bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Lewis Acids on the Catalyst Activity for Alkene Metathesis, Z-/E- Selectivity and Stability of Tungsten Oxo Alkylidenes
Authors: Merino J. Haydée , Bernad Jesús , Solans-Monfort Xavier 
Published: November 2021

AbstractLewis acids increase the catalytic activity of classical heterogeneous catalysts and molecular d0 tungsten oxo alkylidenes in a variety of olefin metathesis processes. The formation of labile adducts between the metal complex and the Lewis acid has been observed experimentally and suggested to be involved in the catalyst activity increase. In this contribution, DFT (M06) calculations have been performed to determine the role of Lewis acids on catalyst activity, Z-/E- selectivity and stability by comparing three W(E)(CHR)(2,5-dimethylpyrrolide)(O-2,6-dimesithylphenoxide) (E = oxo, imido or oxo-Lewis acid adduct) alkylidenes. Results show that the formation of the alkylidene—Lewis acid adducts influences the reactivity of tungsten oxo alkylidenes due to both steric and electronic effects. The addition of the Lewis acid on the E group increases its bulkiness and this decreases catalyst Z-selectivity. Moreover, the interaction between the oxo ligand and the Lewis acid decreases the donating ability of the former toward the metal. This is important when the oxo group has either a ligand in trans or in the same plane that is competing for the same metal d orbitals. Therefore, the weakening of oxo donating ability facilitates the cycloaddition and cycloreversion steps and it stabilizes the productive trigonal bipyramid metallacyclobutane isomer. The two factors increase the catalytic activity of the complex. The electron donating tuneability by the coordination of the Lewis acid also applies to catalyst deactivation and particularly the key β-hydride elimination step. In this process, the transition states show a ligand in pseudo trans to the oxo. Therefore, the presence of the Lewis acid decreases the Gibbs energy barrier significantly. Overall, the optimization of the E group donating ability in each step of the reaction makes tungsten oxo alkylidenes more reactive and this applies both for the catalytic activity and catalyst deactivation.
Life Satisfaction and Character Strenghs in Ecuatorian Adolescents
Authors: Yépez-Tito Paula , Ferragut Marta , Cóndor-Guerrón Shally , Blanca Maria J. 
Published: November 2021

AbstractThere is empirical evidence that life satisfaction (LS) in adolescence is associated with adequate development and future well-being. Research into the factors underpinning LS can therefore help to promote healthier development of societies. The aim of this study was to extend knowledge about LS among adolescents in Ecuador, a Latin American country for which research on this topic is lacking. Specifically, we analyze the relationship between LS and character strengths, controlling for gender, age, socioeconomic status, and family structure. Participants were 659 adolescents (43.1% female) aged between 12 and 18 years who completed the Students’ Life Satisfaction Scale (SLSS) and the Values in Action Inventory of Strengths for Youth (VIA-Y). Their parents or legal guardians completed the Survey of Socioeconomic Stratification (SSES). Correlation analysis and regression modeling were performed. Results showed that LS was not related to age or socioeconomic status, but there was a significant association with gender and family structure, insofar as boys and adolescents living in intact families reported higher levels of LS. Overall, the majority of character strengths were positively related to LS. After eliminating overlap between strengths and controlling for sociodemographic variables, the strengths of hope, zest, love, and prudence significantly predicted LS. We discuss how these strengths, related to the cognitive component of well-being, may play a protective role against difficulties during adolescence. Character strengths-based interventions are proposed to promote healthy development in Ecuadorian adolescents.
Video-based visual feedback to enhance motor learning in physical education—a systematic review
Authors: Mödinger Moritz , Woll Alexander , Wagner Ingo 
Published: December 2021

AbstractWhile studies have indicated that visual feedback promotes skill acquisition and motor learning in controlled settings and for various sports, less is known about its feasibility in physical education, which has specific needs and conditions. For this reason, a systematic literature review was conducted regarding video-based visual feedback in physical education. Out of 2030 initially examined studies, 11 matched the selection and quality criteria. The goal was to determine whether visual feedback can be effective regarding motor learning in physical education in primary and secondary schools, and to investigate whether different visual feedback variants (expert modeling and self-modeling), supported by verbal feedback, are more effective than verbal feedback alone. Subsequently, the different conditions (e.g., age, group size, duration) of the included studies were evaluated for their suitability for everyday applications. Video-based visual feedback seems to be effective to enhance motor learning in physical education and seems to be more effective than solely verbal feedback. However, the results show that the specific conditions (class size, scheduled lessons, available time, technical equipment, the digital literacy of teachers, and data protection) of a school environment must be considered before implementing visual video feedback in daily practice.
Parameters Development for Optimum Deposition Rate in Laser DMD of Stainless Steel EN X3CrNiMo13-4
Authors: Dalaee Mohammad , Cerrutti Eduardo , Dey Indira , Leinenbach Christian , Wegener Konrad 
Published: December 2021

AbstractLaser Direct Metal Deposition (DMD) has been developed as a manufacturing process to deposit coatings on existing materials and proves advantageous in Additive Manufacturing (AM) of complex and precise components. However, it is necessary to carefully determine the proper process parameter combinations to make this method economically viable for industries. The intent of this study is to address enhancement in productivity of laser DMD of stainless steel EN X3CrNiMo13-4. Accordingly, the effects of the main laser process parameters of laser power P, scan speed v, powder flow rate $$\dot{\mathrm{m}}$$

m
˙

, and spot diameter s on track geometries and build-up rate are discussed. The regression analysis is conducted to derive correlations between the combined set of main parameters and deposition rate. The results show a good linear regression correlation of R2 >0.9 for the geometrical characteristic of aspect ratio, dilution, and deposition rate. The constructed processing map, using linear regression equations, presents proper process parameters selection in connection with deposition rate, aspect ratio, and dilution rate.
Die Anwendung naturwissenschaftlicher Untersuchungsmethoden inklusiv gestalten – Naturwissenschaftsdidaktische Theorie und Empirie erweitern mit dem Kategoriensystem inklusiver naturwissenschaftlicher Unterricht (KinU)
Authors: Brauns Sarah , Abels Simone 
Published: December 2021

ZusammenfassungZur Verknüpfung von etablierten und typischen Themenfeldern des naturwissenschaftlichen Unterrichts mit inklusiver Pädagogik wurde ein systematisches Literaturreview zur Ableitung des umfassenden Kategoriensystems inklusiver naturwissenschaftlicher Unterricht (KinU) durchgeführt. In einer vorherigen Publikation sind das detaillierte methodische Vorgehen sowie die methodische Diskussion zur besseren intersubjektiven Nachvollziehbarkeit veröffentlicht (www.leuphana.de/inclusive-science-education). In diesem Artikel wird das Kategoriensystem inhaltlich diskutiert, inwieweit sich die Ergebnisse und Implikationen aus der Literatur zur Umsetzung inklusiven naturwissenschaftlichen Unterrichts mit den Erkenntnissen aus der naturwissenschaftsdidaktischen Theorie und Empirie ohne expliziten Inklusionsbezug überschneiden oder diese ergänzen. Der Vergleich wird exemplarisch zu „naturwissenschaftliche Untersuchungsmethoden inklusiv gestalten“ durchgeführt, was mitn = 126 Kategorien die größte der 16 Hauptkategorien des KinU (N = 935) darstellt. Dieser Vergleich wird entlang von Aktionen, Ausführungsformen, Funktionen, experimenteller Kompetenz und Offenheit naturwissenschaftlicher Untersuchungsmethoden strukturiert. Die Ergebnisse zeigen, dass in der naturwissenschaftsdidaktischen Theorie und Empirie ohne expliziten Inklusionsbezug der naturwissenschaftsbezogene Gegenstandsbereich detailliert beschrieben wird und die Anforderungen an die Schüler*innen bzgl. dieses Gegenstands herausgestellt werden. Um inklusiven naturwissenschaftlichen Unterricht zu bestimmen, ist es notwendig, konkrete Zugänge speziell für etablierte und typische Themenfelder des naturwissenschaftlichen Unterrichts zu schaffen. Ein wesentlicher Mehrwert zu der allgemein naturwissenschaftsdidaktischen Literatur liegt darin, dass in den Publikationen mit Inklusionsbezug beschrieben wird, wie der naturwissenschaftliche Gegenstand modifiziert werden kann und welche zusätzlichen Angebote gemacht werden können, damit alle Schüler*innen an diesem Gegenstand mit dem Ziel der naturwissenschaftlichen Grundbildung partizipieren können. Die konkreten Erweiterungen diesbezüglich werden entlang des KinU zusammengefasst dargestellt.
Potential of Mechanochemically Activated Sulfidic Mining Waste Rock for Alkali Activation
Authors: Niu He , Adrianto Lugas Raka , Escobar Alexandra Gomez , Zhukov Vladimir , Perumal Priyadharshini , Kauppi Janne , Kinnunen Paivo , Illikainen Mirja 
Published: December 2021

Abstract
Sulfidic mining waste rock is a side stream from the mining industry with a potential environmental burden. Alkali activation is a promising method for transforming mining waste into construction materials. However, the low reactivity of minerals can be a sizeable challenge in alkali activation. In the present study, the reactivity of waste rock was enhanced by mechanochemical treatment with a LiCl-containing grinding aid. X-ray diffraction (XRD) and diffuse reflectance infrared Fourier transform (DRIFT) analysis were utilized to display the structural alteration of individual minerals. A schematic implication of the grinding mechanism of mica was provided according to the results of transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The alkaline solubility displayed the enhanced chemical reactivity of the waste rock, in which Si and Al solubility increased by roughly 10 times and 40 times, respectively. The amorphization of aluminosilicate is achieved through chemical assisted mechanochemical activation. Sulfidic waste rock, as the sole precursor in alkali activation, achieved a 28-day compressive strength exceeding 10 MPa under ambient curing conditions. The simulation of the upscaled grinding process was conducted via the HSC Chemistry® software with a life-cycle assessment. The results showed that mining waste rock can be a promising candidate for geopolymer production with a lower carbon footprint, compared to traditional Portland cement.

Graphical Abstract
Effects of an individualised nutritional intervention to tackle malnutrition in nursing homes: a pre-post study
Authors: Seemer J. , Kiesswetter E. , Fleckenstein-Sußmann D. , Gloning M. , Bader-Mittermaier S. , Sieber C. C. , Sixt B. , Wurm S. , Volkert D. 
Published: December 2021

Abstract
Purpose
Individualised interventions are recommended to tackle malnutrition in older adults, but approaches for nursing home (NH) residents are scarce. This study investigated the effects of an individualised nutritional intervention in NH residents with (risk of) malnutrition.

Methods
In a pre-post study, 6 weeks (w) of usual care were followed by 6w of intervention. The intervention consisted of up to three supplement modules (sweet and savoury protein creams and protein-energy drink, single or combined) and, if required, reshaped texture-modified meals (RTMM).

Results
Fifty residents completed the study (84 ± 8 years, 74% female). One-third (32%) received RTMM. Additional 258 ± 167 kcal/day and 23 ± 15 g protein/day were offered. Mean daily energy intake increased by 207 (95%CI 47–368, p = 0.005) kcal and protein intake by 14 (7–21, p < 0.001) g (w12 vs w1). Quality of life (QoL) increased in the subscale “care relationship” (+ 9 (3–15) points, p = 0.002, w12 vs w6). Body weight, handgrip strength, and other QoL subscales did not change.

Conclusion
Our intervention improved dietary intake and one QoL subscale in NH residents with (risk of) malnutrition. As a next step, randomized controlled trials are needed to investigate the impact of individualised interventions more comprehensively.
Curl Constraint-Preserving Reconstruction and the Guidance it Gives for Mimetic Scheme Design
Authors: Balsara Dinshaw S. , Käppeli Roger , Boscheri Walter , Dumbser Michael 
Published: December 2021

AbstractSeveral important PDE systems, like magnetohydrodynamics and computational electrodynamics, are known to support involutions where the divergence of a vector field evolves in divergence-free or divergence constraint-preserving fashion. Recently, new classes of PDE systems have emerged for hyperelasticity, compressible multiphase flows, so-called first-order reductions of the Einstein field equations, or a novel first-order hyperbolic reformulation of Schrödinger’s equation, to name a few, where the involution in the PDE supports curl-free or curl constraint-preserving evolution of a vector field. We study the problem of curl constraint-preserving reconstruction as it pertains to the design of mimetic finite volume (FV) WENO-like schemes for PDEs that support a curl-preserving involution. (Some insights into discontinuous Galerkin (DG) schemes are also drawn, though that is not the prime focus of this paper.) This is done for two- and three-dimensional structured mesh problems where we deliver closed form expressions for the reconstruction. The importance of multidimensional Riemann solvers in facilitating the design of such schemes is also documented. In two dimensions, a von Neumann analysis of structure-preserving WENO-like schemes that mimetically satisfy the curl constraints, is also presented. It shows the tremendous value of higher order WENO-like schemes in minimizing dissipation and dispersion for this class of problems. Numerical results are also presented to show that the edge-centered curl-preserving (ECCP) schemes meet their design accuracy. This paper is the first paper that invents non-linearly hybridized curl-preserving reconstruction and integrates it with higher order Godunov philosophy. By its very design, this paper is, therefore, intended to be forward-looking and to set the stage for future work on curl involution-constrained PDEs.
New Kids on the Recycling Block: the Role of Supermarkets and Bodegas for Sustainable Consumer Behaviour in Lima
Authors: Borasino Elena , Fuhrmann-Riebel Hanna 
Published: December 2021

AbstractOnly 4% of total municipal solid waste in Lima is recycled. Supermarkets and bodegas are in a unique, highly relevant position for the transition towards a circular economy due to their direct influence on customers’ consumption patterns. This paper explores the role of supermarkets and bodegas for consumer recycling behaviour, looking both at already implemented practices and possibilities for the future. Based on semi-structured interviews conducted with key actors in the recycling sector in 2019 and 2020, we analyse the sector regarding its main actors and their different interests, the interactions between them and the regulatory framework, as well as specific initiatives undertaken to increase recycling. We then compare the main mechanisms through which consumer recycling behaviour can be influenced between supermarkets and bodegas based on the three categories convenience, knowledge and socio-psychological factors. Our in-depth analysis outlines the different pros and cons for each of the three categories in detail.
The interaction effect between advanced paternal age and paternal obesity is associated with the low implantation rate in couples with unexplained recurrent pregnancy loss
Authors: Li Shuo , Shen Yaqian , Zhu Yueting , Li Hongchang , Jiang Wenjie , Yan Junhao , Chen Zi-Jiang 
Published: November 2021

AbstractObjectiveTo explore the roles of advanced paternal age (APA) and abnormal paternal weight on embryo quality and pregnancy outcomes for unexplained recurrent pregnancy loss (uRPL) couples who underwent preimplantation genetic testing for aneuploidies (PGT-A).MethodsThis study included 779 uRPL couples who underwent their first PGT-A cycles between 2014 and 2018. Male patients’ aging and nutritional status were quantified by paternal age and body mass index (BMI). Routine semen parameters and sperm DNA fragmentation index (DFI) were used to reflect the seminal quality. Blastocyst formation rate and aneuploidy rate were used to reflect the embryo quality. Cycle cancellation rate, implantation rate, pregnancy loss rate, and live birth rate were measured to evaluate the treatment efficiency from IVF. To remove the interference of maternal age, only the women younger than 38 years old were included. After univariate screening, interaction tests were performed in a generalized linear model (GLM) to further examine the effects of paternal age and BMI on each outcome indicator.ResultsIn the total population (779 cycles), there were no statistical differences in aneuploidy rate, cycle cancellation rate, implantation rate, pregnancy loss rate, and live birth rate, whether stratified by paternal age or paternal BMI. Similar results occurred in the younger men (<40 y.o., 633 cycles). Conversely, among the men with advanced age (≥40 y.o., 146 cycles), there were statistical differences between the three BMI groups in four semen parameters (total sperm number, total motility, progressive motility, and total motile sperm count), implantation rate, and live birth rate. After interaction testing, the results of GLM suggested that the interaction effect between APA and paternal obesity was associated with the low implantation rate of uRPL couples.ConclusionsFor the uRPL couples seeking for PGT-A treatment, if the male patients have both advanced age and obesity, their spouses are at higher risks for embryo implantation failure.
Radiotherapy and Immunotherapy in Melanoma Brain Metastases
Authors: Anvari Amir , Sasanpour Pegah , Kheradmardi Mania Rajabzadeh 
Published: December 2021

Background and objective:
Melanoma brain metastasis (MBM) generally portends a dismal prognosis. Simultaneous use of radiotherapy (RT) and immune checkpoint inhibitor (ICI) therapy demonstrated tremendous promise and emerged as the new standard. This meta-analysis was conducted to evaluate survival outcomes and toxicities of this combination in patients with MBM. Data analyses were performed using Comprehensive Meta-Analysis software (version 2) and IBM SPSS software (version 27).

Methods:
A systematic literature search of PubMed, EMBASE, and the Cochrane Library (via Wiley) was conducted using PICOS/PRISMA selection protocol and included studies to evaluate survival and safety-associated outcomes of ICI + RT for the treatment of MBM.

Results:
A total 44 studies involving 2498 patients were reviewed. The pooled effect size (ES) for overall survival (OS) to compare the ICI + RT arm and ICI alone arm (HR: 0.693 [0.526–0.913, p = .001]), and compare the ICI + RT arm and brain RT alone (HR: 0.595 [0.489–0.723, p < .001)] indicated better survival outcomes in ICI + RT versus RT alone and ICI alone arms. Comparing central nervous system toxicity in the ICI + RT arm and RT alone arm, the pooled ES Grade ≥ 3 neurologic adverse events (NAEs) risk ratio ([RR] = 1.425; 95% confidence interval [CI]: 0.485–4.183; p = .519) indicated that ICI + RT nonsignificantly increased Grade 3–4 NAEs. Comparing Grade ≥ 3 radiation necrosis in the ICI + RT arm and RT alone arm, the pooled ES RR (RR = 2.73; 95% CI: 0.59–12.59; p = .199) indicated that ICI + RT nonsignificantly increased Grade ≥ 3 radiation necrosis.

Conclusion:
Concurrent administration of RT and ICI evinced favorable OS outcomes and acceptable safety profile in MBM patients. Planned prospective trials are required to demonstrate the issue.
Initiation and feasibility of a multi-specialty minimally invasive surgical programme using a novel robotic system: A case series
Authors: Dixon Frances , Khanna Achal , Vitish-Sharma Parveen , Singh Nidhi Shandil , Nakade Kailash , Singh Anjana , Qureshi Adnan , O’Hara Richard , Keeler Barrie D. 
Published: November 2021

Abstract

Introduction
There are a number of small case series examining new robotic surgical systems, but this is the first large case series assessing the feasibility of the Versius® system from CMR Surgical (1 Evolution Business Park, Cambridge, UK) in a multi-specialty setting.

Materials and methods
All patients undergoing Versius®-assisted surgery in a previously robot-naïve centre were consented for collection of data on demographics, pre-, intra-, and postoperative outcomes. Data collection was performed prospectively from the start of the robotic surgical programme.

Results
160 operations were performed over a 19-month period, including 68 colorectal, 60 gynaecology, and 32 general surgery cases. The conversion rate to open surgery was 4.4% for colorectal, and 0% for gynaecology and general surgery. Median length of stay was 6 days for colorectal, 1 day for gynaecology, and 0 days for general surgery. Other outcomes were comparable to existing literature for robotic assisted surgery.

Conclusion
The Versius® system is safe and feasible for use in a multi-specialty minimally invasive surgery programme, including colorectal, general surgical & gynaecological cases, and operative volume can be safely and easily scaled up in a district general hospital setting without prior robotic surgical experience.

Highlights
Positive Beliefs about Post-Event Processing in Social Anxiety Disorder
Authors: Lenton-Brym Ariella P. , Provost-Walker Olivia , Tsekova Virginia , McCabe Randi E. , Rowa Karen 
Published: December 2021

AbstractBackground: Post-event processing (PEP) is an important maintenance factor of social anxiety disorder (SAD). This study examined psychometric properties of the Positive Beliefs about Post-Event Processing Questionnaire (PB-PEPQ; Fisak & Hammond, 2013), which measures metacognitive beliefs about PEP. Method: Participants receiving treatment for SAD (n = 71) and other anxiety and related disorders (n = 266) completed self-report questionnaires at several timepoints. Results: Confirmatory factor analysis did not support the PB-PEPQ's proposed unidimensional model. Subsequent exploratory factor analysis yielded a three-factor structure consisting of engaging in PEP to (1) review negative events (Negative scale), (2) review positive events (Positive scale), and (3) better understand one's social anxiety (Understand scale). Within the SAD subsample, PB-PEPQ scales demonstrated good internal consistency (α = 0.83–0.85) and test–retest reliability (r = 0.65–0.78). Convergent and criterion validity of the PB-PEPQ Negative scale were supported. PB-PEPQ scale scores were significantly higher within the SAD group, as compared with the other groups (generalised anxiety disorder, panic disorder and agoraphobia, posttraumatic stress disorder, and obsessive-compulsive disorder), supporting the scales’ discriminative validity. Conclusion: Findings support the reliability and validity of the PB-PEPQ in a clinical sample and reveal the measure's multifactorial structure.