bluuebunny/crossref_metadata_2025 huggingface dataset:
A Bifunctional Bulky Thienothiophene Derivative; Synthesis, Electronic‐Optical Properties and OLED Applications
Authors: Isci Recep , Tekin Emine , Mucur Selin P. , Ozturk Turan
Published: November 2020

Applying thienothiophenes (TT) as a linker, a bulky bifunctional thienothiophene, TT‐TPA‐TPE3, possessing triphenylamine (TPA) and tetraphenylethylene (TPE) units, was designed, synthesized, and fully characterized. Its optical and electronic properties were explained by UV‐Vis spectroscopy, cyclic voltammetry (CV) and Aggregation‐Induced Emission (AIE) study. TT‐TPA‐TPE3 exhibited positive solvatochromism in the range of solvent polarities from DMF to toluene, displaying emissions from yellowish to bluish between 480–525 nm. Utilizing TT‐TPA‐TPE3 as a hole‐transporting layer, its organic light emitting devices (OLEDs) were fabricated and their performances were investigated. The synthesized emitter exhibited green and blue emissions in device applications. A mega Stoke's shift of 114 nm in THF and a large Stoke's shift of 78 nm on ITO were observed. A maximum luminance of 580 cd m−2 and a turn‐on voltage of 7.01 V were obtained, indicating that TT‐TPA‐TPE3 has a good hole‐transporting ability.
Pd‐Al/AC Catalysts for Direct Synthesis of H2O2 with High Productivity
Authors: Liang Wuyang , Dong Jinfeng , Yao Mengqin , Fu Jinsong , Chen Honglin , Zhang Xiaoming
Published: November 2020

In this study, activated carbon (AC) supported Pd and PdAl bimetallic catalysts were prepared and tested for direct synthesis of hydrogen peroxide (H2O2). The PdAl/AC catalyst showed higher H2O2 productivity (80 mol H2O2 kg−1cat h−1) than Pd/AC catalyst. The characterization results indicated that the addition of Al not only enhanced the content of PdII, but also increased the dispersion of Pd. In PdAl/AC catalysts, Pd was finely dispersed on carbon surface and consisted entirely of the adsorbed PdCl2. It is expected that the increase in the dispersion of Pd and the content of PdII in the fresh catalyst is critical for the improvement of H2O2 production.
Magneto‐structural Studies in Double Chloro‐ and Pseudohalo‐bridged Isomorphic Dinickel(II) Complexes
Authors: Patra Moumita , Brandão Paula , Pikul Adam P. , Adak Sarmistha , Panja Anangamohan
Published: November 2020

Four new complexes, [NiL(NO3)]⋅CH3OH (1), [Ni2L2(μ‐Cl)2] (2), [Ni2L2(μ1,1‐NCO)2] (3) and [Ni2L2(μ1,1‐N3)2] (4) were synthesized from a tetradentate Schiff base (HL), prepared from the condensation reaction of N,N‐dimethyldipropylenetriamine and 5‐bromosalicylaldehyde. X‐ray crystallography reveals that 2–4 are isostructural and isomorphic dinickel(II) compounds with bridging chloride or pseudohalides. All these three dinickel(II) complexes exhibit ferromagnetic interaction through bridging chloride or pseudohalides and their coupling constants are in the order 4>2>3, a replication of the average strength of exchange interactions found in such complexes characterised magnetically. Most importantly, compound 3 is a precious addition to the only four known examples of this family, and unprecedented high degree of structural and magnetic resemblances observed in 2–4 is the major achievement of the present work.
Natural Products Database Screening for the Discovery of Naturally Occurring SARS‐Cov‐2 Spike Glycoprotein Blockers
Authors: Al‐Sehemi Abdullah G. , Olotu Fisayo A. , Dev Sanal , Pannipara Mehboobali , Soliman Mahmoud E. , Carradori Simone , Mathew Bijo
Published: November 2020

SARS‐CoV‐2 coronavirus has been recognized the causative agent of the recent and ongoing pandemic. Effective and specific antiviral agents or vaccines are still missing, despite a large plethora of compounds have been proposed and tested worldwide. New compounds are requested urgently and virtual screening can offer fast and robust predictions to investigate. Moreover, natural compounds were shown to exert antiviral effects and can be endowed with limited side effects and wide availability. Our approach consisted in the validation of a docking protocol able to refine the most suitable candidates, within the 31000 natural compounds of the natural product activity and species source (NPASS) library, interacting with the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) spike glycoprotein. After the refinement process two natural compounds, castanospermine and karuquinone B, were shown to be the best‐in‐class derivatives in silico able to target an essential structure of the virus and to act in the early stage of infection.
Research Progress on Catalysts for the Electrocatalytic Oxidation of Methanol
Authors: Ding Chengxiu , Dong Fang , Tang Zhicheng
Published: November 2020

The methanol oxidation reaction has high energy density and the product is non‐toxic and harmless (CO2, H2O), making it become one of the targets of new fuel energy. To maximize the efficiency of the reaction, its key lies in the development of highly efficient catalysts. In this paper, we reviewed the types of methanol electrocatalytic oxidation catalysts in recent years, some new preparation methods, and the reaction mechanism of different types of catalyst systems, and discussed their structure‐activity relationships, laying the foundation for the development of highly efficient new catalysts in the future. And this paper is included on the types of catalysts (Pt‐based catalyst, Ni‐based catalyst, and other transition metal‐based catalyst) and preparation methods (Reduction method, sol‐gel method, in‐situ method), and discussed the catalytic mechanism which mainly starts from two aspects, one is adsorption‐desorption, the other is the bond between the catalyst, methanol, and the medium. Finally, the future challenges and opportunities of the electrocatalytic oxidation of methanol are discussed.
Deciphering the Inhibitory Mechanism of hIAPP‐Derived Fragment Peptide Against hIAPP Aggregation in Type 2 Diabetes**
Authors: Kaur Apneet , Goyal Bhupesh
Published: November 2020

The aggregates of human islet amyloid polypeptide (hIAPP or amylin) are well‐known causative agents of type 2 diabetes (T2D). Previous experimental studies reported that hexapeptide ANFLVH inhibited IAPP aggregation and completely prevented IAPP‐mediated toxicity. However, the underlying inhibitory mechanism at the atomic level is not completely understood. In this regard, the molecular mechanism of the inhibition of hIAPP aggregation in the presence of ANFLVH has been elucidated by molecular dynamics (MD) simulations in the present study. MD simulation analysis highlighted that ANFLVH prevented the conformational transition of hIAPP by stabilizing the native helical conformation. The binding free energy analysis by the molecular mechanics Poisson‐Boltzmann surface area (MM‐PBSA) method highlighted favourable binding (ΔGbinding=−49.90±0.67 kcal/mol) of ANFLVH with hIAPP and depicted a significant contribution of the van der Waals interaction term (ΔEvdW=−46.33±0.32 kcal/mol) in the stability of the hIAPP‐ANFLVH complex. The per‐residue binding free energy highlighted that ANFLVH strongly interacted with His18 of hIAPP, which has been reported as a key residue in mediating the hIAPP self‐assembly process. The present work sheds light on the inhibitory mechanism of ANFLVH against hIAPP aggregation at the atomic level. The study will guide the rational design and development of therapeutic candidates against hIAPP aggregation in T2D.
Synthesis, Molecular Docking, and DFT Calculation of a Half‐Strapped BODIPY as Potential EGFR Inhibitor**
Authors: Parveen Shazia , Alnoman Rua B. , Hagar Mohamad , Ahmed Hoda A. , Knight Julian G.
Published: November 2020

The identification of drug candidates inhibiting specific cellular functions in cancer cell progression is reflected as a key in cancer treatment. The overexpression of epidermal growth factor receptor, EGFR is witnessed in a huge number of cancers. Hence targeting the EGFR and its downstream signaling cascades are considered as a coherent approach in cancer therapy. Keeping this in view, we have synthesized six 4,4‐Difluoro‐4‐bora‐3a,4a‐diaza‐s‐indacene/boron‐dipyrromethene (BODIPY) compounds, 1–6. Absorption, distribution, metabolism and excretion (ADME) and Lipinski's drug likeness of compounds 1–6 was predicted revealing that they exhibited promising physicochemical properties for oral bioavailability. Molecular docking results revealed that compound 6 displayed highest lipophilicity, hence strongest binding to the protein (ΔG=−8.78 kcal/mol) as compared to compounds 4 and 5. The density functional calculations have been investigated to validate the evidence about the reactivity of the compounds as inhibitors. These results were illustrated in terms of the chemical reactivity descriptors and the molecular electrostatic potential (MEP). Compound 6 showed the highest lying HOMO (highest occupied molecular orbital), the smallest energy gap between the FMOs (Frontier molecular orbitals) and the lowest basicity index, all of these parameters could affect the binding affinity, to different extents, to impact the degree of the binding of compound 6 with the active protein sites.
Deep Eutectic Solvent Promoted Regioselective Synthesis of Densely Functionalized Mono and Bisindolylalkenes from β‐Ketodithioesters
Authors: Devi Thokchom Jeeta , Singh Thokchom Prasanta , Singh Rajkumar Romeshkumar , Singh Elangbam Holender , Singh Okram Mukherjee
Published: November 2020

The inherent ambident reactive sites (electrophilic and nucleophilic) of β‐ketodithioesters (β‐KDEs) have been realised by treating them with indoles and indole‐3‐carbaldehydes resulting with the formations of two different types of densely functionalized alkenes. Knoevenagel condensations of β‐KDEs with indole aldehydes have been conducted smoothly using the eco‐friendly deep eutectic solvent (DES) medium to yield monoindole substituted alkenes. On the other hand, C‐3 alkylation of indoles with α‐oxoketene S,S‐acetal by conjugate‐addition‐substitution pathway resulted in the regioselective synthesis of bisindoloyl alkenes in DES medium.
Computational Investigation of the Mechanism of FLP Catalyzed H2Activation and Lewis Base Assisted Proton Transfer
Authors: Sultana Munia , Paul Ankan , Roy Lisa
Published: November 2020

Density functional calculations have been performed to elucidate the mechanism of formation ofN‐phenylbenzylamine (Am) from alkylation of aniline (An) with benzaldehyde (Bz), with the intermediacy of the imine,N‐benzylideneaniline (Im), catalyzed by the triaryl borane (BAr3), B(2,6‐Cl2C6H3)(p‐HC6F4)2, and utilizing H2as the reductant. Our computational investigation reveals that H2activation byBAr3/LB(LB=Lewis Base;An,Im,THForBz) frustrated Lewis pairs (FLPs) proceeds through a stepwise mechanism consisting of initial H2capture followed by heterolytic H−H cleavage, via a 3c–2e H2coordinated borane species. H2activation subsequently leads to a H2dissociated ion pair, overcoming energy barriers (31 kcal/mol at M06‐2X/6‐311++G(d,p)) accessible at the experimental temperature (100 °C). Consequently, the iminium hydridoborate ion pair, [BAr3‐H]−[Im‐H]+, undergoes hydride transfer from boron (−BH) to the imine carbon (−C=N−) and develops the targeted amine. Furthermore, we also identify the crucial role of an unbound aniline and imine which actively participates in proton shuttle mechanism from a coordinated aniline to −C=O of benzaldehyde to generate the desired imine, along with the release of water.
I2‐Catalyzed Intermolecular Cyclization to Synthesis of 3‐Acylated Indolizines
Authors: Zheng Jing , Chen Linli , Liu Xiaojuan , Xu Wenju , Wang Yan , He Qin , Liu Hanqing , Ye Min , Luo Guotian , Chen Zhengwang
Published: November 2020

Indolizine is one of the important nitrogen containing heterocycles due to their wide range of bioactivities. A convenient and efficient intermolecular cyclization reaction catalyzed by I2 was developed, affording 3‐acylated indolizines in good to excellent yields. 2‐Pyridylacetonitrile, 2‐pyridylacetone and 2‐pyridylacetamides were all compatible, and water was considered as the source of the carbonyl oxygen in the products. Furthermore, the conjugated enynenitriles were afforded from 2‐pyridylacetonitrile with ynals in high yields.
Base‐free Suzuki‐Miyaura Coupling of (Z)‐Trifluoromethyl Alkenyltriflates: An Efficient Approach to α‐Trifluoromethyl Arylenes
Authors: Zhang Chunxia , Li Dong , Zhao Yilong , Zhao Jinfeng , Qu Jingping , Zhou Yuhan
Published: November 2020

An exogenous base is generally necessary for the traditional palladium‐catalyzed Suzuki‐Miyaura coupling reactions. We report a direct palladium‐catalyzed base‐free Suzuki‐Miyaura coupling reaction of α‐trifluoromethyl alkenyl triflates and aryl boric acids. Using Pd(OAc)2 (10 mol %) and PPh3 (40 mol %) as catalyst, this reaction proceeds smoothly without base or other additive. A variety of common functional groups, such as methyl, phenyl, naphthyl, fluoride, chloride, bromide, cyano, thienyl and alkyl, were well tolerated and a series of α‐trifluoromethyl arylenes were obtained in 84 %–100 % yields.
The budding yeast life cycle: More complex than anticipated?
Authors: Fischer Gilles , Liti Gianni , Llorente Bertrand
Published: November 2020

The budding yeast, Saccharomyces cerevisiae, has served as a model for nearly a century to understand the principles of the eukaryotic life cycle. The canonical life cycle of S. cerevisiae comprises a regular alternation between haploid and diploid phases. Haploid gametes generated by sporulation are expected to quickly restore the diploid phase mainly through inbreeding via intratetrad mating or haploselfing, thereby promoting genome homozygotization. However, recent large population genomics data unveiled that heterozygosity and polyploidy are unexpectedly common. This raises the interesting paradox of a haplo‐diplobiontic species being well‐adapted to inbreeding and able to maintain high levels of heterozygosity and polyploidy, thereby suggesting an unanticipated complexity of the yeast life cycle. Here, we propose that unprogrammed mating type switching, heterothallism, reduced spore formation and viability, cell–cell fusion and dioecy could play key and uncharted contributions to generate and maintain heterozygosity through polyploidization.
Sozialmedizinische Interventionen in der Richtlinienpsychotherapie
Authors: Schymainski David , Linden Michael , Schmitt Georg , Rose Mathias
Published: November 2020

Hintergrund

Viele psychische Störungen nehmen einen Langzeitverlauf und gehen daher mit sozialen und beruflichen Teilhabeeinschränkungen einher. Dies gilt auch für Patienten in der Richtlinienpsychotherapie. Um eine ganzheitliche Versorgung zu gewährleisten, sind u. a. sozialmedizinische Interventionen erforderlich, wozu die Koordinierung mit anderen Therapeuten, Kontakte zum Arbeitgeber oder zu arbeitsrelevanten Institutionen, häusliche und freizeitbezogene Hilfen oder soziale Unterstützungsmaßnahmen gehören. Es stellt sich die Frage, welche derartigen sozialmedizinischen Interventionen zum Repertoire von Richtlinienpsychotherapeuten in ihrem Arbeitsalltag gehören.

Material und Methoden

Es wurden 131 psychologische Psychotherapeuten gebeten, anhand eines Glossars mit 38 sozialmedizinischen Interventionen anzugeben, welche davon sie in ihrer täglichen Praxis anwenden.

Ergebnisse

Alle Maßnahmen kamen zur Anwendung. Im Durchschnitt gaben die Therapeuten an, dass ihnen von den 38 Interventionen eine nicht bekannt war, sie mit ca. 14 Interventionen nach eigener Einschätzung nie, mit 8 weniger als einmal/Jahr, mit 8 einmal/Jahr und mit 6 einmal/Quartal befasst waren.

Schlussfolgerung

Die vorliegenden Daten zeigen, dass sozialmedizinische Interventionen zum Repertoire vieler Psychotherapeuten gehören. Allerdings finden sich Unterschiede zwischen den Therapeuten, hinsichtlich des Bekanntheitsgrads und der Anwendung sozialmedizinischer Interventionen. Das weist auf Optimierungspotenziale in der Ausbildung, Organisation und Vergütung hin.
Thiamazol-induzierte Arthritis
Authors: Brinkman Antonia , Schneider Udo , Buttgereit Frank , Burmester Gerd , Krusche Martin
Published: November 2020

Wir berichten über den Fall eines 42-jährigen Patienten mit akuter asymmetrischer Polyarthritis der großen und mittelgroßen Gelenke sowie Fieber und erhöhten serologischen Entzündungszeichen. Die Symptomatik begann kurz nach Beginn einer Thiamazol-Therapie bei neu diagnostiziertem Morbus Basedow. Eine durch Thionamide ausgelöste Arthritis wird auch als „antithyroid arthritis syndrome“ (AAS) bezeichnet und ist eine seltene unerwünschte medikamentöse Nebenwirkung. Klinisch kann sich das Krankheitsbild mit Myalgien, Arthralgien, Fieber, Hautausschlag und Polyarthritis präsentieren. Bei Verdacht auf ein AAS sollte die Thionamid-Medikation in Rücksprache mit dem Endokrinologen nach Möglichkeit zeitnah abgesetzt oder umgestellt werden. In einigen Fällen ist eine antiinflammatorische Therapie mit NSAR oder Glukokortikoiden zur Symptomkontrolle nötig.
Effective measures to foster girls’ interest in secondary computer science education
Authors: Happe Lucia , Buhnova Barbora , Koziolek Anne , Wagner Ingo
Published: November 2020

The interest of girls in computing drops early during primary and secondary education, with minimal recovery in later education stages. In combination with the growing shortage of qualified computer science personnel, this is becoming a major issue, and also a target of numerous studies that examine measures, interventions, and strategies to boost girls’ commitment to computing. Yet, the results of existing studies are difficult to navigate, and hence are being very rarely employed in classrooms. In this paper, we summarize the existing body of knowledge on the effective interventions to recruit and retain girls in computer science education, intending to equip educators with a comprehensive and easy-to-navigate map of interventions recommended in the existing literature. To this end, we perform an aggregated umbrella literature review of 11 existing reviews on the topic, together accumulating joined knowledge from over 800 publications, and formulate the findings in a map of 22 concrete interventions structured in six groups according to their phase and purpose.
Performance of Green Roofs for Rainwater Control
Authors: Raimondi A. , Becciu G.
Published: November 2020

Green roofs can be an effective tool for sustainable urban drainage, since they reduce and retain runoff by delaying its peak. Most studies analysing the retention capacity of green roofs are usually referred to a specific place and roof condition and do not consider the possibility that the roof could be partially pre-filled from previous rainfalls at the beginning of the given event. The aim of this paper is to develop an analytical probabilistic approach to evaluate green roof performance for stormwater control in terms of runoff that could be applied for different sites and climate conditions. To this end, the possibility that the green roof retention capacity could not be completely available owing to pre-filling from previous rainfall events has been considered and equations for an optimum green roof design, relating the runoff average return interval to the water retention capacity, have been proposed. The influence of parameters affecting the runoff process has been examined in depth and a case study to test the goodness of fit of the resulting equations has been developed.
Gene flow among wild and cultivated common walnut (Juglans regia) trees in the Qinling Mountains revealed by microsatellite markers
Authors: Zhou Huijuan , Zhao Peng , Woeste Keith , Zhang Shuoxin
Published: November 2020

Patterns of gene flow and gene introgression can be used to assess the risk of genetic pollution of wild forest trees from widespread cultivated trees. A comprehensive understanding of the genetic relationships and levels of gene flow among wild and cultivated common walnut (Juglans regia) has become an urgent issue. Using twelve microsatellite markers, we investigated the genetic diversity and gene flow between cultivated and wild trees of J. regia in the Qinling Mountains, China. A high level of genetic variation was detected in both cultivated and wild trees. The mean number of alleles per locus was 17.5. Observed heterozygosity (HO) and expected heterozygosity (HE) were 0.777 and 0.800, respectively. Pollination of mother trees was not by nearest neighbors, and a paternity of 60.7% of offspring evaluated could not be assigned to a local, sampled tree. Pollen flow from cultivated trees to wild trees was infrequent (5.4%), and selfing rates ranged from zero to 25.0%. Male parents were located from 0 to 1005 m from their female partners, with an average pollination distance of 285.1 m. These results are discussed in light of the cultivated species' diversity, outlining the frequent spontaneous genetic contributions from the wild to the cultivated compartment. In addition, the pollen flow parameters provide useful information about the dynamics of pollen movement within J. regia populations.
Diagnostic value of the electrocardiogram in the assessment of prior myocardial infarction
Authors: Lobeek M. , Badings E. , Lenssen M. , Uijlings R. , Koster K. , van ’t Riet E. , Martens F. M. A. C.
Published: November 2020

Background

The best available imaging technique for the detection of prior myocardial infarction (MI) is cardiac magnetic resonance (CMR) with late gadolinium enhancement (LGE). Although the electrocardiogram (ECG) still plays a major role in the diagnosis of prior MI, the diagnostic value of the ECG remains uncertain. This study evaluates the diagnostic value of the ECG in the assessment of prior MI.

Methods

In this retrospective study, data from electronic patient files were collected of 1033 patients who had undergone CMR with LGE between January 2014 and December 2017. After the exclusion of 59 patients, the data of 974 patients were analysed. Twelve-lead ECGs were blinded and evaluated for signs of prior MI by two cardiologists separately. Disagreement in interpretation was resolved by the judgement of a third cardiologist. Outcomes of CMR with LGE were used as the gold standard.

Results

The sensitivity of the ECG in the detection of MI was 38.0% with a 95% confidence interval (CI) of 31.6–44.8%. The specificity was 86.9% (95% CI 84.4–89.1%). The positive and negative predictive value were 43.6% (95% CI 36.4–50.9%) and 84.0% (95% CI 81.4–86.5%) respectively. In 170 ECGs (17.5%), the two cardiologists disagreed on the presence or absence of MI. Inter-rater variability was moderate (κ 0.51, 95% CI 0.45–0.58, p < 0.001).

Conclusion

The ECG has a low diagnostic value in the detection of prior MI. However, if the ECG shows no signs of prior MI, the absence of MI is likely. This study confirms that a history of MI should not be based solely on an ECG.
Mantram Repetition as a Portable Mindfulness Practice: Applications During the COVID-19 Pandemic
Authors: Oman Doug , Bormann Jill E. , Kane Jim J.
Published: November 2020

Objective

Mantram or holy name repetition has long been practiced in every major religious tradition. Repetition of a mantram as a mindfulness practice is helpful for stress management and resilience building. The objective of this article is to provide an overview of the key features of mantram and the Mantram Repetition Program (MRP) developed in the US Veterans Healthcare System, the evidence base for the MRP, and its applications.

Methods

MRP practices are portable and do not require an extended or regularized period of sitting, in contrast to most methods of meditation. Core functions of MRP practices include focus shifting, frame activation, and fostering of mindfulness. We review scientific research, including multiple randomized trials, that has investigated the MRP.

Results

Research on the MRP has documented reductions in posttraumatic stress symptoms, insomnia, hyperarousal, and depression, as well as enhancement of quality of life, self-efficacy, and mindfulness. Mantram repetition may possess comparative advantages for managing symptoms of various mental health conditions, including posttraumatic stress disorder, HIV/AIDS, cancer, and chronic diseases.

Conclusions

MRP practices can be integrated into daily routines to manage stress and improve coping, safety, efficacy, calmness, and resilience. The inclusion of mantram repetition alongside conventional mindfulness-based practices for stress management will improve their cultural and religious inclusiveness, enabling societies and organizations to build greater collective resilience. Mantram repetition can be readily used in the COVID-19 pandemic, focusing on healthcare workers, patients, and the public.
Inferences and Optimal Censoring Schemes for Progressively First-Failure Censored Nadarajah-Haghighi Distribution
Authors: Ashour Samir K. , El-Sheikh Ahmed A. , Elshahhat Ahmed
Published: November 2020

A new extension of the exponential distribution, proposed by Nadarajah and Haghighi (Statistics45, 543–558 (2011)), is an alternative to the gamma, Weibull and generalized-exponential models, it is also known as NH distribution. The maximum likelihood and Bayes inferential approaches for estimating the unknown two-parameters and some lifetime parameters such as survival and hazard rate functions of the NH distribution in presence of progressive first-failure censored sampling are considered. Based on observed Fisher’s information matrix, the approximate confidence intervals for the two-parameters, and any function of them, are constructed. Using Lindley’s approximation and Markov chain Monte Carlo methods under the assumption of conjugate gamma priors, the Bayes estimates and associate highest posterior density credible intervals for the unknown parameters and reliability characteristics are developed based on squared error loss function. Although the proposed estimators cannot be expressed in explicit forms, these can be easily obtained through the use of appropriate numerical techniques. A Monte Carlo simulation study is carried out to examine the performance of proposed methods. Using different optimality criteria, an optimal censoring scheme has been suggested. Finally, a real data set is analyzed for illustration purposes.
PSA et IRM: comment s’en servir de façon raisonnable pour la détection du cancer de la prostate
Authors: Villani Riccardo , Roosendaal Astrid , Hämmerli Pauline , Iselin Christophe E.
Published: November 2020

Le cancer de la prostate est la deuxième tumeur la plus fréquemment diagnostiquée chez les hommes. Elle est responsable d’un impact significatif sur la mortalité ou la qualité de vie des patients, mais, contrairement à d’autres tumeurs, est parfois une maladie à lente progression.

Une détection précoce avec dosage de lʼantigène prostatique spécifique (PSA) et un toucher rectal doit être proposé à tout sujet masculin bien informé sur ses conséquences.

Le double but du dépistage est de diagnostiquer les cancers potentiellement mortels ou causant une morbidité importante, tout évitant la mise en place d’investigations et traitements agressifs pour des maladies de bas grade, surtout chez les patients âgés.

Le PSA est un marqueur sensible mais non spécifique et son dosage doit être accompagné d’un contexte clinique précis, pour éviter la réalisation de biopsies superflues.

Lʼimagerie par résonance magnétique multiparamétrique est un examen essentiel avant l’éventuelle réalisation d’une biopsie ainsi que pour la stadification et le suivi du cancer de la prostate (CaP).

Des nouveaux biomarqueurs plus spécifiques sont attendus de longue date pour améliorer la détection précoce du CaP.
Modeling of solid-particle effects on bubble breakage and coalescence in slurry bubble columns
Authors: Mühlbauer Adam , Hlawitschka Mark W. , Bart Hans-Jörg
Published: November 2020

Solid particles heavily affect the hydrodynamics in slurry bubble columns. The effects arise through varying breakup and coalescence behavior of the bubbles with the presence of solid particles where particles in the micrometer range lead to a promotion of coalescence in particular. To simulate the gas-liquid-solid flow in a slurry bubble column, the Eulerian multifluid approach can be employed to couple computational fluid dynamics (CFD) with the population balance equation (PBE) and thus to account for breakup and coalescence of bubbles.

In this work, three approaches are presented to modify the breakup and coalescence models to account for enhanced coalescence in the coupled CFD-PBE framework. The approaches are applied to a reference simulation case with available experimental data. In addition, the impacts of the modifications on the simulated bubble size distribution (BSD) and the applicability of the approaches are evaluated. The capabilities as well as the differences and limits of the approaches are demonstrated and explained.
Adsorption of pharmaceuticals from aqueous solutions using biochar derived from cotton gin waste and guayule bagasse
Authors: Ndoun Marlene C. , Elliott Herschel A. , Preisendanz Heather E. , Williams Clinton F. , Knopf Allan , Watson John E.
Published: November 2020

Biochars produced from cotton gin waste (CG) and guayule bagasse (GB) were characterized and explored as potential adsorbents for the removal of pharmaceuticals (sulfapyridine-SPY, docusate-DCT and erythromycin-ETM) from aqueous solution. An increase in biochar pyrolysis temperature from 350 οC to 700 οC led to an increase in pH, specific surface area, and surface hydrophobicity. The electronegative surface of all tested biochars indicated that non-Coulombic mechanisms were involved in adsorption of the anionic or uncharged pharmaceuticals under experimental conditions. The adsorption capacities of Sulfapyridine (SPY), Docusate (DCT) and Erythromycin (ETM) on biochar were influenced by the contact time and solution pH, as well as biochar specific surface area and functional groups. Adsorption of these pharmaceutical compounds was dominated by a complex interplay of three mechanisms: hydrophobic partitioning, hydrogen bonding and π–π electron donor–acceptor (EDA) interactions. Despite weaker π–π EDA interactions, reduced hydrophobicity of SPY− and increased electrostatic repulsion between anionic SPY− and the electronegative CG biochar surface at higher pH, the adsorption of SPY unexpectedly increased from 40% to 70% with an increase in pH from 7 to 10. Under alkaline conditions, adsorption was dominated by the formation of strong negative charge-assisted H-bonding between the sulfonamide moiety of SPY and surface carboxylic groups. There seemed to be no appreciable and consistent differences in the extent of DCT and ETM adsorption as the pH changed. Results suggest the CG and GB biochars could act as effective adsorbents for the removal of pharmaceuticals from reclaimed water prior to irrigation. High surface area biochars with physico-chemical properties (e.g., presence of functional groups, high cation and anion exchange capacities) conducive to strong interactions with polar-nonpolar functionality of pharmaceuticals could be used to achieve significant contaminant removal from water.

Graphic Abstract
A randomized controlled trial on comparison of colon cleansing for colonoscopy bowel preparation using one-day or two-day regimen methods
Authors: Azadbakht Saleh , Azadbakht Morteza , Azadbakht Salehe , Esmaili Alireza , Rahmani Parisa
Published: November 2020

ABSTRACT

Background:

Adequate bowel cleansing prior to colonoscopy is important to achieve clearer view of the bowel and ease diagnosis.

Objective:

This study was performed to compare colon cleansing prior to colonoscopy using one-day and two-day regimens.

Method:

This study is a randomized controlled clinical trial, the patients were randomly allotted in one-day or two-day colon cleansing groups Polyethylene glycol was used as a laxative agent and colonoscopy was performed either on one-day following the bowel cleansing or non-next day (two-day) after the bowel cleansing. Statistical analysis was performed by SPSS software (version 22).

Results:

Overall, the two groups had 52 patients and were not significantly different in terms of age and gender. The mean duration of colonoscopy in the one-day group was 9.44 min and in the two-day diet group was 10.5 min, which was also not significantly different, P = 0.098. Total colon cleansing in one-day was acceptable in 94.2% and unacceptable in 5.8% patients. The two-day clearance rate was 80.8% and unacceptable clearance 19.2% patients, which was statistically significant, p = 0.038.

Conclusion:

The total colon cleansing was better in one-day regime group. The two groups did not different in terms of side effects and these effects were not associated with age and the gender of the patients.

Highlights:
WHY DOES A HUMAN DIE? A STRUCTURAL APPROACH TO COHORT-WISE MORTALITY PREDICTION UNDER SURVIVAL ENERGY HYPOTHESIS
Authors: Shimizu Yasutaka , Minami Yuki , Ito Ryunosuke
Published: November 2020

We propose a new approach to mortality prediction under survival energy hypothesis (SEH). We assume that a human is born with initial energy, which changes stochastically in time and the human dies when the energy vanishes. Then, the time of death is represented by the first hitting time of the survival energy (SE) process to zero. This study assumes that SE follows a time-inhomogeneous diffusion process and defines the mortality function, which is the first hitting time distribution function of the SE process. Although SEH is a fictitious construct, we illustrate that this assumption has the potential to yield a good parametric family of cumulative probability of death, and the parametric family yields surprisingly good predictions for future mortality rates.
Evaluating a CTSA-funded pilot grant program
Authors: Morozumi Kalene , Patel Tanha , Kerr Paul , Cassely Mary Beth , Carey Timothy , Buse John , Carnegie Andrea , Egan Tom , Dave Gaurav
Published: November 2020

Introduction:

Pilot programs are integral to catalyzing and accelerating research at Clinical and Translational Science Award (CTSA) hubs. However, little has been published about the structure and operationalization of pilot programs or how they impact the translational research enterprise at CTSAs. The North Carolina Translational and Clinical Science Institute (NC TraCS), the CTSA hub at the University of North Carolina at Chapel Hill (UNC-CH) conducted an evaluation case study to describe the pilot program structure, assess process outcomes, and provide a framework for other institutions to utilize for the evaluation of their respective pilot programs.

Methods:

We describe the operationalization of our pilot program, the evaluation framework utilized to evaluate the program, and how we analyzed available data to understand how our pilot funding opportunities were utilized by investigators. We calculated application volumes and funding rates by investigator position title and pilot application type. We also reviewed feedback provided by pilot Principal Investigators (PIs) to understand how many pilot projects were completed, NC TraCS service utilization, and barriers to research. Limited data on publications and subsequent funding was also reviewed.

Results:

Between 2009 and 2019 the NC TraCS Pilot Program received 2343 applications and funded 933 projects, ranging from $2000 to $100,000 in amount, with an overall funding rate of 39.8%. Utilization of NC TraCS services had positive impacts on both resubmission funding and project completion rates.

Conclusion:

This process evaluation indicates that the program is being operationalized in a way that successfully fulfills the program mission while meeting the needs of a diverse group of researchers.
The Transnational Mining Justice Movement: Reflecting on Two Decades of Law Reform Activism in the Americas
Authors: KAMPHUIS CHARIS
Published: November 2020

This article tracks the activism of the mining justice social movement since the late 1990s. As a starting point, this movement is conceptualized as a transnational political project that seeks to transform the terms of corporate resource extraction pursuant to the political and legal arrangements of neo-liberal economic globalization. In this context, the author reflects on the movement’s most significant human rights-oriented law reform projects in the Americas: Indigenous peoples’ right-to-consultation legislation in several Latin American countries and a series of non-judicial grievance mechanisms in Canada in response to the right to remedy norm in international law. Drawing on existing research, the author concludes that in both cases the state has responded with law and policy reforms that fall far short of achieving advocates’ objectives. The author argues that these shortcomings are due in part to the persistence of three liberal/neo-liberal ideologies in the reforms in question: formalism, voluntarism, and privatism. To better understand and explain these findings, the author turns to three critical theories of human rights legal activism: pragmatism, left critique/critical legal liberalism, and counter-hegemony. Examining the work of a range of scholars writing under the banner of each theory, the author identifies key debates and insights that may be instructive as the mining justice movement, and related social and environmental justice movements, continue to aspire towards a law reform agenda capable of addressing pressing global environmental and social justice issues.
Tracking and Nudging through Smartphone Apps: Public Health and Decisional Privacy in a European Health Union
Authors: VAN ZEBEN Josephine , KAMPHORST Bart A.
Published: November 2020

In response to the SARS-CoV-2 pandemic, European Union (EU) Member States adopted technological solutions aimed at mitigating the effects of the virus, as well as enforcing newly adopted public health measures. Examples include apps for disseminating information, performing self-diagnosis, enforcing home quarantine orders and aiding contact tracing. This extensive use of technology for tracking and promoting public health raises important questions regarding EU citizens’ privacy. Thus far, the discourse in this regard has predominantly revolved around data protection, the risk of surveillance and the right to control access over one’s personal information (informational privacy). In light of the push towards a more unified approach to mitigating the current pandemic and future health crises through a European Health Union (EHU), we consider a different dimension of privacy that may be at risk when employing technology for public health, namely the right to non-interference with one’s decisions (decisional privacy). In particular, this article focuses on whether the advances in health-related persuasive technology, together with a more general movement towards “nudging” as an individual and public health tool, will require EU legislation to further protect decisional privacy by regulating “hypernudging” technologies and to guide the EHU in coordinating public health measures that utilise these technologies in a privacy-preserving way.
A “Quiet Victory”: National Provincial, Gibson Hall, and the Switch from Comprehensive Redevelopment to Urban Preservation in 1960s London
Authors: BARNES VICTORIA , NEWTON LUCY , SCOTT PETER
Published: November 2020

The Victorian City of London’s financial center expanded and renewed its building infrastructure virtually unimpeded by considerations of urban preservation, conservation, or public opinion. The next phase of massive rebuilding, during the long post-1945 boom, appeared likely to follow the same pattern. However, by the mid-1960s, the freedom of City office owner-occupiers and developers to do as they wished with their buildings had become substantially constrained by rising conservationist sentiment. This paper explores this process through the history of the design, building, and eventual aborted demolition of Gibson Hall, the Bishopsgate headquarters of National Provincial Bank for over a century. This paper charts the life of Gibson Hall, in particular its conception, design, and, ultimately, its attempted redevelopment. We also consider the long-term consequences of the rebalancing between economic and conservation objectives for the nature of British urban redevelopment and the adoption of a “throwaway” business headquarters style—to remove any risk of popular support for preservation.
“We Are Our History”: Reviewing the History of Education in Hawaiʻi and Oceania
Authors: Taira Derek
Published: November 2020

There is a “world of difference,” anthropologist Epeli Hauʻofa argued, “between viewing the Pacific as ‘islands in a far sea’ and as ‘a sea of islands.’” The distinction between both perspectives, he explained, is exemplified in the two names used for the region: Pacific Islands and Oceania. The former represents a colonial vision produced by white “continental men” emphasizing the smallness and remoteness of “dry surfaces in a vast ocean far from centers of power.” This understanding has produced and sustained an “economistic and geographic deterministic view” emphasizing Pacific Island nations as “too small, too poor, and too isolated” to take care of themselves. The latter, in contrast, denotes a grand space inhabited by brave and resourceful people whose myths, legends, oral traditions, and cosmologies reveal how they did not conceive of themselves in such “microscopic proportions.” Rather, Oceanic peoples have for over two millennia viewed the sea as a “large world” where peoples, goods, and cultures moved and mingled unhindered by fixed national boundaries.
Medicine in Gaelic Ireland and Scotland, c.1350–c.1750
Authors: Grace Pierce
Published: November 2020

Between c.1350 and c.1750 a small group of professional hereditary physicians served the Gaelic communities of Ireland and Scotland. Over fifty medical kindreds provided advice regarding health maintenance and treatment with herbs and surgery. Their medical knowledge was derived from Gaelic translations of medieval European Latin medical texts grounded in the classical works of Hippocrates and Galen, and the Arab world. Students studied in medical schools where they copied and compiled medical texts in Irish, some for use as handbooks. Over 100 texts are extant. Political upheaval and scientific advances led to the eclipse of this medical world. Through examination of the Gaelic medical manuscripts and other sources this article provides an assessment of medicine in Gaelic Ireland and Scotland from the mid-fourteenth to the mid-eighteenth centuries.
The afterlives of Galway jail, ‘difficult’ heritage, and the Maamtrasna murders: representations of an Irish urban space, 1882–2018
Authors: Butler Richard J.
Published: November 2020

This article explores the spatial history and ‘afterlives’ of Galway jail, where an innocent man, Myles Joyce, was executed in 1882 following his conviction for the Maamtrasna murders; in 2018 he was formally pardoned by President Michael D. Higgins. The article traces how the political and cultural meanings of this incident were instrumentalised in the building of Ireland's last Catholic cathedral on the site of the former Galway jail. It analyses how the site was depicted – in different ways and at different moments – as one of justice, of injustice, of triumph, and of redemption. It investigates how these different legacies were instrumentalised – or at times ignored – by Irish nationalists and later by the Catholic bishop of Galway, Michael Browne. It uses Joyce's execution to explore the site's legacy, an incident that at times dominated its representations but at other moments faded from prominence. The article situates the former jail site within theoretical writings on memorialisation, ‘difficult’ heritage, and studies of architectural demolition, while also commenting on mid twentieth-century Irish Catholic politics and culture.
Historical revisit: Mythistory and the making of Ireland: Alice Stopford Green's undoing
Authors: Mitchell Angus
Published: November 2020

The publication in 1908 of The making of Ireland and its undoing, 1200–1600 by the London-based Irish historian, Alice Stopford Green, provoked a controversy that reveals much about the deepening political tensions at the heart of historical practice in the decade before 1916. Stopford Green took a deliberately controversial approach to the rewriting of medieval Ireland that triggered a bombardment of both positive and negative reactions. Supporters of Irish home rule applauded the work for its innovative analysis and contemporary relevance. But the book elicited a flurry of exasperation from a united front of ‘history men’, who dismissed Stopford Green and her work as ‘political’ and largely fictitious. Anticipating the reaction from a profession that was predominantly sympathetic to a unionist interpretation, Stopford Green had a well-prepared plan that harnessed both her gender and her transnational networks of influence to maximise the dissemination of her radical reimagining of the late medieval Gaelic world. By understanding these deeper strategies of defiance, Alice Stopford Green's history might be reclaimed as a key intervention in the structuring of both Ireland's national tradition and collective consciousness in preparation for independence.
New cynodonts (Therapsida, Eucynodontia) from the Late Triassic of India and their significances
Authors: Bhat Mohd Shafi , Ray Sanghamitra , Datta P. M.
Published: November 2020

The Upper Triassic Tiki Formation of India has yielded several new cynodont taxa, which are described on the basis of multiple isolated teeth and a jaw fragment. A new species of dromatheriid,Rewaconodon indicus, is defined by a tri- and tetracuspid asymmetric crown, long anterior edge of the major cuspa, cingular cuspsdandf, and marked constriction at the crown-root junction. Another new dromatheriid,Inditherium florisn. gen. n. sp., is characterized by a broad, flower-shaped pentacuspid crown, multiple cingular cusps, and a weak lingual cingulum is also described from the same horizon. In addition, a new mammaliamorph taxon,Tikiodon cromptonin. gen. n. sp., is established on a tooth specimen, which has a shovel-shaped crown, three closely spaced main cusps, a pronounced lingual cingulum with multiple cingular cusps, and a root of incomplete root bifurcation. Such a tooth morphology occupies an intermediate position between the non-mammalian cynodonts and the early mammals, as is evident from the co-occurrence of various cynodont dental morphotypes in the Tiki Formation. Moreover, Late Triassic cynodonts occurred along narrow belts demarcated by paleolatitudes, though the Indian fauna shows both Laurasian and Gondwanan affinities.

UUID:http://zoobank.org/c2c575ad-ee23-4f33-8a30-661c548a5b17
Predicted Probabilities and Inference with Multinomial Logit
Authors: Paolino Philip
Published: November 2020

Multinomial logit (MNL) differs from many other econometric methods because it estimates the effects of variables upon nominal, not ordered outcomes. One consequence of this is that the estimated coefficients vary depending upon a researcher’s decision about the choice of a reference, or “baseline,” outcome. Most researchers realize this in principle, but many focus upon the statistical significance of MNL coefficients for inference in the same way that they use the coefficients from models with ordered dependent variables. In some instances, this leads researchers to report statistics that do not reflect the correct quantities of interest and reach flawed conclusions. In this note, I argue that researchers need to orient their approach to analyzing both the substantive and statistical significance of predicted probabilities of interest that match their research questions.
From Comrades to Subversives: Mexican Secret Police and ‘Undesirable’ Spanish Exiles, 1939–60
Authors: Aguilar Kevan Antonio
Published: November 2020

This article examines the Mexican state's surveillance of Spanish political exiles. As the Mexican government publicly welcomed over 20,000 political refugees fleeing the Spanish Civil War (1936–9), its intelligence apparatus characterised anarchist and communist refugees as subversive threats to the Mexican nation. Despite these efforts, the Mexican secret police failed to prevent the emergence of new political bonds between the two countries’ popular classes. This article shows the consequences of the Mexican secret police's campaign against radical exiles while also highlighting instances in which Spaniards evaded the state's purview and contributed to revolutionary projects in Mexico, Latin America and Spain.