXT OF NEOTROPICAL FORAGERS AND EARLY FARMERS
Authors: Prufer Keith M. , Robinson Mark , Kennett Douglas J. 
Published: December 2021

AbstractData from rock shelters in southern Belize show evidence of tool making, hunting, and aquatic resource exploitation by 10,500 cal b.c.; the shelters functioned as mortuary sites between 7600 and 2000 cal b.c. Early Holocene contexts contain stemmed and barbed bifaces as part of a tradition found broadly throughout the neotropics. After around 6000 cal b.c., bifacial tools largely disappear from the record, likely reflecting a shift to increasing reliance on plant foods, around the same time that the earliest domesticates appear in the archaeological record in the neotropics. We suggest that people living in southern Belize maintained close ties with neighbors to the south during the Early Holocene, but lagged behind in innovating new crops and farming technologies during the Middle Holocene. Maize farming in Belize intensified between 2750–2050 cal b.c. as maize became a dietary staple, 1000–1300 years later than in South America. Overall, we argue from multiple lines of data that the Neotropics of Central and South America were an area of shared information and technologies that heavily influenced cultural developments in southeastern Mesoamerica during the Early and Middle Holocene.
GATHERING AND SOWING ACROSS THE CENTRAL MAYA LOWLANDS: A REVIEW OF PLANT USE BY PRECERAMIC PEOPLES AND THE EARLY TO MIDDLE PRECLASSIC MAYA
Authors: Cagnato Clarissa 
Published: December 2021

AbstractThe recovery of macro- and microbotanicals, along with the study of chemical residues, allows us to shed light on a number of anthropological issues concerning ancient populations. This article reviews the data available to date on the plants used by preceramic peoples during the Archaic period and by the Early to Middle Preclassic Maya across the central Maya lowlands. Archaeobotanical data suggest that early preceramic populations took advantage of their ecologically rich natural environment by gathering a range of wild foods and by cultivating domesticates such as maize, manioc, and chili peppers, a pattern that seemingly continued into the Early to Middle Preclassic, as the Maya settled into village life and left more visible traces of modifications to their natural environment in the form of canals and terraces. This region is of particular interest with regard to the development of sociopolitical complexity, as mobile hunter-gatherers used domesticates during the millennia that preceded the onset of sedentary life. These early populations set the stage for patterns of plant use that endured through time, but also across space in the Maya region.
THE PRECERAMIC AND EARLY CERAMIC PERIODS IN BELIZE AND THE CENTRAL MAYA LOWLANDS
Authors: Stemp W. James , Awe Jaime J. , Marcus Joyce , Helmke Christophe , Sullivan Lauren A. 
Published: December 2021

AbstractThis introduction to the Special Section provides a summary of our current understanding of the first humans and the first Maya in these regions and presents seven articles that examine these critical periods from varied, intersecting perspectives. The Introduction begins with a brief history of early preceramic research (primarily in northern Belize) and provides a current chronology for the Paleoindian, Archaic, and Early Preclassic periods. The Paleoindian and Archaic (ca. 11,500–900b.c.) periods are discussed in terms of the origins of the first peoples in these regions, lithic technology, subsistence, and early ritual. Next, a summary of archaeological evidence for the transition to the first villages (ca. 1200–800b.c.) is provided, with examinations of a horticultural lifestyle, the earliest ceramics, increased socio-economic complexity, new ideology and ritual practices, and developing social inequality. Proto-Mayan and Mayan languages—their dating, origin, and early lexicon—are discussed in relation to the first Maya. Material culture and language are explored with regard to conceptions of Maya culture.
The importance of actuarial management in insurance business decision-making in the twenty-first century
Authors: Espinosa Oscar , Zarruk Armando 
Published: December 2021

Abstract
This study aims to carry out and document a systematic analysis of the literature on the importance of actuarial management in insurance managerial decision-making in the twenty-first century. After a short introduction to the business context, the paper presents an analysis of a rigorous review of the literature published between the years 2000 and 2020, which highlights the benefits and challenges of the formal application of various risk management tools. The following topics are emphasized: (i) actuarial cycle control and uncertainty management, (ii) quantitative strategic risk framework and financial modelling, and (iii) enterprise risk management with a value-based approach. This work will help future researchers to gain a better understanding of, and explicitly account for, the different contributions and benefits of actuarial management in the context of managerial decision-making in an organisation.
Whose risk? Bank de-risking and the politics of interpretation and vulnerability in the Middle East and North Africa
Authors: El Taraboulsi-McCarthy Sherine 
Published: December 2021

AbstractFollowing the events of 11 September 2001, measures aimed at countering the financing of terrorism (CFT) were intensified by States. Many countries around the world adopted strict anti-money laundering and CFT regulations for the transfer of funds globally. This process increased the costs of complying with regulatory requirements and imposed high penalties on banks for non-compliance. As a result, preventive measures – often known as “de-risking” – were taken up by banks, including terminating the accounts of clients perceived as “high-risk” for money laundering or terrorist financing, and delaying transfers. These measures, however, have had negative consequences, reducing financial access for local civil society organizations in conflict-affected contexts that are deemed high-risk for terrorist activities. Drawing on five years of research to understand the impact of de-risking on conflict-affected contexts from a local perspective, this paper reflects on the local political economy of CFT, with a focus on the Middle East and North Africa. It explores two key areas of inquiry. The first of these is the politics of interpretation – how counterterrorism as a discourse and a set of practices, of which CFT is one, gets interpreted by local authorities and banks, and subsequently gets reinterpreted to the population. This also has implications for which local actors are better positioned to access funds than others, and why. The second area of inquiry is the politics of vulnerability – how the local political economy impact of CFT can increase the social and economic vulnerabilities of some groups more than others. This paper demonstrates that under the guise of “counterterrorism”, local authorities in conflict-affected contexts have used CFT to restrict the non-profit and philanthropic space and are using banking regulations to shape that space in ways that are bound to have negative medium- and long-term implications for it.
Nonlinear Enhancement of Radiative Absorption by Black Carbon in Response to Particle Mixing Structure
Authors: Wang Yuanyuan , Li Weijun , Huang Jin , Liu Lei , Pang Yuner , He Cenlin , Liu Fengshan , Liu Dantong , Bi Lei , Zhang Xiaoye , Shi Zongbo 
Published: December 2021

AbstractBlack carbon (BC) strongly absorbs solar radiation, contributing to global warming. Absorption enhancement of BC particles is difficult to quantify due to an inadequate representation of their complex morphology and mixing structures, as well as interaction with radiation. Here, we apply a 3D method accounting for detailed BC mixing structures to predict the absorption enhancement of individual BC particles (Eabs) and the total BC particle population (Eabs, bulk). The diverse range of mixing structures in individual BC particles leads to variable Eabs that could hardly be predicted by empirical approximations. We find that the volume proportion of the BC embedded in coating (F) determines Eabs when the particle to BC core diameter ratio (Dp/Dc) is larger than 2.0. Our findings reveal the potential mechanism behind the differences in observed and modeled Eabs, bulk. The framework builds a bridge connecting the microscopic mixing structure of individual BC particle with Eabs, bulk.
Soft and flexible: core-shell ionic liquid resistive memory for electronic synapses
Authors: Khan Muhammad Umair , Saqib Qazi Muhammad , Chougale Mahesh Y. , Shaukat Rayyan Ali , Kim Jungmin , Bae Jinho 
Published: December 2021

AbstractThe human brain is the most efficient computational and intelligent system, and researchers are trying to mimic the human brain using solid-state materials. However, the use of solid-state materials has a limitation due to the movement of neurotransmitters. Hence, soft memory devices are receiving tremendous attention for smooth neurotransmission due to the ion concentration polarization mechanism. This paper proposes a core-shell soft ionic liquid (IL)-resistive memory device for electronic synapses using Cu/Ag@AgCl/Cu with multistate resistive behavior. The presence of the Ag@AgCl core shell in the liquid electrolyte significantly helps to control the movement of Cu2+ ions, which results in multistate resistive switching behavior. The core-shell IL soft memory device can open a gateway for electronic synapses.
p53-mediated AKT and mTOR inhibition requires RFX7 and DDIT4 and depends on nutrient abundance
Authors: Coronel Luis , Häckes David , Schwab Katjana , Riege Konstantin , Hoffmann Steve , Fischer Martin 
Published: December 2021

AbstractIn recent years the tumor suppressor p53 has been increasingly recognized as a potent regulator of the cell metabolism and for its ability to inhibit the critical pro-survival kinases AKT and mTOR. The mechanisms through which p53 controls AKT and mTOR, however, are largely unclear. Here, we demonstrate that p53 activates the metabolic regulator DDIT4 indirectly through the regulatory factor X 7 (RFX7). We provide evidence that DDIT4 is required for p53 to inhibit mTOR complex 2 (mTORC2)-dependent AKT activation. Most strikingly, we also find that the DDIT4 regulator RFX7 is required for p53-mediated inhibition of mTORC1 and AKT. Our results suggest that AMPK activation plays no role and p53-mediated AKT inhibition is not critical for p53-mediated mTORC1 inhibition. Moreover, using recently developed physiological cell culture media we uncover that basal p53 and RFX7 activity can play a critical role in restricting mTORC1 activity under physiological nutrient conditions, and we propose a nutrient-dependent model for p53-RFX7-mediated mTORC1 inhibition. These results establish RFX7 and its downstream target DDIT4 as essential effectors in metabolic control elicited by p53.
Immune biomarkers to predict SARS-CoV-2 vaccine effectiveness in patients with hematological malignancies
Authors: Tamariz-Amador Luis-Esteban , Battaglia Anna Martina , Maia Catarina , Zherniakova Anastasiia , Guerrero Camila , Zabaleta Aintzane , Burgos Leire , Botta Cirino , Fortuño Maria-Antonia , Grande Carlos , Manubens Andrea , Arguiñano Jose-Maria , Gomez Clara , Perez-Persona Ernesto , Olazabal Iñigo , Oiartzabal Itziar , Panizo Carlos , Prosper Felipe , San-Miguel Jesus F. , Rodriguez-Otero Paula , Martín-Sánchez Esperanza , Paiva Bruno ,   The Asociación Vasco-Navarra de Hematología y Hemoterapia (ASOVASNA) Cooperative Group
Published: December 2021

AbstractThere is evidence of reduced SARS-CoV-2 vaccine effectiveness in patients with hematological malignancies. We hypothesized that tumor and treatment-related immunosuppression can be depicted in peripheral blood, and that immune profiling prior to vaccination can help predict immunogenicity. We performed a comprehensive immunological characterization of 83 hematological patients before vaccination and measured IgM, IgG, and IgA antibody response to four viral antigens at day +7 after second-dose COVID-19 vaccination using multidimensional and computational flow cytometry. Health care practitioners of similar age were the control group (n = 102). Forty-four out of 59 immune cell types were significantly altered in patients; those with monoclonal gammopathies showed greater immunosuppression than patients with B-cell disorders and Hodgkin lymphoma. Immune dysregulation emerged before treatment, peaked while on-therapy, and did not return to normalcy after stopping treatment. We identified an immunotype that was significantly associated with poor antibody response and uncovered that the frequency of neutrophils, classical monocytes, CD4, and CD8 effector memory CD127low T cells, as well as naive CD21+ and IgM+D+ memory B cells, were independently associated with immunogenicity. Thus, we provide novel immune biomarkers to predict COVID-19 vaccine effectiveness in hematological patients, which are complementary to treatment-related factors and may help tailoring possible vaccine boosters.
Risk of non-Hodgkin lymphoma in breast cancer survivors: a nationwide cohort study
Authors: Kang Danbee , Yoon Sang Eun , Shin Dongwook , Lee Jin , Hong Yun Soo , Lee Se Kyung , Lee Jeong Eon , Park Yeon Hee , Ahn Jin Seok , Guallar Eliseo , Kim Won Seog , Lee Jungho , Kim Seok Jin , Cho Juhee 
Published: December 2021

AbstractSeveral studies have suggested that estrogens have a protective function against lymphomagenesis. The treatment of breast cancer is driven by subtype classification, and the assessment of hormone receptor status is important for treatment selection. Thus, we evaluated the association between breast cancer and the incidence of NHL. We conducted a retrospective cohort study using a population-based nationwide registry in South Korea. We selected all women with newly diagnosed breast cancer between January 1st, 2002 and December 31st, 2016 who received curative treatment (N = 84,969) and a 1:10 sample of age-matched non-breast cancer controls (N = 1,057,674). Incident breast cancer (time-varying exposure) was the exposure and development of any type of NHL, including diffuse large B-cell lymphoma (DLBCL), follicular lymphoma (FL), mature T/NK-cell lymphomas, anaplastic large cell lymphoma (ALCL), and unspecified types of NHL, was the outcome. During follow-up, 1564 incident cases of NHL occurred. The fully adjusted Hazard Ratio (HR) for NHL associated with the development of breast cancer was 1.64 (95% CI = 1.34–2.00) after adjusting for body mass index, alcohol intake, physical activity, smoking, income, and comorbidity. The adjusted HR for NHL was much higher in participants who were aged <50 years and who received hormone therapy (either tamoxifen or aromatase inhibitors) than in those ≥50 years or who did not receive hormone therapy, respectively. The development of breast cancer was associated with a significantly increased risk of NHL, particularly follicular lymphoma and mature T/NK-cell lymphoma. In particular, the risk of NHL was higher in patients receiving hormone therapy and in younger patients.