bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct Deoxydehydration of Cyclic trans‐Diol Substrates: An Experimental and Computational Study of the Reaction Mechanism of Vanadium(V)‐based Catalysis**
Authors: Aksanoglu Ebru , Lim Yee Hwee , Bryce Richard A. 
Published: January 2021

AbstractThe deoxydehydration of carbohydrates represents a key target to leverage renewable biomass resources chemically. Using a vanadium(V)‐based catalyst, it was possible to directly deoxydehydrate cyclic trans‐diol substrates. Accompanying mechanistic characterisation of this process by density functional calculations pointed to an energetically tractable route for deoxydehydration of cyclic trans‐diol substrates involving stepwise cleavage of the diol C−O bonds via the triplet state; experimentally, this was supported by light dependence of the reaction. Calculations also indicated that cyclic cis‐diols and a linear diol substrate could additionally proceed by a concerted singlet DODH mechanism. This work potentially opens a new and cost‐effective way to efficiently convert carbohydrates of trans‐diol stereochemistry into alkenes.
A transnational perspective on the evolution of the synthetic cannabinoid receptor agonists market: Comparing prison and general populations
Authors: Norman Caitlyn , Halter Sebastian , Haschimi Belal , Acreman Dean , Smith Josie , Krotulski Alex J. , Mohr Amanda L.A. , Logan Barry K. , NicDaéid Niamh , Auwärter Volker , McKenzie Craig 
Published: January 2021

AbstractThe synthetic cannabinoid receptor agonist (SCRA) market is transnational, and the availability of individual SCRAs changes regularly in response to national and international legislative controls. This generates a cyclic pattern and near constant evolution of SCRA compounds. This study reports toxicology‐based and/or seized sample‐based prevalence data relating to SCRA use in prisons from Germany, the United Kingdom (UK; Scotland and Wales), and the United States (US), representing 4427 individual test results. The study examines SCRA detections in prisons from July 2018 to September 2020, and where possible, prison‐based data are compared with SCRA prevalence data in the wider population. The relative influence of Chinese, other international, and national drug legislation on the prevalence of individual SCRAs in prisons is also considered. tert‐Leucinate‐ and valinate‐indole‐ and indazole‐3‐carboxamides were the most common SCRA detections, and MDMB‐4en‐PINACA was one of the most commonly detected SCRAs in all jurisdictions by September 2020. However, despite there being a global production and supply market, there were notable regional differences. Analog controls in German and US legislation may have led to increased compound diversity that is not reflected in the UK which has both analog controls and a blanket ban on psychoactive substances. While there were regional differences, SCRA prevalence in prisons closely aligned with the SCRAs detected on the local market, demonstrating that SCRA (and possibly other NPS) monitoring programs in prisons can act as early warning systems for the wider population in that given jurisdiction.
The Ethics of Research That May Disadvantage Others
Authors: Robertson Christopher 
Published: January 2021

ABSTRACTIn prospective interventional research, a treatment may provide an advantage for the recipient over other people who do not receive it. If the intervention proves successful, the treated are better able to compete for such things as a scarce ventilator, a class grade, or a litigation outcome, potentially risking the deaths, jobs, or incomes of nontreated persons. Discussions of ethical concerns related to “bystanders” have typically focused on direct harms (such as infecting them with a virus), rather than the competition for a rivalrous good (such as a ventilator or clinical outcome). After broadly scoping this problem of advantage, this article reveals several reasons that such interventional research is typically permissible, notwithstanding the potential setbacks to nonparticipants. I consider the almost‐dispositive concept of clinical equipoise and then glean insights from the harm principle, status quo bias, the leveling‐down problem, and a potential bias against prospective interventional research versus program interventions with retrospective study. My consideration of institutional relationships does not change the analysis that such research is permissible.
Genetic response to human‐induced habitat changes in the marine environment: A century of evolution of European sprat in Landvikvannet, Norway
Authors: Quintela María , Richter‐Boix Àlex , Bekkevold Dorte , Kvamme Cecilie , Berg Florian , Jansson Eeva , Dahle Geir , Besnier François , Nash Richard D. M. , Glover Kevin A. 
Published: January 2021

AbstractHabitat changes represent one of the five most pervasive threats to biodiversity. However, anthropogenic activities also have the capacity to create novel niche spaces to which species respond differently. In 1880, one such habitat alterations occurred in Landvikvannet, a freshwater lake on the Norwegian coast of Skagerrak, which became brackish after being artificially connected to the sea. This lake is now home to the European sprat, a pelagic marine fish that managed to develop a self‐recruiting population in barely few decades. Landvikvannet sprat proved to be genetically isolated from the three main populations described for this species; that is, Norwegian fjords, Baltic Sea, and the combination of North Sea, Kattegat, and Skagerrak. This distinctness was depicted by an accuracy self‐assignment of 89% and a highly significantFSTbetween the lake sprat and each of the remaining samples (average of ≈0.105). The correlation between genetic and environmental variation indicated that salinity could be an important environmental driver of selection (3.3% of the 91 SNPs showed strong associations). Likewise, Isolation by Environment was detected for salinity, although not for temperature, in samples not adhering to an Isolation by Distance pattern. Neighbor‐joining tree analysis suggested that the source of the lake sprat is in the Norwegian fjords, rather than in the Baltic Sea despite a similar salinity profile. Strongly drifted allele frequencies and lower genetic diversity in Landvikvannet compared with the Norwegian fjords concur with a founder effect potentially associated with local adaptation to low salinity. Genetic differentiation (FST) between marine and brackish sprat is larger in the comparison Norway‐Landvikvannet than in Norway‐Baltic, which suggests that the observed divergence was achieved in Landvikvannet in some 65 generations, that is, 132 years, rather than gradually over thousands of years (the age of the Baltic Sea), thus highlighting the pace at which human‐driven evolution can happen.
Rise and fall of †Pycnodontiformes: Diversity, competition and extinction of a successful fish clade
Authors: Cawley John J. , Marramà Giuseppe , Carnevale Giorgio , Villafaña Jaime A. , López‐Romero Faviel A. , Kriwet Jürgen 
Published: January 2021

Abstract†Pycnodontiformes was a successful lineage of primarily marine fishes that broadly diversified during the Mesozoic. They possessed a wide variety of body shapes and were adapted to a broad range of food sources. Two other neopterygian clades possessing similar ecological adaptations in both body morphology (†Dapediiformes) and dentition (Ginglymodi) also occurred in Mesozoic seas. Although these groups occupied the same marine ecosystems, the role that competitive exclusion and niche partitioning played in their ability to survive alongside each other remains unknown. Using geometric morphometrics on both the lower jaw (as constraint for feeding adaptation) and body shape (as constraint for habitat adaptation), we show that while dapediiforms and ginglymodians occupy similar lower jaw morphospace, pycnodontiforms are completely separate. Separation also occurs between the clades in body shape so that competition reduction between pycnodontiforms and the other two clades would have resulted in niche partitioning. Competition within pycnodontiforms seemingly was reduced further by evolving different feeding strategies as shown by disparate jaw shapes that also indicate high levels of plasticity. Acanthomorpha was a teleostean clade that evolved later in the Mesozoic and which has been regarded as implicated in driving the pycnodontiforms to extinction. Although they share similar body shapes, no coeval acanthomorphs had similar jaw shapes or dentitions for dealing with hard prey like pycnodontiforms do and so their success being a factor in pycnodontiform extinction is unlikely. Sea surface temperature and eustatic variations also had no impact on pycnodontiform diversity patterns according to our results. Conversely, the occurrence and number of available reefs and hardgrounds as habitats through time seems to be the main factor in pycnodontiform success. Decline in such habitats during the Late Cretaceous and Palaeogene might have had deleterious consequences for pycnodontiform diversity. Acanthomorphs occupied the niches of pycnodontiforms during the terminal phase of their existence.
Frequency‐dependent tree growth depends on climate
Authors: Diez Jeffrey M. , Boone Rohan , Bohner Teresa , Godoy Oscar 
Published: January 2021

AbstractClimate and competition interact to affect species’ performance, such as growth and survival, and help determine species distributions and coexistence. However, it is unclear how climatic conditions modulate frequency‐dependent performance, that is, how performance changes as a species becomes locally rare or common. This is critical because declines in performance as a species becomes more common (negative frequency dependence) is a signature of niche differences among species that stabilize coexistence, whereas positive frequency dependence leads to priority effects and hampers species coexistence. Here, we used dendrochronology and hierarchical models to test whether frequency‐dependent growth of sugar pine (Pinus lambertiana) depends on climatic conditions. We found that growth rates were strongly dependent on annual precipitation, but no frequency dependence was evident across all years. However, there was a strong interaction between precipitation and frequency dependence, revealing stabilizing niche differences in dry years but positive frequency dependence in wet years. These differences emerged because of precipitation‐driven changes in the direction and strength of both con‐ and heterospecific competition. Overall, these results show how stabilizing and destabilizing effects can be temporally dynamic for long‐lived species and interact with climate variation.
Real‐world outcomes in cardiac resynchronization therapy patients: design and baseline demographics of the SMART‐ Registry
Authors: Gardner Roy S. , D'Onofrio Antonio , Mark George , Gras Daniel , Hu Yan , Veraghtert Sara , Garcia‐Bolao Ignacio 
Published: January 2021

AbstractAimsThe SMART (Strategic MAnagement to optimize response to cardiac Resynchronization Therapy) Registry was designed to assess real‐world outcomes for patients receiving a cardiac resynchronization therapy defibrillator (CRT‐D) and to better understand which programming and optimization techniques are used and how effective they are.Methods and resultsThe SMART Registry is a global, multicentre, prospective, observational, post‐market CRT‐D registry with a planned enrolment of 2000 subjects from a maximum of 200 sites in Europe, North America, and Asia‐Pacific region. Each subject will be followed up for a minimum of 12 months. The primary endpoint of CRT response rate at 12 months is defined by a clinical composite score of all‐cause mortality, heart failure events, New York Heart Association Class, and quality of life as assessed by a patient global assessment instrument. A subgroup composed of the first 103 consecutive European subjects implanted with an NG4 device will have left ventricular multisite pacing feature enabled at any time during the initial 12 months of follow‐up. The primary endpoint for this sub‐analysis will be the NG4 PG‐related complication‐free rate at 36 months.ConclusionsThe SMART Registry achieved its recruitment target in August 2019, with 2014 patients enrolled. The baseline demographics demonstrated that patients were generally older, with greater co‐morbidity, and on more contemporary medical therapy than in the key CRT trials. The results of the SMART Registry will determine which programming and optimization techniques are effective in this real‐world population.
The impact of COVID‐19 on the management of heart failure: a United Kingdom patient questionnaire study
Authors: Sankaranarayanan Rajiv , Hartshorne‐Evans Nick , Redmond‐Lyon Sam , Wilson Jill , Essa Hani , Gray Alastair , Clayton Louise , Barton Carys , Ahmed Fozia Z. , Cunnington Colin , Satchithananda Duwarakan K. , Murphy Clare L. 
Published: January 2021

AbstractAimsThe coronavirus disease 2019 (COVID‐19) pandemic has created significant challenges to healthcare globally, necessitating rapid restructuring of service provision. This questionnaire survey was conducted amongst adult heart failure (HF) patients in the United Kingdom (UK), to understand the impact of COVID‐19 upon HF services.Methods and resultsThe survey was conducted by the Pumping Marvellous Foundation, a UK HF patient charity. ‘Survey Monkey’ was used to disseminate the questionnaire in the Pumping Marvellous Foundation 's online patient group and in 10 UK hospitals (outpatient hospital and community HF clinics). There were 1050 responses collected (693/1050—66% women); 55% (579/1050) were aged over 60 years. Anxiety level was significantly higher regarding COVID‐19 (mean 7 ± 2.5 on anxiety scale of 0 to 10) compared with anxiety regarding HF (6.1 ± 2.4; P < 0.001). Anxiety was higher amongst patients aged ≤60 years about HF (6.3 ± 2.2 vs. 5.9 ± 2.5 in those aged >60 years; P = 0.005) and COVID‐19 (7.3 ± 2.3 vs. 6.7 ± 2.6 those aged >60 years; P < 0.001). Sixty‐five per cent of respondents (686/1050) reported disruption to HF appointments (cancellation or postponement) during the lockdown period. Thirty‐seven per cent reported disruption to medication prescription services, and Thirty‐four per cent reported inability to access their HF teams promptly. Thirty‐two per cent expressed reluctance to attend hospital (25% stated they would only attend hospital if there was no alternative, and 7% stated that they would not attend hospital at all).ConclusionsThe COVID‐19 pandemic has caused significant anxiety amongst HF patients regarding COVID‐19 and HF. Cancellation or postponement of scheduled clinic appointments, investigations, procedures, prescription, and monitoring services were implicated as sources of anxiety.
Visible Light‐Driven Efficient Synthesis of Amides from Alcohols using Cu−N−TiO2 Heterogeneous Photocatalyst
Authors: Singha Krishnadipti , Ghosh Subhash Chandra , Panda Asit Baran 
Published: January 2021

AbstractAmides were synthesized from alcohols and amines in high yields using an in situ generated active ester of N‐hydroxyimide with our developed Cu−N−TiO2 catalyst at room temperature using oxygen as a sole oxidant under visible light. The catalyst can be easily prepared, robust, and recycled four times without a considerable change in catalytic activity. This developed protocol applies to a wide substrate scope and has good functional group tolerance. The application of this amidation reaction has been successfully demonstrated for the synthesis of moclobemide, an antidepressant drug, and an analog of the itopride drug on a gram scale.
Synthesis of Enantiopure 6,11‐Methylene Lipoxin B4 Methyl Ester
Authors: Trippe Lukas , Nava Analuisa , Frank Andrea , Nubbemeyer Udo 
Published: January 2021

AbstractThe synthesis of Lipoxin B4 analogs (LXB4) to gain access to stabilized inflammation resolving compounds is an actual field of research. Focusing on variation and stabilization of the conjugated E,Z,E,E C6–C13 tetraene moiety of natural LXB4, a methylene bridge introduced between C6 and C11 suppresses any Z/E isomerization of the C8–C9 olefin. Intending to enable prospective structure variations in connection with the C1–C5 and C14–C20 fragments, a convergent total synthesis has been developed. Optically active C1–C12 building blocks were build‐up from cycloheptatriene 1‐carbonester (C6–C11, C21) and glutaryl chloride (C1–C5) using Friedel‐Crafts‐type acylation and chiral HPLC. The C13–C20 segment had been generated via a five‐step sequence starting from heptanoyl chloride. Horner key olefination enabled the assembly of the carbon backbone. A final five‐step sequence including a chelate Cram reduction of the unsaturated ketone moiety afforded the target 6,11‐methylene LXB4 methyl ester.
Food ingredients and food made with plant cell and tissue cultures: State‐of‐the art and future trends
Authors: Gubser Geraldine , Vollenweider Sabine , Eibl Dieter , Eibl Regine 
Published: January 2021

AbstractClimate change and an increasing world population means traditional farming methods may not be able to meet the anticipated growth in food demands. Therefore, alternative agricultural strategies should be considered. Here, plant cell and tissue cultures (PCTCs) may present a possible solution, as they allow for controlled, closed and sustainable manufacturing of extracts which have been or are still being used as colorants or health food ingredients today. In this review we would like to highlight developments and the latest trends concerning commercial PCTC extracts and their use as food ingredients or even as food. The commercialization of PCTC‐derived products, however, requires not only regulatory approval, but also outstanding product properties or/and a high product titer. If these challenges can be met, PCTCs will become increasingly important for the food sector in coming years.
A configuration optimization framework for renewable energy systems integrating with electric‐heating energy storage in an isolated tourist area
Authors: Lingmin Chen , Jiekang Wu , Changjie Li , Huiling Tang , Xiaoming Mao , Kangxing Li 
Published: January 2021

AbstractThe renewable energy system integrates various power generating units, heating units, energy conversion devices, and energy storage devices, which is an effective way to improve energy efficiency and realize clean energy utilization. In this paper, a renewable energy system integrating with photovoltaic electric power generation systems, wind‐driven generators, gas‐driven generators, gas‐fired boilers, electric chillers, electric and heating energy storage devices is constructed in an isolated tourist area. Considering the complex multi‐energy flows in renewable energy systems, an energy hub with power and heat is established to concentrate and distribute electric and heating energy flow for balancing energy supply and demand in a CCHP system. Introducing the constraints of renewable energy penetration index and energy supply reliability index, a collaborative optimization framework for system configuration is constructed to minimize annual capital cost, fuel cost, and maintenance cost. The simulation results show that the model and algorithm in this paper are feasible and applicable, and the optimization scheme has good economic benefits and optimal performance, which can promote the consumption of renewable energy and reduce the surplus of electric energy and heat energy.
Toxicity Screening of Bisphenol A Replacement Compounds: Cytotoxicity and mRNA Expression in Primary Hepatocytes of Chicken and Double-Crested Cormorant
Authors: Sharin Tasnia , Williams Kim L. , Chiu Suzanne , Crump Doug , O'Brien Jason M. 
Published: January 2021

Abstract
A market for bisphenol A (BPA) replacement compounds has emerged as a result of restrictions on the use of BPA. Some of these compounds have been detected in the environment; however, little is known about their toxicological properties. In the present study, an avian in vitro toxicogenomic approach was used to compare the effects of 5 BPA alternatives. Cell viability and mRNA expression were compared in primary embryonic hepatocytes of chicken (CEH) and double-crested cormorant (DCEH) exposed to 4,4′-(propane-2,2-diyl) diphenol (BPA), bis (4-hydroxyphenyl) methane (BPF), bis (3-allyl-4-hydroxyphenyl) sulfone (TGSH), 7-bis (4-hydroxyphenylthio)-3,5-dioxaheptane (DD-70), 2,2-bis (4-hydroxyphenyl) hexafluoropropane (BPAF), and 4-hydroxyphenyl 4-isoprooxyphenylsulfone (BPSIP). Changes in gene expression were determined using 2 polymerase chain reaction (PCR) arrays: 1) species-specific ToxChips that contain genes representing toxicologically relevant pathways, and 2) chicken-specific AestroChip that measures estrogen responsive genes. In CEH and DCEH, BPA alternatives TGSH, DD-70, and BPAF were most cytotoxic. Some of the replacement compounds changed the expression of genes related to xenobiotic metabolism, bile acid, and cholesterol regulation. The rank order based on the number of genes altered on the chicken ToxChip array was TGSH &gt; DD-70 &gt; BPAF = BPF &gt; 17β estradiol (E2) &gt; BPSIP &gt; BPA. On the cormorant ToxChip array, BPSIP altered the greatest number of genes. Based on the chicken AestroChip data, BPSIP and BPF were slightly estrogenic. These results suggest that the replacement compounds have comparable or even greater toxicity than BPA and act via different mechanisms. Environ Toxicol Chem 2021;40:1368–1378. © 2021 Her Majesty the Queen in Right of Canada. Reproduced with the permission of the Minister of Environment and Climate Change Canada.
Abstract
Effects of 5 bisphenol A replacements on cytotoxicity and gene expression in avian hepatocytes. BPA = bisphenol A; BPF = bis (4-hydroxyphenyl) methane; TGSH = bis (3-allyl-4-hydroxyphenyl) sulfone; DD-70 = 7-bis (4-hydroxyphenylthio)-3,5-dioxaheptane; BPAF = 2,2-bis (4-hydroxyphenyl) hexafluoropropane; BPSIP = 4-hydroxyphenyl 4-isoprooxyphenylsulfone; E2 = 17β estradiol; PCR = polymerase chain reaction.
Synergistic effects of copper and ethylene on resveratrol synthesis in peanuts
Authors: Bao Xuefeng , Lin Guolin , Dong Xuan , Ma Xinyu , Han Xiaori , Zhang Hui 
Published: January 2021

AbstractThis study aimed to investigate the effects of exogenous copper and ethylene on resveratrol biosynthesis in peanut buds. In this study, different concentrations of copper sulfate and ethephon were used to induce peanut bud roots. Resveratrol content was determined using high‐performance liquid chromatography (HPLC). The interaction effects of the two inducers were analyzed using regression and response surface methodology. Results showed that resveratrol biosynthesis increased with the increase in copper sulfate concentration. Resveratrol synthesis showed an increasing trend when the concentration of ethephon was from 5 to 7 mmol/L. The resveratrol content reached a maximum value of 7.7 μg/g when the concentration of ethephon was 7 mmol/L and then decreased with an increase in ethephon. Response surface analysis revealed that the combination of 0.1 mmol/L copper sulfate and 5 mmol/L ethephon was effective and resulted in the induction of resveratrol biosynthesis in peanut buds.