bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rotational Spectroscopy of 2‐Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling
Authors: Insausti Aran , Ma Jiarui , Yang Qian , Xie Fan , Xu Yunjie 
Published: April 2022

AbstractStructural and tunneling properties of the 2‐furoic acid (FA) monomer and dimer were investigated using rotational spectroscopy and DFT calculations. CREST, a conformational ensemble space exploration tool, was used to identify all possible low‐energy conformations of the FA monomer and dimer, followed by the DFT geometry optimization and harmonic frequency calculations. Broadband rotational spectra in the 2–6 and 8–12 GHz regions were recorded in a supersonic jet expansion. The monomeric FA was found to exist dominantly as three different conformers:I,II, andIIIin a jet, withIandIItaking on thecis‐COOH configuration whileIIIhaving thetrans‐COOH configuration. For the FA dimer, only theI–IIconformer was observed experimentally, whereas the symmetricI–IandII–IIconformers were not observed because of their zero dipole moments. The analysis of the splittings in the rotational transitions ofI–IIallowed one to extract the tunneling splitting to be 1056.0(12) MHz. The barrier height was determined to be ∼442 cm−1using the scaled potential energy scans at several different levels of theory.
A comparison of monitoring designs to assess wildlife community parameters across spatial scales
Authors: Wright Alexander D. , Campbell Grant Evan H. , Zipkin Elise F. 
Published: April 2022

AbstractDedicated long‐term monitoring at appropriate spatial and temporal scales is necessary to understand biodiversity losses and develop effective conservation plans. Wildlife monitoring is often achieved by obtaining data at a combination of spatial scales, ranging from local to broad, to understand the status, trends, and drivers of individual species or whole communities and their dynamics. However, limited resources for monitoring necessitates tradeoffs in the scope and scale of data collection. Careful consideration of the spatial and temporal allocation of finite sampling effort is crucial for monitoring programs that span multiple spatial scales. Here we evaluate the ability of five monitoring designs—stratified random, weighted effort, indicator unit, rotating panel, and split panel—to recover parameter values that describe the status (occupancy), trends (change in occupancy), and drivers (spatially varying covariate and an autologistic term) of wildlife communities at two spatial scales. Using an amphibian monitoring program that spans a network of US national parks as a motivating example, we conducted a simulation study for a regional community occupancy sampling program to compare the monitoring designs across varying levels of sampling effort (ranging from 10% to 50%). We found that the stratified random design outperformed the other designs for most parameters of interest at both scales and was thus generally preferable in balancing the estimation of status, trends, and drivers across scales. However, we found that other designs had improved performance in specific situations. For example, the rotating panel design performed best at estimating spatial drivers at a regional level. Thus, our results highlight the nuanced scenarios in which various design strategies may be preferred and offer guidance as to how managers can balance common tradeoffs in large‐scale and long‐term monitoring programs in terms of the specific knowledge gained. Monitoring designs that improve accuracy in parameter estimates are needed to guide conservation policy and management decisions in the face of broad‐scale environmental challenges, but the preferred design is sensitive to the specific objectives of a monitoring program.
Exosymbiotic microbes within fermented pollen provisions are as important for the development of solitary bees as the pollen itself
Authors: Dharampal Prarthana S. , Danforth Bryan N. , Steffan Shawn A. 
Published: April 2022

Abstract

Developing bees derive significant benefits from the microbes present within their guts and fermenting pollen provisions. External microbial symbionts (exosymbionts) associated with larval diets may be particularly important for solitary bees that suffer reduced fitness when denied microbe‐colonized pollen.

To investigate whether this phenomenon is generalizable across foraging strategy, we examined the effects of exosymbiont presence/absence across two solitary bee species, a pollen specialist and generalist. Larvae from each species were reared on either microbe‐rich natural or microbe‐deficient sterilized pollen provisions allocated by a female forager belonging to their own species (conspecific‐sourced pollen) or that of another species (heterospecific‐sourced pollen). Our results reveal that the presence of pollen‐associated microbes was critical for the survival of both the generalist and specialist larvae, regardless of whether the pollen was sourced from a conspecific or heterospecific forager.

Given the positive effects of exosymbiotic microbes for larval fitness, we then examined if the magnitude of this benefit varied based on whether the microbes were provisioned by a conspecific forager (the mother bee) or a heterospecific forager. In this second study, generalist larvae were reared only on microbe‐rich pollen provisions, but importantly, the sources (conspecific versus heterospecific) of the microbes and pollen were experimentally manipulated.

Bee fitness metrics indicated that microbial and pollen sourcing both had significant impacts on larval performance, and the effect sizes of each were similar. Moreover, the effects of conspecific‐sourced microbes and conspecific‐sourced pollen were strongly positive, while that of heterospecific‐sourced microbes and heterospecific‐sourced pollen, strongly negative.

Our findings imply that not only is the presence of exosymbionts critical for both specialist and generalist solitary bees, but more notably, that the composition of the specific microbial community within larval pollen provisions may be as critical for bee development as the composition of the pollen itself.
Integrating growth and survival models for flexible estimation of size‐dependent survival in a cryptic, endangered snake
Authors: Rose Jonathan P. , Kim Richard , Schoenig Elliot J. , Lien Patrick C. , Halstead Brian J. 
Published: April 2022

AbstractEstimates of demographic rates for animal populations and individuals have many applications for ecological and conservation research. In many animals, survival is size‐dependent, but estimating the form of the size–survival relationship presents challenges. For elusive species with low recapture rates, individuals’ size will be unknown at many points in time. Integrating growth and capture–mark–recapture models in a Bayesian framework empowers researchers to impute missing size data, with uncertainty, and include size as a covariate of survival, capture probability, and presence on‐site. If there is no theoretical expectation for the shape of the size–survival relationship, spline functions can allow for fitting flexible, data‐driven estimates. We use long‐term capture–mark–recapture data from the endangered San Francisco gartersnake (Thamnophis sirtalis tetrataenia) to fit an integrated growth–survival model. Growth models showed that females reach longer asymptotic lengths than males and that the magnitude of sexual size dimorphism differed among populations. The capture probability and availability of San Francisco gartersnakes for capture increased with snout–vent length. The survival rate of female snakes exhibits a nonlinear relationship with snout–vent length (SVL), with survival flat between 300 mm and 550 mm SVL before decreasing for females between 550 mm and 700 mm SVL. For male snakes, survival decreased for adult males >550 mm SVL. The survival rates of the smallest and largest San Francisco gartersnakes were highly uncertain because recapture rates were very low for these sizes. By integrating growth and survival models and using penalized splines, we found support for size‐dependent survival in San Francisco gartersnakes. Our results have applications for devising management activities for this endangered subspecies, and our methods could be applied broadly to the study of size‐dependent demography among animals.
Main roads and land cover shaped the genetic structure of a Mediterranean island wild boar population
Authors: Lecis Roberta , Dondina Olivia , Orioli Valerio , Biosa Daniela , Canu Antonio , Fabbri Giulia , Iacolina Laura , Cossu Antonio , Bani Luciano , Apollonio Marco , Scandura Massimo 
Published: April 2022

AbstractPatterns of genetic differentiation within and among animal populations might vary due to the simple effect of distance or landscape features hindering gene flow. An assessment of how landscape connectivity affects gene flow can help guide management, especially in fragmented landscapes. Our objective was to analyze population genetic structure and landscape genetics of the native wild boar (Sus scrofa meridionalis) population inhabiting the island of Sardinia (Italy), and test for the existence of Isolation‐by‐Distance (IBD), Isolation‐by‐Barrier (IBB), and Isolation‐by‐Resistance (IBR). A total of 393 Sardinian wild boar samples were analyzed using a set of 16 microsatellite loci. Signals of genetic introgression from introduced non‐native wild boars or from domestic pigs were revealed by a Bayesian cluster analysis including 250 reference individuals belonging to European wild populations and domestic breeds. After removal of introgressed individuals, genetic structure in the population was investigated by different statistical approaches, supporting a partition into five discrete subpopulations, corresponding to five geographic areas on the island: north‐west (NW), central west (CW), south‐west (SW), north‐central east (NCE), and south‐east (SE). To test the IBD, IBB, and IBR hypotheses, we optimized resistance surfaces using genetic algorithms and linear mixed‐effects models with a maximum likelihood population effects parameterization. Landscape genetics analyses revealed that genetic discontinuities between subpopulations can be explained by landscape elements, suggesting that main roads, urban settings, and intensively cultivated areas are hampering gene flow (and thus individual movements) within the Sardinian wild boar population. Our results reveal how human‐transformed landscapes can affect genetic connectivity even in a large‐sized and highly mobile mammal such as the wild boar, and provide crucial information to manage the spread of pathogens, including the African Swine Fever virus, endemic in Sardinia.
Characteristics and outcomes of patients admitted for acute heart failure in a single‐centre study
Authors: Dokoupil Jiří , Hrečko Juraj , Čermáková Eva , Adamcová Michaela , Pudil Radek 
Published: April 2022

AbstractAimsAcute heart failure represents a medical condition with very high mortality. Accurate risk stratification can help physicians to improve the health care about these patients. The aim of our study was to characterize real‐life patients admitted for acute heart failure in a specific region with one tertiary medical centre and to describe risk factors of short‐term and long‐term mortality.Methods and resultsWe performed a retrospective analysis of patients admitted from January 2017 to December 2017 to Department of cardiology of the tertiary medical centre University Hospital in Hradec Kralove. We identified 385 patients admitted for acute heart failure to the standard care and intensive care unit. The median of age was 74 years (IQR 67.5–80) and 34% of patients were female. Hospital admission was due to de novo heart failure in 222 (57.7%) patients. The most common comorbidities were arterial hypertension (77.7%), dyslipidaemia (67.3%) and coronary artery disease (63.1%). Coronary artery disease (52.7% of cases) and valve disease (28.1% of cases) were the most common aetiologies of heart failure. The all‐cause in‐hospital mortality was 12.7%, 30‐day mortality was 14.6% and 1 year mortality was 34%. Among risk factors of in‐hospital mortality, the most significant factors were haemodialysis during the hospitalization [odds ratio (OR) 15.82, 95% confidence interval (CI) 2.96–84.57, P = 0.0008], chronic heart failure (OR 4.27, 95% CI 1.66–11.03, P = 0.001) and STEMI as a precipitating factor of heart failure (OR 4.19, 95% CI 1.23–14.25, P = 0.023). Haemodialysis during the hospitalization (OR 4.28, 95% CI 1.17–15.61, P = 0.025) and the comorbidity depression and anxiety (OR 3.49, 95% CI 1.45–8.39, P = 0.005) were the most significant risk factors of long‐term mortality.ConclusionsOur study confirms very high mortality rates among patients with acute heart failure underlying poor prognosis of these patients. Comorbidities (peripheral artery disease, atrial fibrillation, chronic heart failure and depression and anxiety), precipitating factors of heart failure (myocardial infarction with ST segment elevation), complications occurring during the hospitalization (acute kidney injury, pulmonary ventilation for respiratory failure and haemodialysis) and the age of patients should be included in the risk stratification of in‐hospital, 30 day and 1 year mortality.
Planar Chiral Pseudo‐Isocoumarins by Copper Catalysed Desymmetrisation
Authors: Wright Adam J. , McMartin Fiona J. , Dyer Liam G. , Sayer Lloyd H. , Bulman Page Philip C. , Stephenson G. Richard 
Published: April 2022

AbstractA new copper catalysed desymmetrisation reaction of bisalkynyl ferrocenecarboxylic acids using (R,R)‐Ph‐Pybox results in the first asymmetric synthesis of planar chiral pseudo‐isocoumarins in up to 64 % enantiomeric excess and up to 99 % yield with complete regioselectivity. Tri‐functionalised planar chiral ferrocenes are synthesised in five steps from commercially available materials, without the need for traditional directing group chemistry via an easily diversified route exploiting the double Sonogashira coupling reaction. The absolute configuration of the chiral heterocycles is proven by chemical correlation and circular dichroism spectroscopy giving the asymmetric reaction synthetic utility and opening the way for the rational extension of this method to produce bioactive isocoumarin‐fused ferrocene derivatives.
Sterols and Triterpene Dialcohols in Virgin Olive Oil: A Comprehensive Study on Their Transition from Fruits Depending on Malaxation Conditions and Ripening Degree
Authors: Aydin Sedef , Ozkan Gulcan , Yorulmaz Asli 
Published: April 2022

AbstractSterols are important minor constituents of the unsaponifiable fraction of virgin olive oil. They have critical roles in determining the authenticity of the oil and they are known to be affected by process conditions and maturity. Here, optimization of the malaxation temperatures at between 21 and 49 °C and times at between 24 and 66 min by response surface methodology is aimed in terms of oil yield, and contents of individual sterols and triterpene dialcohols of oils from olives at three maturity stages (spotted, purple, black). Results show that the amount of sterols is varied in different extents depending on the malaxation conditions as well as maturity stages. Mathematical models display high prediction performance to explain the variation in the studied responses of apparent β‐sitosterol, total sterol, β‐sitosterol, campesterol, and stigmasterol for all maturity stages. The optimum conditions of malaxation temperature and time are 31 °C/44 min, 36 °C/26 min, and 37 °C/24 min from spotted, purple, and black fruits, respectively. In end, this study proves transition to the highest desired sterols with oil yield, and the lowest undesired sterols and triterpene dialcohols from fruits to oil by malaxating at moderate temperatures, not cold and hot pressing.Practical applications: Sterols and triterpene dialcohols make up a large part of the minor components of olive oil. This group has gained high importance, especially after their significant impacts on the authenticity of olive oil. Sterolic content and triterpene dialcohols of olive oil depend especially on the fruit's maturity and processing methods. Malaxation temperature and time were optimized to achieve the transferability of the highest desired sterols and the lowest undesired sterols and triterpene dialcohols according to limits of the Commission Regulation (EEC). The current study was also evaluated by the change of total sterol content and individual sterol and triterpene diols profile of oils obtained from olives at different maturity stages. The optimized malaxation conditions are successful to achieve goals. Overall, it can be stated that olive oils with high desired sterols and low triterpene diols and undesired sterols in terms of EEC limits are economically precious.
Directed Crosslinking of RNA by Glutathione‐Triggered PNA‐Quinone‐Methide‐Conjugates
Authors: Hornung Jan‐Erik , Weinrich Timo , Göbel Michael W. 
Published: April 2022

AbstractQuinone methide precursors protected with alkyldithiomethyl groups have been synthesized and converted into PNA conjugates. Stable in the absence of reducing agents, the electrophilic quinone methide is released by glutathione in concentrations typical for the cytosol. Self‐alkylation then occurs or crosslinking of RNA when hybridized with complementary strands. Fastest reactions are seen for the sterically least hindered compound.
P2X7 receptor‐mediated release of microglial prostanoids and miRNAs correlates with reversal of neuropathic hypersensitivity in rats
Authors: Staal Roland , Khayrullina Tanzilya , Christensen Rie , Hestehave Sara , Zhou Hua , Cajina Manuel , Nattini Megan E. , Gandhi Adarsh , Fallon Shaun M. , Schmidt Megan , Zorn Stevin H. , Brodbeck Robbin M. , Chandrasena Gamini , Segerdahl Märta , Breysse Nathalie , Hopper Allen T. , Möller Thomas , Munro Gordon 
Published: April 2022

AbstractBackgroundP2X7 receptor antagonists have potential for treating various central nervous system (CNS) diseases, including neuropathic pain, although none have been approved for clinical use. Reasons may include insufficient understanding of P2X7 receptor signalling in pain, and the lack of a corresponding preclinical mechanistic biomarker.MethodsLu AF27139 is a highly selective and potent small molecule antagonist at rat, mouse and human forms of the P2X7 receptor, with excellent pharmacokinetic and CNS permeability properties. In the current experiments, we probed the utility of previously characterized and novel signalling cascades exposed to Lu AF27139 using cultured microglia combined with release assays. Subsequently, we assessed the biomarker potential of identified candidate molecules in the rat chronic constriction injury (CCI) model of neuropathic pain; study design limitations precluded their assessment in spared nerve injury (SNI) rats.ResultsLu AF27139 blocked several pain‐relevant pathways downstream of P2X7 receptors in vitro. At brain and spinal cord receptor occupancy levels capable of functionally blocking P2X7 receptors, it diminished neuropathic hypersensitivity in SNI rats, and less potently in CCI rats. Although tissue levels of numerous molecules previously linked to neuropathic pain and P2X7 receptor function (e.g. IL‐6, IL‐1β, cathepsin‐S, 2‐AG) were unaffected by CCI, Lu AF27139‐mediated regulation of spinal PGE2 and miRNA (e.g. rno‐miR‐93‐5p) levels increased by CCI aligned with its ability to diminish neuropathic hypersensitivity.ConclusionsWe have identified a pain‐relevant P2X7 receptor‐regulated mechanism in neuropathic rats, which could hold promise as a translatable biomarker and by association enhance the clinical progression of P2X7 receptor antagonists in neuropathic pain.SignificanceSub‐optimal translation of preclinical molecules has hindered the clinical development of novel mechanism of action analgesics. We have undertaken a comprehensive in vitro analysis of migroglial signalling mechanisms recruited upon P2X7 receptor activation, a number of which were shown to be modulated by a selective P2X7 receptor antagonist in a well characterized animal model of neuropathic pain. Subject to further confirmation in other neuropathic models, this opens up the possibility to investigate their clinical utility as potential pain biomarkers in patients.
NFkB‐signaling promotes glial reactivity and suppresses Müller glia‐mediated neuron regeneration in the mammalian retina
Authors: Palazzo Isabella , Todd Levi J. , Hoang Thanh V. , Reh Thomas A. , Blackshaw Seth , Fischer Andy J. 
Published: April 2022

AbstractMüller glia (MG) in mammalian retinas are incapable of regenerating neurons after damage, whereas the MG in lower vertebrates regenerate functional neurons. Identification of cell signaling pathways and gene regulatory networks that regulate MG‐mediated regeneration is key to harnessing the regenerative potential of MG. Here, we study how NFkB‐signaling influences glial responses to damage and reprogramming of MG into neurons in the rodent retina. We find activation of NFkB and dynamic expression of NFkB‐associated genes in MG after damage, however damage‐induced NFkB activation is inhibited by microglia ablation. Knockout of NFkB in MG suppressed the accumulation of immune cells after damage. Inhibition of NFkB following NMDA‐damage significantly enhanced the reprogramming of Ascl1‐overexpressing MG into neuron‐like cells. scRNA‐seq of retinal glia following inhibition of NFkB reveals coordination with signaling via TGFβ2 and suppression of NFI and Id transcription factors. Inhibition of Smad3 signal transducer or Id transcription factors increased numbers of neuron‐like cells produced by Ascl1‐overexpressing MG. We conclude that NFkB is a key signaling hub that is activated in MG after damage, mediates the accumulation of immune cells, and suppresses the neurogenic potential of MG.
Light, sleep‐wake rhythm, and behavioural and psychological symptoms of dementia in care home patients: Revisiting the sundowning syndrome
Authors: Guu Ta‐Wei , Aarsland Dag , ffytche Dominic 
Published: April 2022

AbstractObjectivesIt is believed that inadequate environmental light, especially in facilities such as care homes, contribute to the diurnal changes of behavioural and psychological symptoms of dementia (BPSD) historically referred to as “sundowning syndrome”. Conceptual models of sundowning phenomena have shifted emphasis from the role of light in vision (image forming) to its role in circadian rhythm modulation. However, the grounds for this change are unclear and the evidence on which it is based has not been examined comprehensively.MethodsWe have searched literature on sundowning syndrome and its association with light and studies evaluating BPSD, behavioural rhythm and environmental light in care homes in four databases (PubMed, Web of Science, Embase and Cochrane Library) from inception to 31 January 2021.ResultsOf the nine studies investigating light, behavioural rhythm and BPSD in care homes identified, we found evidence that insufficient natural light exposure was associated with worsening of BPSD and disrupted activity rhythm but it was not clear whether this related to image forming or disrupted circadian rhythm. There was a paucity of evidence in relation to the role of low levels of light for image forming in the context of a specific BPSD symptom: visual hallucinations. We also found literature on the possible role of light outside the visible spectrum influencing cognition. Based on the evidence, we proposed a new model integrating different components of light in BPSD and sundowning syndrome that combines its image forming and circadian roles.ConclusionsInadequate light may be a risk factor for BPSD and sundowning syndrome for dementia patients through a range of different mechanisms. It is recommended that multiple neuro‐endocrinological and socio‐environmental factors relevant to light such as adjusting the environmental setting, increasing light exposure, and scheduling activities should be considered when treating dementia patients with BPSD.