bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Facile Strategy to Obtain Low‐Cost and High‐Performance Gold‐Based Catalysts from Artificial Electronic Waste by [Zr48Ni6] Nano‐Cages in MOFs for CO2 Electroreduction to CO
Authors: Zhu Zi‐Hao , Liang Ze‐Long , Jiao Zhuo‐Hao , Jiang Xiao‐Lei , Xie Yao , Xu Hang , Zhao Bin 
Published: October 2022

AbstractExpensive gold‐based catalysts are frequently used for electrochemical CO2 reduction into CO. A feasible approach to obtain low‐cost Au‐based catalysts is needed. Herein, a novel framework 1 assembled from [Zr48Ni6] nano‐cages is prepared. It exhibits a high BET surface area of 1569 m2 g−1 and high solvents/pH stability. 1 can not only selectively extract AuCl4− from artificial electronic waste, but can then be transformed into low‐cost catalyst Au nanoparticle@1‐x (Au NPs@1‐x, x=1, 2, 3, 4) with tuneable Au NPs sizes. The CO2RR investigations revealed that the Au NPs@1‐3 displayed an excellent FECO of 95.2 % with a current density of 102.9 mA cm−2 at −1.1 V, and such high catalytic activity can be maintained for at least 15 h without obvious decrease because the confinement effect of [Zr48Ni6] nano‐cages prevents Au NPs agglomeration. This work offers a facile strategy to obtain low‐cost and high‐performance Au‐based catalysts for various reactions activated by Au.
Electrochemical Palladium‐Catalyzed Oxidative Carbonylation‐Cyclization of Enallenols
Authors: Zhang Jianwei , Das Biswanath , Verho Oscar , Bäckvall Jan‐E. 
Published: October 2022

AbstractHerein, we report an electrochemical oxidative palladium‐catalyzed carbonylation‐carbocyclization of enallenols to afford γ‐lactones and spirolactones, which proceeds with excellent chemoselectivity. Interestingly, electrocatalysis was found to have an accelerating effect on the rate of the tandem process, leading to a more efficient reaction than that under chemical redox conditions.
The Dynamic Formation from Metal‐Organic Frameworks of High‐Density Platinum Single‐Atom Catalysts with Metal‐Metal Interactions
Authors: Shan Jieqiong , Liao Jiangwen , Ye Chao , Dong Juncai , Zheng Yao , Qiao Shi‐Zhang 
Published: October 2022

AbstractSingle‐atom catalysts (SACs) hold great promise for highly efficient heterogeneous catalysis, yet the practical applications require the development of high‐density active sites with flexible geometric structures. The lack of understanding in the dynamic formation process of single atoms in the host framework has been plaguing the controllable synthesis of next generation SACs. Here using Co‐based metal‐organic frameworks (MOFs) as a starting substrate, we fully elucidated the formation of high‐density Pt single atoms with inter‐site interactions in derived Co3O4host. The cation exchange process and dynamic evolution of Pt−Pt interactions, organic ligand cleavage and Pt‐oxygen coordination formation during the pyrolysis process have been unambiguously interpreted by a series of in situ/ex situ spectroscopic measurements and theoretical computation. These findings would direct the synthesis of high‐density SACs with metal‐metal interactions, which demonstrate significantly enhanced structural flexibility and catalytic properties.
Electrochemical CO2 Reduction in the Presence of Impurities: Influences and Mitigation Strategies
Authors: Harmon Nia J. , Wang Hailiang 
Published: October 2022

AbstractThe electrochemical conversion of waste CO2 into useful fuels and chemical products is a promising approach to reduce CO2 emissions; however, several challenges still remain to be addressed. Thus far, most CO2 reduction studies use pure CO2 as the gas reactant, but CO2 emissions typically contain a number of gas impurities, such as nitrogen oxides, oxygen gas, and sulfur oxides. Gas impurities in CO2 can pose a significant obstacle for efficient CO2 electrolysis because they can influence the reaction and catalyst. This Minireview highlights early examples of CO2 reduction studies using mixed‐gas feeds, explores strategies to sustain CO2 reduction in the presence of gas impurities, and discusses their implications for future progress in this emerging field.
Effect graphene oxide nanostructure/tannic acid on mixed polymeric substrate‐surface modified RO membranes
Authors: Shalaby Marwa S. , Abdallah Heba , Wilken Ralph , Christoph Schmüser , Shaban Ahmed M. , Gaber Marwa H. , Sołowski Gaweł 
Published: October 2022

AbstractIn this work, polyamide (PA) layer of (TFC) thin‐film composite in reverse osmosis (RO) membranes are compared to facile cost‐effective lower rejection RO‐ blend membranes using graphene oxide. Polyvinyl alcohol (PVA) is cross‐linked with glutaraldehyde hydrogel and thereby showing the effect of a fixed concentration of graphene oxide (GO) at different surface modification stages. Surface grafting using methacrylic acid is performed to govern the role of the protective layer on the efficiency of the covered TFC layer as membranes performance regarding salt rejection and permeability. GO concentration of 0.25 wt% in PVA solution shows a maximum % rejection reaching 70 for 3PG and the highest permeate flux for 1PG is 45.52 LMH. While the TFC membranes T and TG have shown higher rejection percentages to reach 88.31% for 3TG of and the highest permeate flux is 30.7 LMH for 1TG and decreases to reach 24.56 LMH for 3TG. Different membrane characterizations are fulfilled through surface morphology, wettability, BET area, and adsorptive fouling. Optimized ratios for tannic acid, ZnO‐nanostructure, and graphene oxide with the mixed polymeric substrate are reached. The effect of graphene oxide in the surface grafting layer over blend and TFC membranes are presented.
Hybrid based on graphene nanoplatelets and carbon nanotubes obtained in a single‐step approach and its reinforcement effect in an epoxy matrix
Authors: Ramos‐Galicia Lourdes , Pérez‐Ramírez Eduardo E. , Velasco‐Santos Carlos , Licea‐Jiménez Liliana , Martínez‐Hernández Ana L. , Pérez‐García Sergio A. , López‐Ortiz Alejandro 
Published: October 2022

AbstractA hybrid based on graphene nanoplatelets and carbon nanotubes (G‐CNT) is obtained through direct exfoliation of graphite in a liquid medium, and tested as reinforcement material in epoxy resin. CNT act as exfoliation material in contact with graphite under ultrasound irradiation, and the thickness of graphite decreases to produce graphene nanoplatelets in an easy one‐step method. The morphology of the hybrid, is observed through transmission electron microscopy micrographs exhibiting delamination of graphite. XRD, UV–vis, and atomic force microscopy (AFM) results provide evidence of the exfoliation of graphite by interaction with CNT. Ultrasonic process does not generate additional oxygenated groups on carbon structures, as it is supported by XPS spectra; and the disorder in the carbon structures detected in Raman spectra is attributed to defects originated by some fragmentations. Epoxy nanocomposites incorporating 0.3 wt% of G‐CNT display the highest enhancement in storage modulus (~2706 MPa), glass transition region increases meaning higher thermal stability, and glass transition temperature increases until 119°C. Impact resistance also enhances with 0.3 wt% of G‐CNT, obtaining ~95% of increment. The hybrid obtained by exfoliating graphite with CNT in one‐step improves the performance of nanocomposites, and it offer an easy and viable alternative to obtain hybrid systems.
The path to kina convertibility: An analysis of Papua New Guineaʼs foreign exchange market
Authors: Davies Martin , Schröder Marcel 
Published: October 2022

AbstractPapua New Guinea (PNG) has faced a foreign exchange (forex) shortage since 2015. The Bank of PNG has resorted to forex rationing to protect reserves, leading to a large backlog of orders and import compression. This paper surveys the structure of PNGʼs forex market and analyses recent market conditions. We argue that a real exchange rate depreciation is required to restore currency convertibility. We develop a forex market model that features a backlog of unmet orders which suggests that a frontloaded depreciation is preferred to an often‐favored gradual adjustment. Empirical results indicate that the governmentʼs large budget deficits have contributed to the forex shortage, highlighting the need for greater fiscal restraint. In the longer term, we argue for more exchange rate flexibility and forex allocation through competitive auction.
Synthesis and evaluation of novel xanthene‐based thiazoles as potential antidiabetic agents
Authors: Naseem Saira , Shafiq Zahid , Taslimi Parham , Hussain Saghir , Taskin‐Tok Tugba , Kisa Dursun , Saeed Aamer , Temirak Ahmed , Tahir Muhammad N. , Rauf Khawar , El‐Gokha Ahmed 
Published: October 2022

AbstractA series of xanthene‐based thiazoles was synthesized and characterized by different scpectroscopic methods, i.e. Proton nuclear magnetic resonance (1H NMR), carbon nuclear magnetic resonance (13C NMR), infrared spectroscopy, carbon hydrogen nitrogen analysis, and X‐ray crystallography. The inhibition potencies of 18 newly synthesized thiazole derivatives were investigated on the activities of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α‐amylase (α‐Amy), and α‐glycosidase (α‐Gly) enzymes in accordance with their antidiabetic and anticholinesterase ability. The synthesized compounds have the highest inhibition potential against the enzymes at low nanomolar concentrations. Among the 18 newly synthesized molecules, 3b and 3p were superior to the known commercial inhibitors of the enzymes and have a much more effective inhibitory potential, with IC50: 2.37 and 1.07 nM for AChE, 0.98 and 0.59 nM for BChE, 56.47 and 61.34 nM for α‐Gly, and 152.48 and 124.84 nM for α‐Amy, respectively. Finally, the optimized 18 compounds were subjected to molecular docking to describe the interaction between thiazole derivatives and AChE, BChE, α‐Amy, and α‐Gly enzymes in which important interactions were monitored with amino acid residues of each target enzyme.
E‐Learning‐Kurs „Building Simulation in Design and Operation“ – Serie: Gebäudesimulation und Berechnungstools in der Lehre
Authors: Hoffmann Sabine 
Published: October 2022

AbstractDiese Artikelserie stellt den Einsatz von Computerprogrammen in der Hochschullehre der Bauphysik und Gebäudetechnik für Architekten und Bauingenieure vor.An der TU Kaiserslautern wird der E‐Learning‐Kurs „Building Simulation in Design and Operation” für die Master‐Studierenden im Studiengang „Immobilien und Facilities – Management und Technik” angeboten und ist dort im Pflicht‐Curriculum verankert. Darüber hinaus können Studierende des Bauingenieurwesens und des Umweltingenieurwesens den Kurs als Wahlpflichtfach belegen. Der Fokus wird auf das Durchführen von Parametervariationen auf Basis von fertigen Modellen gelegt.
Entwicklung eines Modells zur Bewertung der Umwelteigenschaften üblicher Putze und Mörtel
Authors: Vega‐Garcia Pablo , Schwerd Regina , Helmreich Brigitte 
Published: October 2022

AbstractGemäß der Bauproduktenverordnung der Europäischen Union (EU‐BauPVO) müssen Baustoffe und Bauwerke derart gestaltet sein, dass sie während ihres gesamten Lebenszyklus keine übermäßig hohen negativen Auswirkungen auf die Umwelt haben. Ziel der hier vorgestellten Arbeit war es daher, ein Modell zu entwickeln, mit dem eine Bewertung der Umwelteigenschaften von mineralischen Außenputzen und ‐mörteln vorgenommen werden kann. Als Grundlage bzw. zur Validierung wurde eine umfangreiche Datenbasis verwendet, die in 10 Jahren Feld‐ und Laborexperimenten am Fraunhofer‐Institut für Bauphysik IBP aufgebaut wurde. Das Ergebnis ist ein dreistufiges Modell. In „Level 1” werden die Wassermengen berechnet, die von einer Fassade mit einem bestimmten mineralischen Putz oder Mörtel ablaufen. In „Level 2” werden dann ausgelaugte anorganische Stoffe und deren Konzentrationen im Abflusswasser identifiziert. Als letzter Schritt erfolgt in „Level 3” die Bewertung des Umweltrisikos mittels einer Sickerwasserprognose. Es konnte gezeigt werden, dass von den Stoffen, die bei Regenereignissen aus den untersuchten Putzen und Mörteln ausgewaschen werden, v. a. Vanadium, Chrom und Blei in relevanten Konzentrationen im Fassadenablauf auftreten können. Die Auswertung der Sickerwasserprognose ergab jedoch, dass unter üblichen Anwendungsszenarien nicht mit Grenzwertüberschreitungen am Ort der Beurteilung im Grundwasser zu rechnen ist.
Comparison of two video prompting interventions to teach daily living skills to adolescents with autism
Authors: Wertalik Jennifer L. , Kubina Richard M. 
Published: October 2022

AbstractThe present study used an adapted alternating treatment design to evaluate and compare the effects of video prompting (VP) and video prompting plus frequency building (VP + FB) to teach daily living skills to three adolescents with autism spectrum disorder. Results demonstrated all three students made substantial improvements over their baseline performance using VP and VP + FB. Furthermore, a strong intervention effect emerged for VP and VP + FB conditions when compared to the control task. However, in terms of one intervention proving superior to the other (e.g., VP to VP + FB), the data offer a mixed interpretation with VP + FB affecting changes better for two of the three students. The FB component in the VP + FB produced strong, consistent gains for all students in terms of retention.
An automated system with a versatile test oracle for assessing student programs
Authors: Tang Chung M. , Yu Yuen T. , Poon Chung K. 
Published: October 2022

AbstractAutomated program assessment systems have been widely adopted in many universities. Many of these systems judge the correctness of student programs by comparing their actual outputs with predefined expected outputs for selected test inputs. A common weakness of such systems is that student programs would be marked as incorrect as long as their outputs deviate from the predefined ones, even if the deviations are only minor, insignificant, and considered acceptable by a human assessor that the programs have satisfied the specifications. This critical weakness caused undue frustration to students and undesirable pedagogical consequences that undermine these systems’ benefits. To address this issue, we developed an improved mechanism for program output comparison to serve as a versatile test oracle that brings the results of automated assessment much closer to those of human assessors. We evaluated the new mechanism in real programming classes using an existing automated program assessment system. We found that the new mechanism achievedzerofalse‐positive error (did not wrongly accept any incorrect output) and very low (0%–0.02%) false‐negative error (that wrongly rejected correct outputs), with very high accuracy (99.8%–100%) in correctly recognizing outputs deemed acceptable by instructors. This represents a major improvement over an existing assessment mechanism, which had 56.4%–64.1% false‐negative error with an accuracy of 25.4%–40.9%. Moreover, about 67%–96% of students achieved their best results in their first attempt, which could be encouraging to them and reduce their frustration. Furthermore, students generally welcomed the new assessment mechanism and agreed it was beneficial to their learning.
Remote assessment of cognitive dysfunction in hematologic malignancies using web‐based neuropsychological testing
Authors: Franco‐Rocha Oscar Y. , Mahaffey Misty L. , Matsui William , Kesler Shelli R. 
Published: October 2022

AbstractBackgroundCognitive impairment is a frequent adverse effect of cancer and its therapies. As neuropsychological assessment is not often standard of care for patients with non‐CNS disease, efficient, practical assessment tools are required to track cognition across the disease course. We examined cognitive functioning using a web‐based cognitive testing battery to determine if it could detect differences between patients with cancer and controls.MethodsWe enrolled 22 patients with multiple myeloma (MM) or non‐Hodgkin lymphoma (NHL) and 40 healthy controls (mean age = 56 ± 11 years, 52% male). Participants completed the BrainCheck cognitive testing battery and online versions of select measures from the Patient Reported Outcome Measures Information System (PROMIS) during a video conference. MANOVA was used to compare BrainCheck and PROMIS scores between groups controlling for age and sex. An exploratory linear regression analysis was conducted within the cancer group to determine potential contributors to cognitive functioning.ResultsAll participants except for one control completed the online assessment measures without difficulty. Compared to controls, the cancer group demonstrated significantly lower scores in objective and subjective cognitive function, physical functioning, and social role performance and elevated fatigue scores. Corticosteroid treatment, immunotherapy, lower physical functioning, lower income, and older age significantly contributed to lower cognitive function (adjusted R2 = 0.925, F = 19.63, p = 0.002).ConclusionRemote assessment of cognitive and psychosocial functioning is feasible with patients with cancer following treatments. The BrainCheck cognitive testing battery has the potential to detect differences in cognition between patients with cancer and controls.
Motivating consumers for health and fitness: The role of app features
Authors: Stancu Violeta , Frank Darius‐Aurel , Lähteenmäki Liisa , Grunert Klaus G. 
Published: October 2022

AbstractSmartphone apps can create value for consumers by supporting their health goals. The purpose of the study was to reveal people's preferences for Self‐Determination theory derived app features of health‐related apps that can potentially promote motivation and sustained use of such apps. Three discrete choice experiments, followed by a ranking task, were used to assess consumer preferences for specific app features that can support the basic needs for autonomy, competence and relatedness among respondents from Germany and Spain (N = 719). Participants preferred the autonomy supporting app features, namely making changes to the menu recommendations or self‐selecting their rewards. The competence supporting features of levels of progress and feedback that provided encouragement together with facts were preferred across countries; however, presenting the feedback in a dynamic display was disliked in Germany. The relatedness supporting feature, presence of an anthropomorphic cue with the menu recommendations, was preferred in Germany but disliked in Spain. Health and fitness apps can benefit from including features that bring value to consumers by responding to their psychological needs and help them achieve their health goals. Allowing choice flexibility in app recommendations, providing feedback that is encouraging in addition to informative, and including gamification elements in health apps, can respond to consumer preferences and thereby increase engagement with apps. The study contributes to understanding how the theoretically derived features of health apps can be included in the design of apps to match consumer preferences.
Immobilization and Application of Fatty Acid Photodecarboxylase in Deep Eutectic Solvents
Authors: Chanquia Santiago Nahuel , Benfeldt Frederik Vig , Petrovai Noémi , Santner Paul , Hollmann Frank , Eser Bekir Engin , Kara Selin 
Published: October 2022

AbstractSince its discovery in 2017, the fatty acid decarboxylase (FAP) photoenzyme has been the focus of extensive research, given its ability to convert fatty acids into alka(e)nes using merely visible blue light. Unfortunately, there are still some drawbacks that limit the applicability of this biocatalyst, such as poor solubility of the substrates in aqueous media, poor photostability, and the impossibility of reusing the catalyst for several cycles. In this work, we demonstrate the use of FAP in non‐conventional media as a free enzyme and an immobilized preparation. Namely, its applicability in deep eutectic solvents (DESs) and aproof‐of‐conceptimmobilization using a commercial His‐tag selective carrier, a thorough study of reaction and immobilization conditions in each case, as well as reusability studies are shown. We observed an almost complete selectivity of the enzyme towards C18 decarboxylation over C16 when used in a DES, with a product analytical yield up to 81 % when using whole cells. Furthermore, when applying the immobilized enzyme in DES, we obtained yields >10‐fold higher than the ones obtained in aqueous media.
Highly Cytotoxic Molybdenocenes with Strong Metabolic Effects Inhibit Tumour Growth in Mice
Authors: Fuchs Valentin , Cseh Klaudia , Hejl Michaela , Vician Petra , Neuditschko Benjamin , Meier‐Menches Samuel M. , Janker Lukas , Bileck Andrea , Gajic Natalie , Kronberger Julia , Schaier Martin , Neumayer Sophie , Köllensperger Gunda , Gerner Christopher , Berger Walter , Jakupec Michael A. , Malarek Michael S. , Keppler Bernhard K. 
Published: October 2022

AbstractA series of six highly lipophilic Cp‐substituted molybdenocenes bearing different bioactive chelating ligands was synthesized and characterized by NMR spectroscopy, mass spectrometry and X‐ray crystallography. In vitro experiments showed a greatly increased cytotoxic potency when compared to the non‐Cp‐substituted counterparts. In vivo experiments performed with the dichlorido precursor, (Ph2C−Cp)2MoCl2 and the in vitro most active complex, containing the thioflavone ligand, showed an inhibition of tumour growth. Proteomic studies on the same two compounds demonstrated a significant regulation of tubulin‐associated and mitochondrial inner membrane proteins for both compounds and a strong metabolic effect of the thioflavone containing complex.
Geometry‐driven coalescence of water droplets in a highly viscous fluid
Authors: Shayunusov Doston , Eskin Dmitry , Zeng Hongbo , Nikrityuk Petr 
Published: October 2022

AbstractThis work is dedicated to numerical studies of the coalescence of water droplets moving in bitumen. The Navier–Stokes equations coupled with the volume of fluid model (VOF) using adaptive grids techniques, available in the commercial computational fluid dynamics (CFD) software Ansys Fluent 20R2, were solved numerically to investigate the behaviour of water droplets with diameters from 1 to 100 μm moving in rapidly converging and diverging microchannels of different sizes. The model has been validated against 3‐D experimental data published in the literature. A good agreement has been demonstrated. The results of simulations revealed that the main parameter influencing coalescence is the bulk flow velocity in the channel. Analysis of unsteady simulations showed the existence of a critical flow velocity, above which no coalescence occurs, corresponding to capillary number Ca < 0.5 for droplets Reynolds number Re < 0.1. Besides, image processing analysis has been used for a mean droplet size estimation in different geometries. A mean size significantly increased due to the late coalescence occurring in a wider constriction.