bluuebunny/crossref_metadata_2025_split huggingface dataset:
Why most insects have very low proportions of C20 polyunsaturated fatty acids: The oxidative stress hypothesis
Authors: Stanley David , Kim Yonggyun 
Published: October 2019

AbstractEicosanoids, a group of C20 oxygenated polyunsaturated fatty acids (PUFAs), mediate various physiological processes, such as immunity, reproduction, excretion, and metabolism in insects. Arachidonic acid (AA) is used for the main precursor for the production of various eicosanoids. However, most terrestrial insects possess relatively low AA levels. Insects are presumed to be evolved since the Paleozoic era, at which oxygen levels might be much higher than current conditions. Compared with other animals, they exhibit relatively high metabolic rates with the well‐developed tracheal system, which directly supply enough oxygen to active tissues like flight muscles. This might allow insects to be susceptible to reactive oxygen species (ROS) generated from high oxidative catabolism. Long‐chain PUFAs including AA is usually reacted with ROS and become peroxidized. Peroxidized PUFAs cause various cellular damage. Thus, we propose a hypothesis that terrestrial insects minimize AA levels to minimize oxidative stress.
Latent variable models for harmonization of test scores: A case study on memory
Authors: van den Heuvel Edwin R. , Griffith Lauren E. , Sohel Nazmul , Fortier Isabel , Muniz‐Terrera Graciela , Raina Parminder 
Published: October 2019

AbstractCombining data from different studies has a long tradition within the scientific community. It requires that the same information is collected from each study to be able to pool individual data. When studies have implemented different methods or used different instruments (e.g., questionnaires) for measuring the same characteristics or constructs, the observed variables need to be harmonized in some way to obtain equivalent content information across studies. This paper formulates the main concepts for harmonizing test scores from different observational studies in terms of latent variable models. The concepts are formulated in terms of calibration, invariance, and exchangeability. Although similar ideas are present in measurement reliability and test equating, harmonization is different from measurement invariance and generalizes test equating. In addition, if a test score needs to be transformed to another test score, harmonization of variables is only possible under specific conditions. Observed test scores that connect all of the different studies, are necessary to be able to test the underlying assumptions of harmonization. The concepts of harmonization are illustrated on multiple memory test scores from three different Canadian studies.
Manipulation of the dually thermoresponsive behavior of peptide‐based vesicles through modification of collagen‐like peptide domains
Authors: Dunshee Lucas C. , Sullivan Millicent O. , Kiick Kristi L. 
Published: October 2019

AbstractMaterials that respond to temporally defined exogenous cues continue to be an active pursuit of research toward on‐demand nanoparticle drug delivery applications, and using one or more exogenous temperature stimuli could significantly expand the application of nanoparticle‐based drug delivery formulations under both hyperthermal and hypothermal conditions. Previously we have reported the development of a biocompatible and thermoresponsive elastin‐b‐collagen‐like polypeptide (ELP‐CLP) conjugate that is capable of self‐assembling into vesicles and encapsulating small molecule therapeutics that can be delivered at different rates via a single temperature stimulus. Herein we report the evaluation of multiple ELP‐CLP conjugates, demonstrating that the inverse transition temperature (Tt) of the ELP‐CLPs can be manipulated by modifying the melting temperature (Tm) of the CLP domain, and that the overall hydrophilicity of the ELP‐CLP conjugate also may alter the Tt. Based on these design parameters, we demonstrate that the ELP‐CLP sequence (VPGFG)6‐(GPO)7GG can self‐assemble into stable vesicles at 25°C and dissociate at elevated temperatures by means of the unfolding of the CLP domain above its Tm. We also demonstrate here for the first time the ability of this ELP‐CLP vesicle to dissociate via a hypothermic temperature stimulus by means of exploiting the inverse transition temperature (Tt) phenomena found in ELPs. The development of design rules for manipulating the thermal properties of these bioconjugates will enable future modifications to either the ELP or CLP sequences to more finely tune the transitions of the conjugates for specific biomedical applications.
A Fast and Easy Method for Specific Detection of Circular RNA by Rolling‐Circle Amplification
Authors: Boss Marcel , Arenz Christoph 
Published: October 2019

AbstractCircular RNAs (circRNAs) represent a new class of usually noncoding transcripts with largely unknown functions. Their research is hampered not least by the inapplicability of traditional analytical methods. Herein we describe a rapid and easy assay for the detection of natural circRNA, based on rolling‐circle amplification (RCA). This technique does not require the use of fluorescently labeled RNA or DNA and can specifically detect circular RNA in the presence of a 1000‐fold excess of the same linear RNA. Only standard devices such as (quantitative) PCR cyclers and gel electrophoresis are used.
Rhodium Complexes in P−H Bond Activation Reactions
Authors: Varela‐Izquierdo Víctor , Geer Ana M. , de Bruin Bas , López José A. , Ciriano Miguel A. , Tejel Cristina 
Published: October 2019

AbstractThe feasibility of oxidative addition of the P−H bond of PHPh2 to a series of rhodium complexes to give mononuclear hydrido‐phosphanido complexes has been analyzed. Three main scenarios have been found depending on the nature of the L ligand added to [Rh(Tp)(C2H4)(PHPh2)] (Tp= hydridotris(pyrazolyl)borate): i) clean and quantitative reactions to terminal hydrido‐phosphanido complexes [RhTp(H)(PPh2)(L)] (L=PMe3, PMe2Ph and PHPh2), ii) equilibria between RhI and RhIII species: [RhTp(H)(PPh2)(L)]⇄[RhTp(PHPh2)(L)] (L=PMePh2, PPh3) and iii) a simple ethylene replacement to give the rhodium(I) complexes [Rh(κ2‐Tp)(L)(PHPh2)] (L=NHCs‐type ligands). The position of the P−H oxidative addition–reductive elimination equilibrium is mainly determined by sterics influencing the entropy contribution of the reaction. When ethylene was used as a ligand, the unique rhodaphosphacyclobutane complex [Rh(Tp)(η1‐Et)(κC,P‐CH2CH2PPh2)] was obtained. DFT calculations revealed that the reaction proceeds through the rate limiting oxidative addition of the P−H bond, followed by a low‐barrier sequence of reaction steps involving ethylene insertion into the Rh−H and Rh−P bonds. In addition, oxidative addition of the P−H bond in OPHPh2 to [Rh(Tp)(C2H4)(PHPh2)] gave the related hydride complex [RhTp(H)(PHPh2)(POPh2)], but ethyl complexes resulted from hydride insertion into the Rh−ethylene bond in the reaction with [Rh(Tp)(C2H4)2].
Light‐Induced Tetrazole‐Quinone 1,3‐Dipolar Cycloadditions
Authors: Ortiz‐Rojano Laura , Rojas‐Martín Jaime , Rodríguez‐Diaz Ciro , Carreño M. Carmen , Ribagorda Maria 
Published: October 2019

AbstractQuinones were firstly used as dipolarophiles in a photoclick 1,3‐cycloaddition with 2,5‐diaryltetrazoles, as photoactivatable predipoles, providing a novel and efficient access to three types of pyrazole‐fused quinones (indazoledione derivatives). Distinctive features of this protocol include the use of light as the unique reagent and readily available, stable, and easy to handle starting materials and good to excellent yields. Photophysical and electrochemical properties of the quinones and their potential application as photoredox catalysts are also detailed.
TiO2 based nanopowder coatings over stainless steel plates for UV‐C photocatalytic degradation of methylene blue
Authors: Jiao Yongmei , Basiliko Nathan , Kovala A. Thomas , Shepherd Jeffrey , Shang Helen , Scott John A. 
Published: October 2019

AbstractImmobilizing the photocatalyst in a water treatment process design is essential; however, the immobilization method may affect the photoactivity of the photocatalyst. In this work, photocatalyst powders were successfully coated on 316 L stainless steel plates by a novel brush coating method. Three combinations of photocatalyst mixtures (pure TiO2 anatase, anatase doped with WO3, or TiO2 rutile) were and annealed at different temperatures between 460‐540°C. The ~ 10 μm thick coatings demonstrated full plate coverage and strong adhesion and adequate durability. Surface roughness increased with annealing temperature. The doping and annealing process enabled band gap reduction to the visible light spectrum for all coatings, with the smallest band gap being 2.48 eV (1 eV = 1.6 × 10−19 J). Subsequent methylene blue degradation tests under UV‐C showed that the coatings annealed in 460°C exhibited the best performance and with the highest degradation rate constant of 5.59 hours−1.
A theoretical study of the reverse water‐gas shift reaction on Ni(111) and Ni(311) surfaces
Authors: Zhang Min , Zijlstra Bart , Filot Ivo A. W. , Li Fang , Wang Haiou , Li Jingde , Hensen Emiel J. M. 
Published: October 2019

AbstractThis paper presents a systematic comparison study of the surface redox reaction mechanism for reverse water‐gas shift (RWGS) over Ni(111) and Ni(311) surfaces. Specifically, the most stable surface intermediates and the reaction kinetics involved in the direct CO2 activation and water formation steps are computed with density functional theory calculations and compared for the two different Ni surfaces. The results show that CO2, CO, O, H, OH, and H2O species adsorb stronger on Ni(311) than on Ni(111). Compared to Ni(111), the overall barriers for direct CO2 activation and water formation on Ni(311) are lower by 23 and 17 kJ/mol, respectively. These observations indicate that the RWGS reaction through the surface redox mechanism should be preferred on Ni(311).
A Constant Potential Molecular Dynamics Simulation Study of the Atomic‐Scale Structure of Water Surfaces Near Electrodes
Authors: Yang Pengli , Wang Zhenxing , Liang Zun , Liang Hongtao , Yang Yang 
Published: October 2019

Summary of main observation and conclusionNovel and technologically important processes and phenomena arise at water surfaces in the presence of electric fields. However, experimental measurements on water surfaces are challenging, and the results are scarce and inconclusive. In this work, the constant potential molecular dynamics method, in which the electrode charges are allowed to fluctuate to keep the electric potential fixed, was implemented in the study of a near‐electrode water surface systems. This simulation system was set up with a vapor/liquid‐water/vapor slab and two electrodes under different sets of applied electrostatic potential, yielding i) a detailed characterization of the external E‐field dependent electrostatic potential/density/dipole moment density profiles, and ii) the relationship between the water surface width and the applied electrode voltage differences which has been rarely reported. The adjustments in the number density profiles in the vicinity of water surfaces due to external E‐fields were observed, while the capillary interfacial widths for the surfaces near both cathode and anode were found with different increment rates under increasing E‐fields. By examining dipole density profiles across the water surfaces, we found that external E‐field induced polarization occurs in both bulk and surface regimes, yet the surface polarization densities vary asymmetrically with respect to the increasing E‐fields. Detailed discussions were carried out to explain the correlation between water surface tension and surface widths, as well as the interplay between the surface polarization densities and the hydrogen bond network structure. We conclude that the mechanical and structural properties of the water surfaces could be tuned by both magnitude and direction of the strong external E‐fields. We also recognize that more surface properties with application value, such as dielectric permittivity tensor or surface potential, could also be regulated by the external E‐fields.
Design and Synthesis of a Series of Novel Macrocycle Janus Kinase 2 Inhibitors
Authors: Wang Yanling , Ge Huan , Wang Disha , He Huan , Li Lu , Diao Yanyan , Shen Zihao , Zhu Lili , Li Shiliang , Zhao Zhenjiang , Li Honglin 
Published: October 2019

Summary of main observation and conclusionMacrocycle has attracted the attention of many researchers in the field of medicinal chemistry due to its unique advantages and good prospects, but the difficulties in drug design and synthesis of macrocycle limit its applications. In this study, a series of macrocyclic derivatives designed from anaplastic lymphoma kinase (ALK) inhibitor lorlatinib were synthesized as Janus kinase 2 (JAK2) selective inhibitors. Among them, 17f had the best inhibitory activity (IC50 = 0.177 μmol·L–1) and selectivity for JAK2 over JAK1 and JAK3, which indicated that design of the macrocyclic derivatives might be a feasible strategy for the discovery of novel selective JAK2 inhibitors.
Unrealistic parental expectations for cure in poor‐prognosis childhood cancer
Authors: Mack Jennifer W. , Cronin Angel M. , Uno Hajime , Shusterman Suzanne , Twist Clare J. , Bagatell Rochelle , Rosenberg Abby , Marachelian Araz , Granger M. Meaghan , Glade Bender Julia , Baker Justin N. , Park Julie , Cohn Susan L. , Levine Alyssa , Taddei Sarah , Diller Lisa R. 
Published: October 2019

BackgroundMany parents of children with advanced cancer pursue curative goals when cure is no longer possible. To the authors' knowledge, no pediatric studies to date have prospectively evaluated prognosis communication or influences on decision making in poor‐prognosis childhood cancer.MethodsThe authors conducted a prospective cohort study at 9 pediatric cancer centers that enrolled 95 parents of children with recurrent or refractory, high‐risk neuroblastoma (63% of those who were approached), a condition for which cure rarely is achieved. Parents were surveyed regarding the child's likelihood of cure; their primary goal of care; the child's symptoms, suffering, and quality of life; and regret concerning the last treatment decision. Medical records identified care and treatment decisions.ResultsOnly 26% of parents recognized that the chance of cure was <25%. When asked to choose a single most important goal of care, approximately 72% chose cure, 10% chose longer life, and 18% chose quality of life. Parents were more likely to prioritize quality of life when they recognized the child's poor prognosis (P = .002). Approximately 41% of parents expressed regret about the most recent treatment decision. Parents were more likely to experience regret if the child had received higher intensity medical care (odds ratio [OR], 3.14; 95% CI, 1.31‐7.51), experienced suffering with limited benefit from the most recent treatment (OR, 4.78; 95% CI, 1.16‐19.72), or experienced suffering from symptoms (OR, 2.91; 95% CI, 1.18‐7.16).ConclusionsParents of children with poor‐prognosis cancer frequently make decisions based on unrealistic expectations. New strategies for effective prognosis communication are needed.
The usefulness of lymphoid enhancer‐binding factor 1 and androgen receptor in diagnosing solid pseudopapillary neoplasm of the pancreas on cytopathology
Authors: McHugh Kelsey E. , Stelow Edward B. , Harrison Grant P. , Policarpio‐Nicolas Maria Luisa C. 
Published: October 2019

BackgroundSolid pseudopapillary neoplasm (SPN) is an uncommon tumor that is challenging to diagnose on cytology due to morphologic overlap with other pancreatic neoplasms. Recently, putative diagnostic markers for SPN have been reported in the surgical pathology literature, with nuclear positivity for lymphoid enhancer‐binding factor 1 (LEF1) and androgen receptor (AR) identified in >90% and >80% of cases, respectively. In the current study, the authors sought to evaluate the sensitivity and specificity of LEF1 and AR on SPN cytology specimens and available corresponding surgical resection specimens.MethodsImmunohistochemistry was performed using monoclonal antibodies against LEF1 and AR on 19 SPN cytology cases and 15 corresponding follow‐up surgical resection specimens from 2 institutions. To evaluate specificity, the authors stained 23 non‐SPN tumors diagnosed on cytology with corresponding surgical specimens (4 acinar cell carcinomas, 9 pancreatic neuroendocrine tumors, and 10 ductal adenocarcinomas). Positivity for LEF1 and AR was defined as any nuclear staining within neoplastic nuclei.ResultsLEF1 was found to be positive in 18 of 19 cytology cases (94.7%) and 15 of 15 corresponding surgical resection specimens (100%). AR was positive in 4 of 16 cytology cases (25.0%) and 4 of 15 corresponding surgical resection specimens (26.7%). Among non‐SPN tumors, LEF1 demonstrated a specificity of 87% whereas the specificity for AR was 100%.ConclusionsLEF1 for SPN on cytology material was found to demonstrate a sensitivity of 94.7% and a specificity of 87%. Although AR was found to have a specificity of 100%, its sensitivity was lower (25%). LEF1 could be a valuable immunostain on cytology cell block material for the diagnosis of SPN. However, the same may not hold true for AR.
Sequestration of CO2by Phosphatrane Molecules
Authors: Sánchez‐Sanz Goar , Alkorta Ibon , Elguero José , Trujillo Cristina 
Published: October 2019

AbstractThe stationary points for the reaction between the CO2and nine different phosphatranes molecules have been characterized by means of MP2 computational methods. Two minima structures have been located: a pnicogen bonded complex where one of the oxygen atoms of CO2acts as electron donor and an adduct that presents a covalent P−C linkage. The corresponding transition state structure linking the two minima has also been characterized. In gas phase, the pnicogen bonded complex is more stable than the corresponding adduct except in one case. In contrast, the inclusion of the solvent effect (toluene and THF), reverts the stability, being in all cases the different adducts more stable than the pnicogen bonded complexes. The electronic properties of the systems have been analysed with the Quantum Theory of Atoms in Molecules (QTAIM) and Electron Density Shift (EDS) methods.
Acetylcholinesterase Sensor Based on Polyelectrolyte Complexes with DNA Inclusion for the Determination of Reversible Inhibitors
Authors: Davletshina R. , Ivanov A. , Evtugyn G. 
Published: October 2019

AbstractThe acetylcholinesterase (AChE) biosensor has been developed for the determination of reversible inhibitors applied in the Alzheimer's disease therapy, i. e., Huperzine A (HupA) and galantamine (Gal). For this purpose, glassy carbon electrode (GCE) was first modified with carbon black (CB) and Co phthalocyanine and then polyelectrolyte complex was self‐assembled on its surface by drop casting of reactants and washing. To extend the stability and improve biosensor performance, it was proposed for the first time to use DNA as polyanion in the complex assembly. The DNA showed higher charge density than conventional polyelectrolytes and stabilized the surface coating by adsorption of higher enzyme amount and prevention of its leaching during the biosensor operation. Complex formation and the influence of structural factors were monitored with surface plasmon resonance. Kinetic study showed mixed inhibition of the enzyme within micro‐ and nanomolar range of inhibitor concentrations. The AChE biosensor showed limit of detection of HupA equal to 0.9 and that of Gal to 70 nM. The sensitivity of drug determination was found to be close or better than that of the AChE biosensors previously reported in the literature. The biosensor was tested on the sample of artificial urine and showed 102 % recovery of the drugs determination.
Understanding barriers and facilitators to therapeutic relationships in state psychiatric hospitals
Authors: Keefe Kristen , Cardemil Esteban V. , Thompson Matthew 
Published: October 2019

AbstractObjective(s)This qualitative study aimed to elucidate barriers and facilitators faced by individuals with serious mental illness in establishing positive therapeutic relationships within the public sector.MethodTwenty‐two individuals, receiving inpatient treatment and near discharge from three state psychiatric facilities, participated. The sample was diverse with respect to gender (60 % male) and race/ethnicity, with a mean age of 40 years (standard deviation = 12.91). Thematic analysis and a contextualist lens were used to analyze the data.ResultsResults indicated that inadequate meeting time, lack of clinically relevant communication, and discrepancies in client/provider perspectives, impeded positive therapeutic relationships. Facilitators to therapeutic relationships included feelings heard and understood by providers, comprehensive, timely discharge plans, and thinking broadly about aftercare.ConclusionsCultivating positive therapeutic relationships is especially difficult in resource‐challenged settings. Enhanced client–provider communication and individually tailored aftercare planning can enhance inpatient therapeutic relationships, convey a greater sense of understanding of clients, and facilitate client–provider collaboration.
Parenting practices among parents of children with attention‐deficit/hyperactivity disorder: Gender‐related differences
Authors: Muñoz‐Suazo María Dolores , Navarro‐Muñoz Jesús , Díaz‐Román Amparo , Coronilla‐García Marta , Porcel‐Gálvez Ana María , Gil‐García Eugenia 
Published: October 2019

AbstractObjectiveFurther research is needed on parenting practices among parents of children with attention‐deficit/hyperactivity disorder (ADHD), as these practices impact children's development and outcomes. This study analyzes these practices, distinguishing between parents’ and children's gender.MethodParental warmth (affection–communication and criticism–rejection responses) and control (inductive, strict, and indulgent discipline styles) were assessed in both parents of 81 children diagnosed with ADHD (aged 6–17 years).ResultsMothers reported greater affection–communication responses and use of inductive disciplinary practices than fathers. Higher use of maternal strict practices was associated with female children, regardless of their age, subtype, medication, or comorbidities. However, parental practices used with male children were affected by children's age and subtype.ConclusionsWarmth levels and discipline styles used by parents of children with ADHD may differ depending on the gender of both parents and children. The implications of these findings for understanding gender differences associated with ADHD are discussed.
Bishop Fulton J. Sheen: America’s public critic of psychoanalysis, 1947–1957
Authors: Dennis Paul M. 
Published: October 2019

AbstractThis paper examines the role of Bishop Fulton Sheen in the popularization of Freudian psychoanalysis in the United States during the 1940s and 50s. Social historians argue that Freudian ideas were pervasive in American culture during this period. While their claim speaks mainly to the impact of psychoanalysis on the cultural elite and college educated, they also suggest that Freudian ideas affected ordinary men and women. In the former case, the group impacted is small and not representative of the population as a whole; in the latter, the evidence is sparse and impressionistic. Neglected in their consideration is the influence of Fulton Sheen whose opinions on Freud reached an audience of 30,000,000 during the height of the popularity of his TV show,Life is Worth Living. Sheen's audience was more inclusive and representative of mainstream America. The negative and highly cautionary view of psychoanalysis he presented to many Americans was contrary to that which was promoted to and embraced by many of the college educated and likely shaped both their views of Freud and psychoanalytic therapy.