bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stabilization of Potent Co(II)‐based Lewis Acids with Weakly Basic Ligands
Authors: Jadwiszczak Michał J. , Malinowski Przemysław J. 
Published: November 2022

AbstractPairing cations with weakly coordinating anions (WCAs) often renders them highly Lewis‐acidic and extremely reactive. Although these features are often desirable, excessive reactivity of a cation may lead to decomposition of solvents or WCAs, hindering isolation, storage and practical use of such species. In an attempt to mitigate the problem, we introduce a series of readily available novel Co(II)‐WCA salts with the metal center stabilized by weakly bound ligands: SO2, halogenated acetonitriles and nitromethane with comprehensive characterization including structural, magnetic and spectral (IR) properties as well as thermal stability assessment. The use of these simple yet rarely encountered ligands yields mostly stable and highly Lewis‐acidic complexes, in some cases comparable to SbF5 according to calculated Fluoride Ion Affinities. Highly acidic character of the species is also reflected in observed reactivity. Since the most convenient route towards the Co(II) complexes leads through silver salts, the results are complemented with characterization of a series of novel Ag(I) complexes with abovementioned ligands. Experimental part is backed with DFT calculations which gives insight into the structure and energetics of presented Co(II) complexes and shows that Co(II) center is available for substrates like olefins. This makes them good candidates for catalysts in reactions requiring the presence of Lewis acids.
Bimetallic Organic Framework‐Decorated Leaf‐like 2D Nanosheets as Flexible Air Cathode for Rechargeable Zn‐air Batteries
Authors: Li Jiajia , Huang Shuhong , Li Zhiyong , Zhao Xiaohui , Ouyang Bo , Kan Erjun , Zhao Jie , Zhang Wenming 
Published: November 2022

AbstractExploring highly active and robust self‐supporting air electrodes is the key for flexible Zn‐air batteries (FZABs). Therefore, we report a novel 3D structural bimetal‐based self‐supporting electrode consisting of hybrid Cu, Co nanoparticles co‐modified nitrogen‐doped carbon nanosheets on carbon cloth (Cu, Co NPs@NCNSs/CC), which displays excellent electrochemical activity and durability of the oxygen reduction/evolution reaction (ORR/OER). The Cu, Co NPs@NCNSs/CC exhibits a half‐wave potential of 0.863 V toward ORR and an overpotential of 225 mV at 10 mA cm−2 toward OER, owing to its exposed bimetallic sites accelerating the kinetic reaction. In addition, the density functional theory calculation proves that the synergistic effect of CuCo sites favors ORR and OER. Hence, the FZABs based on Cu, Co NPs@NCNSs/CC achieve a larger open‐circuit potential (1.45 V), higher energy density (130.10 mW cm−2), and outstanding cycling stability. All remarkable results demonstrate valuable enlightenment for seeking advanced energy materials of portable and wearable electronics.
CFD‐Aided and Experimental Characterization of Bioreactors under Low Power Input Conditions
Authors: Keller Marc C. , Witzel Johannes , Tscheschke Bernd , Jurgait Michael , Baas Markus , Poggel Martin , Gottfried Michael 
Published: November 2022

AbstractThe hydrodynamic characterization of bioreactors is an integral element in the industrial development of cell and gene therapy platforms where mild process conditions with low power inputs are desired. In this technology, modular single‐use equipment is frequently used for which accurate techniques to measure or predict scaling parameters, such as power input, are of high interest. In this work, computational fluid dynamics as well as two experimental approaches are used to determine the power input in a small‐scale bioreactor and validate the employed techniques. Particular attention is given to the implications arising from low‐speed operation with low power input conditions.
Exposure to statins post localized prostate cancer diagnosis and risk of metastasis among men who did not receive curative prostate cancer treatment
Authors: Habeshian Talar S. , Shu Yu‐Hsiang , Cannavale Kimberly L. , Slezak Jeff M. , Chien Gary W. , Vandeneeden Stephen K. , Chao Chun R. 
Published: November 2022

AbstractBackgroundFew studies have evaluated the effect of statin exposure on metastasis risk among prostate cancer patients not receiving curative treatment.MethodsWe included men diagnosed with localized prostate cancer at an integrated health care system between 1997 and 2006 who did not receive curative treatment within 6 months of diagnosis. We followed these men until a metastatic event, disenrollment, death, or 12/31/2016. We collected all data from electronic health records supplemented by chart review. We used Cox regressions to examine the association between post‐diagnostic statin exposure and metastasis, controlling for clinical characteristics and pre‐diagnostic statin exposure.ResultsThere were 4245 men included. Mean age of diagnosis was 68.02 years. 46.6% of men used statins after prostate cancer diagnosis. During follow‐up, 192 men developed metastasis (cumulative incidence rate: 14.5%). In the adjusted Cox model, statin use post‐prostate cancer diagnosis was not significantly associated with a metastatic event (HR = 0.97, 95% CI = 0.69, 1.36). Pre‐diagnostic statin use was also not associated with development of metastasis (HR = 0.76, 95% CI = 0.53, 1.10). We did not observe a dose‐response for the proportion of person‐time at‐risk post‐prostate cancer diagnosis on statins (HR = 0.98 per 10% increase in person‐time exposed [95% CI = 0.93, 1.03]).ConclusionsWe did not find an inverse association between post‐diagnosis statin exposure and metastasis development in localized prostate cancer patients who did not receive active treatment. Our results did not offer support to the chemopreventive potential of post‐diagnostic statin use among men on active surveillance.
Understanding spatially explicit capture–recapture parameters for informing invasive animal management
Authors: Anderson Dean P. , Rouco Carlos , Latham Maria Cecilia , Warburton Bruce 
Published: November 2022

AbstractSpatially explicit capture–recapture modeling is used to estimate population density to enhance our ecological understanding and management of wildlife populations. The two primary parameters estimated in the capture process of these models are σ and g0. The σ parameter is the standard deviation of a bivariate normal home range kernel (indicating home range size), while g0 is the probability of capture by a device placed at the home range center. These parameters are being increasingly generalized and used in simulation models to predict the detection or capture rates of invasive animals to inform management strategies. Given the sensitivity of simulation model predictions to parameter values, we performed an analysis of preexisting GPS telemetry and trapping data of invasive brushtail possums (Trichosurus vulpecula) across New Zealand to address the following three questions. First, how does σ vary with population density, habitat, and age–sex class? Second, how is g0 influenced by home range size (i.e., σ) and trap type? Third, how does the predicted probability of capture or detection of individuals vary with σ, different trap types and trap densities? We used data from 180 possums across 18 sites to develop a Bayesian hierarchical model. Results showed that σ decreased with increasing population density and increasing area of productive grassland. There was a strong negative relationship between σ and g0, and g0 was highest for cage traps and lowest for raised leg‐hold traps. Despite the potential compensatory inverse effect of g0 with σ, the probability of capturing a randomly located possum by a large array of traps increased with increasing σ. Results show that selection of σ for predictive simulation modeling should begin with an estimated population density. The associated g0 should then be identified as a function of σ, and stochasticity should be incorporated to account for inter‐individual variability. The approach employed here provides a methodology for estimating density, σ, and g0 using trapping and telemetry data, and our results will help guide careful consideration of density, σ, and g0 to improve the accuracy of simulation studies across species.
Field‐Induced SMM Behaviour of Tetranuclear Coordination Clusters with a Cubane [Ni4O4] Core
Authors: Sarkar Arijit , Basu Debayan , Gómez‐García Carlos J. , Nayek Hari Pada 
Published: November 2022

AbstractTwo tetranuclear Ni(II) complexes: [Ni4(HL1)4] ⋅ H2O (1) and [Ni4(HL2)4] ⋅ 1.5 dmf (2) where dmf=dimethylformamide, H3L1=4‐(tert‐butyl)‐2‐(((2‐hydroxy‐5‐nitrophenyl)imino)methyl)‐6‐(hydroxymethyl)phenol and H3L2=4‐(tert‐butyl)‐2‐(hydroxymethyl)‐6‐(((2‐hydroxyphenyl)‐imino)methyl)phenol, have been prepared and characterized by single crystal X‐Ray diffraction, elemental analysis and FT‐IR spectroscopy. The solid‐state structures reveal the formation of highly symmetric and asymmetric [Ni4O4] cubane cores in complexes 1 and 2, respectively. Extensive magnetic studies show that both complexes present ferromagnetic exchange interactions between the Ni(II) ions within the cubane core with g=2.113(3), J1=−7.89(8) cm−1, J2=13.3(1) cm−1 and |D|=11.3(4) cm−1 (for 1) and g=2.206(4), J1=1.0(1) cm−1, J2=7.8(1) cm−1 and |D|=8.7(2) cm−1 (for 2). The large anisotropy, high ground spin state (arising from the ferromagnetic coupling) and the good isolation of the clusters provided by the Schiff base ligands, give rise to the first examples of field‐induced single‐molecule magnets (FI−SMM) in Ni4O4 clusters and to the highest energy barrier reported to date in a Ni4O4 cluster.
A Golgi Apparatus‐Targetable Probe Based on Lanthanide Complexes for Ratiometric Time‐Gated Luminescence Detection of Hydrogen Sulfide
Authors: Kong Deshu , Song Bo , Yuan Jingli 
Published: November 2022

AbstractDevelopment of bioanalytical methods for selective and accurate detection of H2S in living samples is essential for understanding the pathological and physiological functions of this gasotransmitter in biological systems. Here we report a Golgi apparatus‐targetable lanthanide complex‐based luminescent probe, Golgi‐ABTTA‐Eu3+/Tb3+, that can be used for accurately determining H2S in aqueous solution and living cells via the ratiometric time‐gated luminescence (RM‐TGL) technique. This probe is composed of 2,2′:6′,2′′‐terpyridine‐Eu3+/Tb3+ mixed complexes as the luminophore, 4‐azidobenzyl‐ether as the responsive moiety, and sulfanilamide as the Golgi apparatus‐targeting moiety. Upon reaction with H2S, accompanied by the cleavage of 4‐azidobenzyl group from the probe molecule, the long‐lived emission of Tb3+ complex at 540 nm is significantly enhanced, while that of Eu3+ complex at 610 nm is obviously reduced. It was noted that the I540/I610 ratio increased by 8.8 times after the probe was exposed to H2S, which enabled H2S to be detected with RM‐TGL method. After being incubated with living cells, the probe molecules were selectively accumulated in the Golgi apparatus, which allowed H2S in the Golgi apparatus to be successfully imaged in RM‐TGL mode.
First Total Synthesis of the Benzotropolone/Bis(pulvinone) Natural Product Aurantricholone Exploiting New Strategies for Establishing Benzotropolones andZ‐Configured Pulvinones
Authors: Koblischek Philip , Brückner Reinhard 
Published: November 2022

AbstractAurantricholone as well as its calcium and lithium salts, all of which represent the coloring principle of the fungusTricholoma aurantium, were synthesized for the first time, namely in 15 steps, 10 of which were our longest linear sequence. We developed an access to benzotropolones after dibromocyclopropanating alkyl or silyl enol ethers of 1‐tetralones. Successive treatments with DMAP‐N‐oxide and Ac2O effected ring‐enlargement, oxidation, and acetylation.O‐acetyl‐1‐bromo‐3,4‐dimethoxybenzotropolone obtained thereby – similarly as unsubstituted benzotropolone – was brominated at C‐8 in two steps by adopting our recently published bromination protocol for otherwise unsubstitutedO‐acetylbenzotropolone. Thereafter, a double and doublyZ‐selective Suzuki‐coupling with a newly introduced boronate established theO‐methylated pulvinone moiety as well as theO‐methylated “pulvinone‐like” motif of what altogether equaled the completed aurantricholonescaffold. Its deprotection (two steps) furnished the title compound either as its protonated form or its calcium or lithium salt.
Sequential spatially balanced sampling
Authors: Jauslin Raphaël , Panahbehagh Bardia , Tillé Yves 
Published: November 2022

AbstractSequential sampling occurs when an entire population is unknown in advance and data are received one by one or in groups of units. This article proposes a new algorithm to sequentially select a balanced sample. The algorithm respects equal and unequal inclusion probabilities. The method can also be used to select a spatially balanced sample if the population of interest contains spatial coordinates. A simulation study is proposed, and the results show that the proposed method outperforms other methods.
Removal of asphaltene by solid‐phase iron exchanged bentonite
Authors: Jajin Roza Ghahramani , Ghorbanpour Mohammad 
Published: November 2022

AbstractThe purpose of this study was to modify bentonite (B) by iron using the solid‐phase ion exchange method to enhance the asphaltene adsorption. According to the scanning electron microscope (SEM) and x‐ray diffraction analysis (XRD) results, after solid‐state ion exchange, the structure of parent bentonite was changed slightly. An energy‐dispersive x‐ray analysis (EDX) showed that after ion exchange, the iron contents of bentonite increased from 0.6% to 1.6% w/w. Bentonite modification with iron increases asphaltene adsorption capacity (about 60%) compared to parent bentonite. Optimal adsorbent conditions for adsorption of asphaltene are 100 ppm concentration, 5 g/L adsorbent, and 60 min contact time. Adsorbent behavior showed that the adsorption kinetics and isotherm are in good agreement with the pseudo‐second‐order model and the Langmuir equation.
Experimental investigation of high‐pressure hydrogen gas jet impingement characteristics of single‐hole cylindrical injector
Authors: Lei Yan , Zhang Ao , Zhou Dingwu , Qiu Tao , Qin Chao 
Published: November 2022

AbstractHigh‐pressure hydrogen direct injection technology can enable an internal combustion engine to attain high thermal efficiency and discharge clean emissions; hence, the advantages provided by hydrogen jet impingement are crucial. This paper presents an experimental investigation of the high‐pressure hydrogen direct injection from a single‐hole cylindrical injector. A test rig with a spring set was designed based on the impulse conservation law to test important high‐pressure hydrogen jet impingement parameters, such as jet impingement force and impulse. The results show that the hydrogen gas jet exhibits a two‐zone behavior. In Zone I (near‐field dynamic region), the jet impulse is not conservative, and the jet characteristic parameters (jet impingement force and impulse) fluctuate—first decreasing and then increasing. In Zone II, the jet impulse is conservative. This two‐zone jet feature is induced by shockwaves because a high‐pressure hydrogen jet with a high nozzle pressure ratio reaches its sonic speed at the nozzle outlet. The Mach disk height is the inflection point of these two zones. Moreover, the hydrogen injection pressure has a considerable influence on the gas jet. As the injection pressure increases, the hydrogen jet impingement force and impulse increase. Both jet parameters have a linearly increasing relationship with injection pressure.
Holocene coastal evolution and environmental changes in the lower Río Guadiaro valley, with particular focus on the Bronze to Iron Age harbour ‘Montilla’ of Los Castillejos de Alcorrín (Málaga, Andalusia, Spain)
Authors: May Simon Matthias , Brückner Helmut , Norpoth Maike , Pint Anna , Wolf Dennis , Brill Dominik , Martín César León , Stika Hans‐Peter , Padilla José Suárez , Moret Pierre , Marzoli Dirce 
Published: November 2022

AbstractPhoenicians were the first to systematically develop the area surrounding the Strait of Gibraltar at the end of the 9th century B.C. Following pioneering studies in the Río Guadiaro estuary (Málaga/Cádiz) in the 1980s, a German‐Spanish cooperation project focussed on the role of indigenous people in the Phoenician colonisation trading networks at Los Castillejos de Alcorrín (Manilva, Málaga), one of the most important Early Iron Age settlements in southwestern Iberia. In the recent past, combined with systematic archaeological surveys, geoarchaeological research embedded in the interdisciplinary project ‘Archeostraits’ aimed at (i) deciphering palaeoenvironmental and coastal changes in the surroundings of Los Castillejos de Alcorrín throughout the mid‐ to late Holocene; (ii) constraining palaeoenvironmental conditions during early Phoenician colonisation; and (iii) better understanding human–environment interactions during the Final Bronze and Early Iron Age (i.e., end of 9th and 8th centuries B.C.). Coring transects along the Río Guadiaro allowed for differentiating successive palaeoenvironments and for establishing a chrono‐stratigraphy for the Holocene sedimentary infill of the valley. Based on these results, the deposition of shallow marine sands, overlying deltaic deposits of alternating sand and mud, and the subsequent development of lagoonal conditions in the lower Guadiaro valley took place before the Phoenicians established the first settlements along the coast.
Recreational marijuana laws and the misuse of prescription opioids: Evidence from National Survey on Drug Use and Health microdata
Authors: Ali Mir M. , McClellan Chandler , Mutter Ryan , Rees Daniel I. 
Published: November 2022

AbstractSeveral studies have concluded that legalizing medical marijuana can reduce deaths from opioid overdoses. Drawing on micro data from the National Survey on Drug Use and Health, a survey uniquely suited to assessing patterns of substance use, we examine the relationship between recreational marijuana laws (RMLs) and the misuse of prescription opioids. Using a standard difference‐in‐differences (DD) regression model, we find that RML adoption reduces the likelihood of frequently misusing prescription opioids such as OxyContin, Percocet, and Vicodin. However, using a two‐stage procedure designed to account for staggered treatment and dynamic effects, the DD estimate of relationship between RML adoption and the likelihood of frequently misusing prescription opioids becomes positive. Although event study estimates suggest that RML adoption leads to a decrease in the frequency of prescription opioid abuse, this effect appears to dissipate after only 2 or 3 years.
Formal care of the elderly and health outcomes among adult daughters
Authors: Abrahamsen Signe A. , Grøtting Maja Weemes 
Published: November 2022

AbstractHealth‐care expenditures and the demand for caregiving are increasing concerns for policy makers. Although informal care to a certain extent may substitute for costly formal care, providing informal care may come at a cost to caregivers in terms of their own health. However, evidence of causal effects of care responsibilities on health is limited, especially for long‐term outcomes. In this paper, we estimate short and long‐term effects of a formal care expansion for the elderly on the health of their middle‐aged daughters. We exploit a reform in the federal funding of formal care for Norwegian municipalities that caused a greater expansion of home care provision in municipalities that initially had lower coverage rates. We find that expanding formal care reduced sickness absence in the short run, primarily due to reduced absences related to musculoskeletal and psychological disorders. The reduction in sickness absence is concentrated among workers with little work flexibility (e.g., shift workers), whereas there are no effects for workers with more flexible jobs. We were unable to detect effects on long‐term health and healthcare utilization outcomes. Our results imply that sickness absence uptake could be hiding a need for more flexibility around work for people with caregiving responsibilities.
Understanding paediatric data standards challenges through academia‐industry partnerships: A conect4children (c4c) qualitative study
Authors: Sen Anando , Palmeri Avril , Lee Joanne , Hedley Victoria , Thuet Jacques , Lignon Perrine , Cotonnec Valerie , Leary Rebecca , Nally Sinéad , Straub Volker 
Published: November 2022

AbstractIntroductionThe conect4children (c4c) consortium was setup to facilitate the development of new drugs and therapies for paediatric populations and address key challenges associated with paediatric clinical trials. Two of the major adopting principles for c4c were academia‐industry partnership and data harmonisation and interoperability through common eCRF definitions. To understand the challenges arising out of these principles, the c4c team at Newcastle University conducted semi‐structured interviews with four c4c industry partners.MethodsEach partner was asked 10 questions about the data standards used in their company, management and maintenance of data dictionaries, how they dealt with paediatric‐specific issues, major knowledge gaps and how academia could aid in bridging these gaps. Thematic analysis was performed to identify patterns in their answers.ResultsAll companies use the Clinical Data Interchange Standards Consortium (CDISC) standards but face problems when certain terminology is not included in CDISC (e.g., paediatric‐specific terminologies). All companies were committed to interoperability and had strict policies about how additional terminology could be added to their dictionaries. Three of the four companies maintained a single dictionary but also had lighter versions for specific usage. The two major knowledge gaps identified from the interviews were handling of non‐CDISC terminology and maintenance of normal lab ranges in dictionaries.DiscussionTo address these gaps, c4c has been working on a four‐point plan including the development of a cross‐cutting paediatric dictionary and a paediatric user guide in collaboration with CDISC.
The existence of irrational most perfect magic squares
Authors: Chen Jingyuan , Wu Jinwei , Wu Dianhua 
Published: November 2022

AbstractLet be a positive integer, be a magic square, where . is called most perfect magic square (MPMS for short) if , and . Let , where . is called rational if both and possess the property that the sums of the numbers in every row and every column are the same; otherwise, is said to be irrational. It was shown that there exists an MPMS if and only if and . In this paper, it is proved that there exists an irrational MPMS if and only if and .
Separation‐individuation from the community among religious Jewish teens in Israel
Authors: Ben Shlomo Shirley , Priel‐Moldovan Shlomit , Levy Drorit 
Published: November 2022

AbstractWe wished to understand the contribution of personal, family, and community factors to the risky behaviors (RBs) of religious Jewish teens in Israel, and whether sense of community belonging mediated the religious estrangement/RB association. A convenience sample comprised 645 adolescents aged 14–19 (420 female/225 male) from Israel's national‐religious sector was used in this study. Sociodemographic characteristics, self‐esteem, future orientation, degree of religious estrangement, perceived parental acceptance, and sense of community belonging were reported. Being a male, older, and living in a rural community were associated with more RBs, as were higher religious estrangement and less acceptance from the mother. Sense of community was found to partially mediate the religious estrangement/RB association. We extended Blos's conceptualization of adolescence as a second separation‐individuation from the parents to include a parallel process of separation‐individuation from the community. The results may help in designing interventions for adolescents in religious communities.