bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Double Legacy of Bernalism in Science Diplomacy
Authors: Ienna Gerardo 
Published: November 2022

AbstractRecent debates in the history of science aimed at reconstructing the history of scientific diplomacy have privileged the analysis of forms of diplomacy coming from above. Instead, the objective of this paper is to raise awareness of these debates by looking at attempts at scientific diplomacy from below. Such a shift in perspective might allow us to observe the impact of marginalized social agents on the construction of international diplomatic choices. This article particularly focuses attention on how the legacy of Bernalism has fostered the emergence of two different types of science diplomacy. On the one hand, Bernalism has influenced the goals of organizations such as UNESCO and the World Peace Council, which are forms of science diplomacy I would term from above. On the other hand, Bernalism has also been at the origin of radical scientific movements that I propose to interpret as forms of scientific diplomacy from below. These have, in fact, played a cardinal role not only in raising public awareness of the social and political roles of science, but also in the more direct participation of scientists in defining the political objectives of their research activity. From this point of view, I analyze how an association like the World Federation of Scientific Workers proposed (at least in the beginning) greater democratic participation than the top‐down structures of other forms of scientific internationalism.
Evaluating the behavior and principle of deep eutectic solvent on ephedrine‐type alkaloid extraction from Ephedrae Herba
Authors: Liu Yongjing , Zhang Suxia , Lou Li , Yan Tang , Xu Wei 
Published: November 2022

AbstractIn this study, deep eutectic solvent (DES), as a new green solvent, was used to extract bioactive alkaloids from Ephedrae Herba using supersonic extraction. In a variety of tested hydrophilic and hydrophobic DESs, DES composed of choline chloride and xylitol was proved to be the most efficient solvent. Factors affecting extraction efficiency, including the mole ratio of hydrogen bond acceptor/hydrogen bond donor, water contention, and solid/liquid ratio, were optimized individually. Under optimal conditions, the yield of ephedrine (EP) and pseudoephedrine obtained using this new method was 14.24 and 4.32 mg/g, respectively, which was higher than that using the traditional solvent (acidified water and methanol). Furthermore, the extraction mechanism of DES and EP was investigated using molecular dynamics simulation study. Structural properties such as radial distribution functions and average number of hydrogen bonds were then computed. The results showed that hydrogen bonds and van der Waals forces are important driving forces of extraction; in addition, the hydrogen bonds between the Cl atom of choline chloride and N atom of EP played a dominant part in the extraction process. Based on the extraction principle, the extraction method using choline chloride as extraction solvent was also discussed.
How Bases Catalyze Diels‐Alder Reactions
Authors: Yu Song , Tiekink Eveline H. , Vermeeren Pascal , Bickelhaupt F. Matthias , Hamlin Trevor A. 
Published: November 2022

AbstractWe have quantum chemically studied the base‐catalyzed Diels‐Alder (DA) reaction between 3‐hydroxy‐2‐pyrone and N‐methylmaleimide using dispersion‐corrected density functional theory. The uncatalyzed reaction is slow and is preceded by the extrusion of CO2 via a retro‐DA reaction. Base catalysis, for example, by triethylamine, lowers the reaction barrier up to 10 kcal mol−1, causing the reaction to proceed smoothly at low temperature, which quenches the expulsion of CO2, yielding efficient access to polyoxygenated natural compounds. Our activation strain analyses reveal that the base accelerates the DA reaction via two distinct electronic mechanisms: i) by the HOMO‐raising effect, which enhances the normal electron demand orbital interaction; and ii) by donating charge into 3‐hydroxy‐2‐pyrone which accumulates in its reactive region and promotes strongly stabilizing secondary electrostatic interactions with N‐methylmaleimide.
Comparative Screening of DalPhos/Ni Catalysts in C‐N Cross‐couplings of (Hetero)aryl Chlorides Enables Development of Aminopyrazole Cross‐couplings with Amine Base
Authors: Martinek Nicole , Morrison Kathleen M. , Field Justin M. , Fisher Samuel A. , Stradiotto Mark 
Published: November 2022

AbstractA systematic competitive evaluation of the DalPhos ligand family in nickel‐catalyzed N‐arylation chemistry is reported, involving primary (linear and branched) and secondary alkylamines, as well as a primary five‐membered heteroarylamine (aminopyrazole), in combination with a diverse set of test electrophiles and bases (NaOtBu, K2CO3, DBU/NaTFA). In addition to providing optimal ligand/catalyst identification, and bringing to light methodology limitations (e. g., unwanted C−O cross‐coupling with NaOtBu), our survey enabled the development of the first efficient catalyst system for heteroatom‐dense C−N cross‐coupling of aminopyrazoles and related nucleophiles with (hetero)aryl chlorides by use of an amine ‘dual‐base’ system.
Edge‐Decorated Polycyclic Aromatic Hydrocarbons by an Oxidative Coupling Approach
Authors: Gilmartin Philip , Vu Cassandra , Rotella Madeline , Kaur Jasjit , Kozlowski Marisa 
Published: November 2022

AbstractOxidative phenol coupling reduces reliance on halo/metalated substrates used in conventional redox neutral couplings. A new strategy for constructing polycyclic aromatic hydrocarbons (PAHs) that incorporates oxidative phenol coupling is outlined in a three‐stage approach: oxidative fragment coupling, linking of the two resultant units, and oxidative cyclization. The protocol allows rapid assembly of both planar and helical systems with a high degree of edge functionalization. The incorporation of 12 alkoxy groups on systems with 12 rings gave rise to lower optical gaps compared to systems with a lesser degree of edge functionalization.
Numerical Investigation of the Heating Process of the Walls in Steam Sterilizers
Authors: Pletzer Simon , Miranda Marco , Lucchesi Marzia , Magno Marino , Hochenauer Christoph 
Published: November 2022

AbstractThe basic principle of steam sterilization is based on high heat transfer rates from the steam to the medical device. In order to carry out this process as well as possible, the walls of the pressure chamber must be preheated. One way is to heat it with steam from the inside. To investigate this process, a three‐phase CFD model was developed, which can be used to determine the saturation temperature as a function of the partial pressure using a user‐defined function. For validation, the pressure, temperature (fluid and solid) and condensate content were measured. Results show that the model is excellently suited for predicting all relevant variables.
Electrometallurgical recovery of nickel and vanadium from spent desulphurization catalysts using an acidic leaching–electrolysis technique
Authors: Ghalehkhondabi Vahab , Fazlali Alireza , Ghasemi Fatemeh 
Published: November 2022

AbstractSpent desulphurization catalysts are considered a major secondary source of valuable metals. The contents of nickel and vanadium present in these catalysts, accompanied by environmental rules, have attracted scientists to explore diverse options for their effective processing. The electrometallurgy recovery of Ni and V from the spent desulphurization Ni‐Mo‐V/Al2O3 catalyst is described in this study. Using flat plate graphite electrodes, the electrochemical deposition of Ni and V from spent catalyst in an acid solution (HNO3/H2SO4) was investigated. By the central composite design of the response surface methodology, the effect of the operating factors was examined and optimized. At the ideal conditions of reaction temperatures of 84.0 and 42.0°C, electrolysis times of 5.6 and 4.4 h, liquid/solid ratios of 22.7 and 15.4 ml/g, and current densities of 229.0 and 255.6 A/m2, respectively, the recovery efficiencies of Ni and V were 81.96% and 93.07%. The statistical analysis revealed that the expected data (R2 = 0.9984 and R2 = 0.9883) were in good agreement with the observed data (R2 = 0.9984), with an average variation from experimental data of 0.78% and 0.65% for the optimum conditions of Ni and V recovery, respectively. It shows that the Ni and V nanoparticles deposited have a spherical form with purities of 84.39% and 90.76%, respectively. Because of its great efficiency and purity, the current study can provide a dependable procedure for extracting Ni and V from solid waste.
Microporous Nitrogen‐Rich Polymers via Ullmann Coupling Reaction for Selective Adsorption of C2H2 over CH4†
Authors: Huang Jitao , Peng Qinfang , Liu Chulong , Ye Yingxiang , Chen Liangji , Lv Yuanchao , Yang Yisi , Chen Shimin , Xiang Fahui , Zhang Hao , Zhang Zhangjing , Xiang Shengchang 
Published: November 2022

Comprehensive SummaryAcetylene purification from methane is challenging in the field of porous organic polymers (POPs). Herein, we have provided one‐pot Ullmann coupling reaction to synthesize a series of POPs with rich N‐sites, named FJU‐POP‐n, wherein the low‐cost and non‐toxic Cu(acac)2 and environmental‐friendly glycerol are employed as catalyst and solvent, respectively. These POPs constructed by aromatic amine and haloarene monomers exhibit different steric configurations and pore sizes. Among these, FJU‐POP‐4 with abundant N‐functional sites and suitable pore size exhibits ultra‐high selective separation for C2H2/CH4 (307.1, 50 : 50) at ambient conditions, the highest among the reported MOFs and POPs with nitrogen‐sites as only functional species. Dynamic fixed bed breakthrough and regeneration experiments confirm structural stability and reproducibility, indicating their promising application in selective separation.
Tuning the Electromagnetic Shielding Mechanism with Nitrogen‐doped Graphene Aerogels
Authors: Álvarez Marcos , Baselga Juan , Pozuelo Javier 
Published: November 2022

AbstractThe electromagnetic shielding efficiency of a given material can be quantified as the sum of three contributions: reflection, absorption, and multiple reflections, which under certain conditions can be reduced to the first two, which are the main shielding processes decisive for its further application. A simple process to prepare nitrogen‐doped graphene aerogels followed by subsequent thermal treatments is proposed to adapt and control the shielding mechanisms that take place to the possible requirements of the system. Nitrogen‐doped aerogels are prepared by the addition of urea in the hydrothermal synthesis and subsequent heat treatments at 500 and 1000 °C. Reflection/absorption power ratio values of unity down to values as low as 0.2 are obtained. This study represents an advance in electromagnetic shielding materials and the adaptation of these to the needs of different applications, reducing the traditional negative environmental impact of these devices.
Performance evaluation of nonlinear energy scavenging overlay networks
Authors: Le‐Thanh Toi , Ho‐Van Khuong 
Published: November 2022

SummaryThis paper investigates a nonlinear energy scavenging overlay network (NLESON) wherein a primary source (PS) communicates with a primary destination (PD) probably under aid of a secondary source (SS) who communicates with a secondary destination (SD). SS is a power‐constrained device, and thence, its operation relies on energy harvested by a practical nonlinear energy scavenger. To support PS and exploit the harvested energy at most, SS adaptively switches between single and superposition modes where the single mode allows SS to transmit solely its signal with the entire harvested energy and the superposition mode asks SS to transmit both—its signal and amplified primary signal—with different power fractions. Moreover, for increasing the probability of successfully decoding primary signal at PD and SD, which then reduces considerably primary interference on secondary signal in the superposition mode, we leverage both direct channels (PS‐PD and PS‐SD) and apply both signal combining paradigms (maximum ratio combining and selection combining). The outage/throughput performance of the NLESON is assessed quickly through the proposed closed‐form expressions over
shadowed fading channels. Various results exposed the effectiveness of the aforementioned solutions for the NLESON and their flexibility in controlling system performance.
“Can you see me?” Videoconferencing and eating disorder risk during COVID‐19: Anxiety, impairment, and mediators
Authors: Hart Laura M. , Mitchison Deborah , Fuller‐Tyszkiewicz Matthew , Giles Sarah , Fardouly Jasmine , Jarman Hannah K. , Damiano Stephanie R. , McLean Siân A. , Prichard Ivanka , Yager Zali , Krug Isabel 
Published: November 2022

AbstractObjectiveThe use of videoconferencing has increased during the pandemic, creating prolonged exposure to self‐image. This research aimed to investigate whether eating disorder (ED) risk was associated with videoconferencing performance for work or study and to explore whether the use of safety behaviors and self‐focused attention mediated the relationship between ED risk and perceived control over performance anxiety, impaired engagement, or avoidance of videoconferencing for work or study.MethodIn 2020, an online survey was distributed within Australia to those aged over 18 years via academic and social networks, measuring: use of videoconferencing for work/study, demographics, ED risk, safety behaviors for appearance concerns, self‐focused attention, perceived control over performance anxiety, perceived engagement impairment, and avoidance of videoconferencing. A total of 640 participants (77.3% female, Mage = 26.2 years) returned complete data and were included in analyses.Results245 participants (38.7%) were considered at‐risk for EDs (SCOFF > 2). Those at‐risk reported significantly more safety behaviors, self‐focused attention, impaired engagement, and avoidance, plus lower perceived control over performance anxiety than those not at‐risk. Multiple mediation models found the effects of ED risk on control over performance anxiety, impaired engagement, and avoidance were partially mediated by safety behaviors and self‐focused attention.DiscussionOur cross‐sectional findings suggest videoconferencing for work/study‐related purposes is associated with performance anxiety, impaired engagement, and avoidance among individuals at‐risk for EDs. Poorer videoconferencing outcomes appear more strongly related to social anxiety variables than ED status. Clinicians and educators may need to provide extra support for those using videoconferencing.Public SignificanceBecause videoconferencing often involves seeing your own image (via self‐view) we wondered whether the appearance concerns experienced by those with eating disorders (EDs) might interfere with the ability to focus on or to contribute to work/study videoconferencing meetings. We found that although those with EDs experience more impairments in their videoconferencing engagement/contribution, these were linked just as strongly to social anxiety as they were to appearance concerns.
Infiltration and soil water repellency in Theobroma cacao plantations: Stand and seasonal effects
Authors: Farrick Kegan K. , Gittens Darnell 
Published: November 2022

AbstractOur understanding of the hydrological processes in cocoa agroforests is extremely limited. Most work has focused on characterising throughfall and transpiration processes under various management approaches and climate change scenarios. However, little is currently understood about how soil water movement is driven by infiltration and hydraulic conductivity. We monitored the soil properties, soil water repellency and hydraulic conductivity in a 5‐, 12‐ and >30‐year‐old cocoa plantation in the wet and dry seasons. During the wet season, repellent conditions were absent in all stands, while the hydraulic conductivity showed no significant differences among them. This suggests that stand age has little effect on water movement during the wet period. During the dry season, the soil at the 5‐ and 12‐year‐old stands became extremely repellent and was twice as severe as that of the >30‐year‐old plantation. It was expected that the extreme repellency in the younger stands would reduce infiltration rates; however, higher rates were recorded in the 5‐ and 12‐year‐old stands. This was likely due to the presence of large, deep soil cracks, which enhanced preferential flow. As the repellency was not significantly correlated with soil properties, we hypothesised that the high grass/sedge cover and temperatures in the 5‐ and 12‐year‐old stands enhanced it. While further research is needed to investigate the role that grass and sedges play in developing repellent conditions, managing their cover may prove beneficial for the growth and survival of young cocoa trees.
High‐frequency decay of Fourier spectra of strong motion acceleration and nonlinear site response
Authors: Gičev Vlado , Trifunac Mihailo D. 
Published: November 2022

AbstractWe examine how the decay of high‐frequency amplitudes of Fourier spectra of strong earthquake ground acceleration (described in seismological literature by the slope parameter ) depends on the soil and geological site conditions at the recording stations in the Los Angeles metropolitan area. Then, we introduce a Gedanken numerical experiment, in which we analyze nonlinear wave motion in shallow soil and show that it also leads to similar decay of the high‐frequency spectral amplitudes. The results of both of our studies are consistent with the interpretation that the decay of high‐frequency Fourier spectra of strong motion acceleration, described by , occurs at the recording site near the ground surface.
Adenovirus vector and mRNA vaccines: Mechanisms regulating their immunogenicity
Authors: Provine Nicholas M. , Klenerman Paul 
Published: November 2022

AbstractReplication‐incompetent adenovirus (Ad) vector and mRNA‐lipid nanoparticle (LNP) constructs represent two modular vaccine platforms that have attracted substantial interest over the past two decades. Due to the COVID‐19 pandemic and the rapid development of multiple successful vaccines based on these technologies, there is now clear real‐world evidence of the utility and efficacy of these platforms. Considerable optimization and refinement efforts underpin the successful application of these technologies. Despite this, our understanding of the specific pathways and processes engaged by these vaccines to stimulate the immune response remains incomplete. This review will synthesize our current knowledge of the specific mechanisms by which CD8+ T cell and antibody responses are induced by each of these vaccine platforms, and how this can be impacted by specific vaccine construction techniques. Key gaps in our knowledge are also highlighted, which can hopefully focus future studies.
Effects of altered salt intake and diet on cytokines in humans: A 20‐week randomized cross‐over intervention study
Authors: Niiranen Teemu , Erlund Iris , Jalkanen Sirpa , Jula Antti , Salmi Marko 
Published: November 2022

AbstractHigh sodium concentration alters leukocyte activation, and in particular T‐helper (Th) lymphocyte polarization, and drives the development of autoimmune diseases in mouse studies. Similar results have been obtained with human leukocytes under in vitro settings and in few observational studies. Therefore, salt has been implicated as a risk factor for autoimmune diseases. Here, we examined whether physiologically relevant changes in salt intake or diet alter cytokine concentrations. In a 20‐wk double‐blinded, placebo‐controlled study 106 participants were randomized to Habitual and Healthy Nordic diets, and further to Usual Sodium and Reduced Sodium intake groups using a cross‐over setup. Plasma concentrations of 45 cytokines were measured at three different time‐points using a multiplex assay. Repeated analyses of covariance revealed that high salt ingestion (or changes in the diet) did not induce significant changes in any of the signature cytokines controlling Th1, Th2 or Th17 polarization. Several other pro‐inflammatory interleukins, chemokines and growth factors were also unaffected by the level of salt intake or changes in the diet. We conclude that in humans clinically relevant changes in salt intake or diet do not have reflections on the systemic concentrations of pro‐inflammatory cytokines in vivo.
Surface sampling capillary electrophoresis–mass spectrometry for a direct chemical characterization of tissue and blood samples
Authors: Golubova Anastasia , Lanekoff Ingela 
Published: November 2022

AbstractCapillary electrophoresis (CE) is a powerful separation tool for non‐targeted analysis of chemically complex samples, such as blood, urine, and tissue. However, traditionally CE requires samples in solution for analysis, which limits information on analyte distribution and heterogeneity in tissue. The recent development of surface sampling CE–mass spectrometry (SS‐CE–MS) brings these advantages of CE to solid samples and enables chemical mapping directly from the tissue surface without laborious sample preparation. Here, we describe developments of SS‐CE–MS to increase reproducibility and stability for metabolite, lipid, and protein extraction from tissue sections and dried blood spots. Additionally, we report the first electrokinetic sequential sample injection for high throughput analysis. We foresee that the wide molecular coverage from a distinct tissue region in combination with higher throughput will provide novel information on biological function and dysfunction.
Mixed transitional metal oxide of MnFe2O4 synthesized by solution combustion method and their electrochemical applications
Authors: Kommu Parameshwar , Dash Ritambhara , Singh Gajendra Prasad , Bhattacharyya Arnab S. 
Published: November 2022

AbstractMixed transition metal oxide (MTMO) MnFe2O4 was synthesized by the solution combustion method. The X‐ray diffraction (XRD) analysis confirmed the cubic spinel structure with space group Fd3m. A specific capacity of 136 mAh g−1 in 1 M KOH and 193 mAh g−1 in 1 M LiOH was obtained through cyclic voltammetry. The formation of nanoparticles of size around 40 nm and porous nature of the surface was observed under field emission scanning electron microscopy (FESEM) which reveals its use as electrode material in Li‐ion batteries. An absorption edge around 500 nm and a band gap of 1.56 eV were obtained from UV spectra. This lower band gap will cause easier excitation of the electrons useful for energy storage devices.