bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nonenzymatic glycosylation of isolated human immunoglobulin‐G by D‐ribose
Authors: Ahmad Saheem , Al‐Shaghdali Khalid , Rehman Shahnawaz , Khan Mohd. Yasir , Rafi Zeeshan , Faisal Mohammad , Alatar Abdulrahman A. , Tahir Iram Khan , Khan Saif , Ahmad Shafeeque , Shahab Uzma 
Published: June 2022

AbstractGlycation is vital in terms of its damaging effect on macromolecules resulting in the formation of end products, which are highly reactive and cross‐linked irreversible structures, known as advanced glycation end products (AGEs). The continuous accumulation of AGEs is associated with severe diabetes and its associated ailments. Saccharides with their reducing ends can glycate amino acid side chains of proteins, among them glucose is well‐known for its potent glycating capability. However, other reducing sugars can be more reactive glycating agents than glucose. The D‐ribose is a pentose sugar‐containing an active aldehyde group in its open form and is responsible for affecting the biological processes of the cellular system. D‐ribose, a key component of many biological molecules, is more reactive than most reducing sugars. Protein glycation by reducing monosaccharides such as D‐ribose promotes the accelerated formation of AGEs that could lead to cellular impairments and dysfunctions. Also, under a physiological cellular state, the bioavailability rate of D‐ribose is much higher than that of glucose in diabetes, which makes this species much more active in protein glycation as compared with D‐glucose. Due to the abnormal level of D‐ribose in the biological system, the glycation of proteins with D‐ribose needs to be analyzed and addressed carefully. In the present study, human immunoglobulin G (IgG) was isolated and purified via affinity column chromatography. D‐ribose at 10 and 100 mM concentrations was used as glycating agent, for 1–12 days of incubation at 37°C. The postglycation changes in IgG molecule were characterized by UV‐visible and fluorescence spectroscopy, nitroblue tetrazolium assay, and various other physicochemical analyses for the confirmation of D‐ribose mediated IgG glycation.
Influence of Reaction Conditions on Enzymatic Enantiopreference: the Curious Case of HEwT in the Synthesis of THF‐Amine
Authors: Heckmann Christian M. , Robustini Lucia , Paradisi Francesca 
Published: June 2022

AbstractEnzymatic enantiopreference is one of the key advantages of biocatalysis. While exploring the synthesis of small cyclic (chiral amines) such as 3‐aminotetrahydrofuran (THF‐amine), using the (S)‐selective transaminase from Halomonas elongata (HEwT), inversion of the enantiopreference was observed at increasing substrate loadings. In addition, the enantiopreference could be altered by variation of the ionic strength, or of the co‐solvent content in the reaction mixture. For example, using otherwise identical reaction conditions, the presence of 2 M sodium chloride gave (R)‐THF‐amine (14 % ee), while the addition of 2.2 M isopropyl alcohol gave the (S)‐enantiomer in 30 % ee. While the underlying cause is not currently understood, it appears likely that subtle changes in the structure of the enzyme cause the shift in enantiopreference and are worth exploring further.
The Effect of Temperature on the Cation‐Promoted Electrochemical CO2 Reduction on Gold
Authors: Vos Rafaël E. , Koper Marc T. M. 
Published: June 2022

AbstractElectrochemical reactions in general, and the CO2 reduction reaction (CO2RR) in particular, are commonly studied at room temperature. However, practical electrolysers may use elevated temperatures. There is currently a lack of fundamental understanding of the effect of temperature on the CO2RR. Here, we performed temperature‐dependent studies on the CO2RR on a relatively simple electrode material, namely gold, to obtain insights into how temperature influences this reaction and the competing hydrogen evolution reaction. A rotating ring disk electrode setup was used to show that the CO2RR activity and selectivity increased with temperature, and to obtain kinetic parameters such as the apparent activation energy and transfer coefficient. The magnitude of the temperature effect and the activation energy was affected by both the cation identity and concentration in the electrolyte. Moreover, the positive effect of temperature on the kinetics of the CO2RR was counteracted by the lower CO2 solubility, making efficient mass transport even more important at higher temperatures.
Online Reaction Monitoring with Fast and Flow‐Compatible Diffusion NMR Spectroscopy
Authors: Marchand Achille , Mishra Rituraj , Bernard Aurélie , Dumez Jean‐Nicolas 
Published: June 2022

AbstractOnline monitoring by flow NMR spectroscopy is a powerful approach to study chemical reactions and processes, which can provide mechanistic understanding, and drive optimisations. However, some of the most useful methods for mixture analysis and reaction monitoring are not directly applicable in flow conditions. This is the case of classic diffusion‐ordered NMR spectroscopy (DOSY) methods, which can be used to separate the spectral information for mixture's components. We describe a fast and flow‐compatible diffusion NMR experiment that makes it possible to collect accurate diffusion data for samples flowing at up to 3 mL/min. We use it to monitor the synthesis of a Schiff base with a flow‐tube with a time resolution of approximately 2 minutes. The one‐shot flow‐compatible diffusion NMR described here open many avenues for reaction monitoring applications.
Geometrically Mismatched Hydrogen‐bonded Framework Composed of Tetratopic Carboxylic Acid
Authors: Yang Zhuxi , Hashimoto Taito , Oketani Ryusei , Nakamura Takayoshi , Hisaki Ichiro 
Published: June 2022

AbstractPorous organic frameworks possessing interactive free sites in the pore have attracted much attention due to their potential to show the site‐originated specific functionalities. Herein, we demonstrate that such a framework could be constructed using a concept of geometrically mismatched frameworks composed of phenanthroline‐based tetratopic carboxylic acid CP‐Phen. Simple recrystallization of CP‐Phen yielded a solvent included porous framework CP‐Phen‐1, in which three of four carboxy groups form hydrogen‐bonded dimer to form a ladder‐shaped framework, while the remained one does not participate in framework formation due to geometrical mismatch and interacts with solvent molecules through weak hydrogen‐bonding. This result implies that our proposed strategy is effective to provide free interactive sites in porous frameworks. Although CP‐Phen‐1 undergoes two‐step structural transformation presumably accompanied by hydrogen‐bond rearrangements upon loss of solvent molecules, the activate framework shows good thermal stability up to 360 °C and selective CO2 adsorption.
“smart for science”: comparing the usage of students’ own and of provided smartphones
Authors: Kremer Fabienne E. , Marohn Annette 
Published: June 2022

AbstractDer Einsatz digitaler Lernmedien bildet einen zentralen Bestandteil des zeitgemäßen Chemieunterrichts. Der Zugriff auf diese Medien kann beispielsweise über Smartphones erfolgen. Fraglich ist jedoch, ob Lernende dabei ihr eigenes Gerät oder eines der Schule nutzen sollten. Das Forschungsprojekt „smart for science“ untersucht beide Besitzbedingungen mit Hinblick auf ihre Lernwirksamkeit. Zu diesem Zweck wird unter anderem das Distraktionsverhalten analysiert. Der Hintergrund und das Design des Projekts werden in diesem Beitrag beschrieben.
Medialab – A three‐stage module for the development of digital competence in chemistry or science teacher education
Authors: Zeller Diana 
Published: June 2022

AbstractMit Blick auf den digitalen Wandel in der Gesellschaft und die bildungspolitischen Vorgaben ist die Neukonzeption von Lehrformaten in der Lehrkräftebildung zur Stärkung digitalisierungsbezogener Kompetenzen von größter Wichtigkeit. In diesem Artikel wird das dreistufige Modul Medialab für das Lehramtsstudium Chemie oder Sachunterricht vorgestellt. Neben dem Ziel der Entwicklung von Medienkompetenzen der Studierenden liegt der Schwerpunkt des Moduls auf dem Aufbau der Fähigkeit zur Kompetenzvermittlung anhand fachlicher und fachdidaktischer Kriterien. Deshalb wird von den Studierenden nach einem Grundlagenseminar ein digitales Medium für den Fachunterricht – ein „Werkstück“ – entwickelt, das in der dritten Modulkomponente die Grundlage für die Gestaltung einer Lehrkräftefortbildung darstellt. Diese Verzahnung zwischen Theorie und Praxis soll ermöglichen, dass die Studierenden Rückmeldungen von Praktiker:innen erhalten und die Fortbildungsinhalte in die Schule transferiert werden.
“After all, the burnt wood no longer performs photosynthesis” – analyzing (students’) difficulties in drawing up carbon cycles with the help of videos cases
Authors: Krabbe Christina , Thelen Frederic , Simonds Kathryn , Melle Insa 
Published: June 2022

AbstractDie Nutzung von fossilen und regenerativen Rohstoffen zur Energiegewinnung und deren Beitrag zum Kohlenstoffkreislauf ist ein komplexes Thema, welches unterschiedliche (Schüler:innen‐)Schwierigkeiten mit sich bringt. Darum ist es umso wichtiger, bei der Planung eines solchen Unterrichts diese Lernhürden zu berücksichtigen. Um Studierende dafür zu professionalisieren, bietet sich die Arbeit mit Videos von realem Unterricht an. Daher wurden Unterrichtsvideos erstellt und deren Einsatz in einer Lehrveranstaltung beforscht. Die Videos zeigen Schüler:innen bei der Erstellung von Kohlenstoffkreisläufen und offenbaren (Schüler:innen‐)Schwierigkeiten im Prozess der Aufgabenbearbeitung. Der Beitrag führt literaturbekannte Lernhürden zum Thema auf und zeigt anhand der ausgewerteten Ergebnisse der Videoanalysen, welche (Schüler:innen‐)Schwierigkeiten Studierende anhand der entwickelten Unterrichtsvideos identifizieren können.
Do models depict particles? Analyzing Austrian chemistry school textbooks via natural language processing
Authors: Rost Marvin 
Published: June 2022

AbstractSchulbücher sind wichtige Medien im Unterrichtsalltag und beeinflussen sowohl die Planung von Unterricht als auch den Umgang mit Fachwissen durch Lehrkräfte. Der Modellbegriff ist in diesen Medien allgegenwärtig und die Art seiner Verwendung in österreichischen Chemieschulbüchern wurde in der vorliegenden Untersuchung mit Methoden des Natural Language Processing erfasst. Es konnten Textähnlichkeiten und ‐unterschiede quantifiziert und anschließend qualitativ gedeutet werden. Als Fazit wird die Modellnutzung in den untersuchten Büchern als eindimensional bewertet, da kaum ein expliziter Bezug zu systematischem, naturwissenschaftlichem Arbeiten erkennbar ist, sondern vor allem der Abbildungscharakter von Modellen im Vordergrund steht.
Biomass‐based Self‐single‐oxygen Heteroatom‐doped Hierarchical Porous Carbon Nanosheets for High‐performance Symmetrical Supercapacitors
Authors: Taer Erman , Taslim Rika , Apriwandi Apriwandi 
Published: June 2022

AbstractBiomass‐based porous carbon holds potential for improving the electrochemical performance of supercapacitors due to its high surface area, 2D nanostructure, 3D hierarchical pores, and self‐multi‐doped‐heteroatoms. Here, 2D and 3D porous carbon nanostructures, as well as self‐single‐doped oxygen were successfully obtained from Moringa oleifera leaves waste by a facile, time‐saving, and cost‐effective strategy. The dried powder precursor was chemically provided with 0.5 m/L H3PO4 and ZnCl2 solutions at high‐temperature pyrolysis. Furthermore, electrode material was designed with sleekly slim binder‐free solid coins. The obtained porous carbon has a 2D nanosheet‐nanofiber and rich‐3D hierarchical porous structure with significantly high sub‐ultra micropores. Meanwhile, 17.62 % self‐doped oxygen was found to provide an extra pseudocapacitance effect. The optimum carbon possessed high electrochemical properties at a specific capacitance of 201 F g−1 in 1 M H2SO4 electrolyte. Furthermore, the maximum energy density was obtained at 25 Wh kg−1, at optimum power of 122 W kg−1 in current density of 1.0 A g−1. The electrochemical behavior of these samples was also reviewed through a 1 M Na2SO4 neutral aqueous electrolyte. Therefore, the great potential of Moringa oleifera leaves was observed as a porous carbon source with good material properties for enhancing the performance of electrochemical energy storage devices.
Daily life human activities recognition using a novel AR‐DenseNet
Authors: Ghalan Mamta , Aggarwal Rajesh Kumar 
Published: June 2022

SUMMARYWith the introduction of mobile‐wearable gadgets, the embedding of health‐tracking capabilities has advanced dramatically. The Covid‐19 years have accelerated research toward wearable sensor‐based health monitoring. One of the most important applications in health monitoring is human activity identification. Daily behaviors like walking, sitting and jogging, as well as crucial activities such as falling forward and backward, provide a barrier in HAR (human action recognition) since they are semantically comparable. Previously developed deep learning algorithms have addressed some of these issues. However, these algorithms are hindered by a lack of training data. To cope with nonuniform samples in the human activities data, which can lead to overfitting results, this work introduces the synthetic minority oversampling approach. This article proposes a unique configuration of stacked convolutional neural network (CNN)‐AR‐DenseNet. With Bayesian optimization, the parameters of AR‐DenseNet are optimally optimized. When compared to state‐of‐the‐art stacked CNN network methods, the classification accuracy improved by up to 3.22%, with a substantial improvement of 5.8% over the standard CNN algorithm.
Oxygen‐Induced Dissociation of a Single Water Molecule in Confined 2‐D Layers: A Semiempirical Study
Authors: Majumder Moumita , Tiwari Ashwani K. 
Published: June 2022

AbstractSemiempirical quantum mechanical methods provide a middle ground to molecule‐surface interactions between computationally demanding full ab initio quantum chemistry calculations and force‐field calculations. In the present study, the PM7 semiempirical method is used to evaluate the adsorption energy values of X@h‐BN monolayer [X=O, OH, and H2O], followed by a mechanistic study of oxygen‐induced water dissociation on a free‐standing h‐BN monolayer. Based on oxygen adsorption configurations, two reaction pathways for water dissociation are studied that yield two distinct configurations of double OH‐functionalized h‐BN monolayer. The effect of a graphene cover layer on these proposed mechanistic pathways is then investigated by placing the graphene cover layer on the top of the h‐BN monolayer and continuously tuning the separation (dGr/h‐BN) between these two layers.
Spectroscopic Study of the Br−+CH3I→I−+CH3Br SN2 Reaction
Authors: Robinson Hayden T. , Corkish Timothy R. , Haakansson Christian T. , Watson Peter D. , McKinley Allan J. , Wild Duncan A. 
Published: June 2022

AbstractMass spectrometry and anion photoelectron spectroscopy have been used to study the gas‐phase
reaction involving
and
. The anion photoelectron spectra associated with the reaction intermediates of this
reaction are presented. High‐level CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the
reaction along various different reaction pathways, including back‐side attack and front‐side attack. In addition, simulated vertical detachment energies of each reaction intermediate have been calculated to rationalise the photoelectron spectra.
Lx‐β‐NiMoO4 (L = None, Al, V, Fe, Co) Nanocomposites: Facile Solid‐State Synthesis, Magnetic, Optical, and Electrochemical Properties
Authors: Hakimyfard Alireza , Samimifar Mohammad , Ostadjoola Soroor , Khademinia Shahin , Kafi‐Ahmadi Leila 
Published: June 2022

AbstractSynthesis of a class of Lx‐β‐NiMoO4 (L = None, Al, V, Fe, Co) nanocomposites by a facile one‐step solid‐state route at 700, 800, and 900 °C for 8 h is introduced in the present study. The physical and electrochemical properties of the fabricated compounds are studied by X‐ray powder diffraction (XRPD), field‐emission scanning electron microscope, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, UV‐vis, vibrating sampling magnetometer (VSM), and cyclic voltammetry (CV) analyses. XRPD patterns associated with Rietveld analysis data performed by the FullProf program confirm that the as‐prepared samples are crystallized in the β polymorph monoclinic NiMoO4 crystal system. The magnetic property investigated by VSM analysis data shows that the fabricated samples have ferromagnetic behavior. It is found that the highest Ms value is obtained when Fe3+ is doped into the NiMoO4 crystal system. The smallest direct band gap energy (Eg) is obtained for V‐doped NiMoO4 nanocomposite. The electrochemical property of the prepared NiMoO4 nanocomposites is studied by CV analysis. The data confirm that NiMoO4 can be used in energy storage applications. An impedance spectroscopy plot of NiMoO4 reveals that the Z value is about 30 Ω cm−2. The slope of the curve is near to 90° representing a good capacitance behavior of NiMoO4.
Zebrafish Erc1b mediates motor innervation and organization of craniofacial muscles in control of jaw movement
Authors: Luderman Lauryn N. , Michaels Mackenzie T. , Levic Daniel S. , Knapik Ela W. 
Published: June 2022

AbstractBackground: Movement of the lower jaw, a common behavior observed among vertebrates, is required for eating and processing food. This movement is controlled by signals sent from the trigeminal motor nerve through neuromuscular junctions (NMJs) to the masticatory muscles. Dysfunctional jaw movements contribute to craniomandibular disorders, yet the pathophysiology of these disorders is not well understood, as limited studies have been conducted on the molecular mechanisms of jaw movement.Results: Using erc1b/kimm533 genetic loss of function mutant, we evaluated lower jaw muscle organization and innervation by the cranial motor nerves in developing zebrafish. Using time‐lapse confocal imaging of the erc1b mutant in a transgenic fluorescent reporter line, we found delayed trigeminal nerve growth and disrupted nerve branching architecture during muscle innervation. By automated 3D image analysis of NMJ distribution, we identified an increased number of small, disorganized NMJ clusters in erc1b mutant larvae compared to WT siblings. Using genetic replacement experiments, we determined the Rab GTPase binding domain of Erc1b is required for cranial motor nerve branching, but not NMJ organization or muscle attachment.Conclusions: We identified Erc1b/ERC1 as a novel component of a genetic pathway contributing to muscle organization, trigeminal nerve outgrowth, and NMJ spatial distribution during development that is required for jaw movement.
Strengthening the evaluation of sustainable development interventions: Inputs from a social interfaces analysis and livelihood research
Authors: Rodriguez‐Bilella Pablo 
Published: June 2022

AbstractSince the Brundtland Commission voiced its call for sustainable development, multiple actors at different levels have been increasingly interested in establishing a means to monitor performance and to assess progress towards sustainable development. Different approaches have been developed and tested, and the key role of a clear conceptual framework for guiding the assessment process has been recognized. An alternative perspective can be offered by the incorporation of a social interface analysis and a livelihoods approach in order to strengthen the evaluation of sustainable development interventions both at the project and strategic level. This paper firstly shows the link between a non‐normative approach of governance and the social interface analysis, which is explicitly introduced. Secondly, the notion of sustainable livelihoods is presented as the basis for an approach more interested in the agency of households and communities and their potential, competence, capacities, and strengths, rather than their weaknesses and needs. Thirdly, as the social interface analysis implies that theory is grounded on empirical investigation, the paper introduces a case study in four Andean communities in Central West Argentina, where inputs from the social interface analysis and livelihood research were used in order to assess the impact of an external “community‐based” development intervention. Finally, the relevance of the two approaches to foster a more nuanced evaluation of sustainable development interventions is discussed.
Regional variation in prescription drug spending: Evidence from regional migrants in Sweden
Authors: Johansson Naimi , Svensson Mikael 
Published: June 2022

AbstractThere is substantial variation in drug spending across regions in Sweden, which can be justified if caused by differences in health need, but an indication of inefficiencies if primarily caused by differences in place‐specific supply‐side factors. This paper aims to estimate the relative effect of individual demand‐side factors and place‐specific supply‐side factors as drivers of geographical variation in drug spending in Sweden. We use individual‐level register data on purchases of prescription drugs matched with demographic and socioeconomic data of a random sample of about 900,000 individuals over 2007–2016. The primary empirical approach is a two‐way fixed effect model and an event study where we identify demand‐ and supply‐side effects based on how regional and local migrants change drug spending when moving across regional and municipal borders. As an alternative approach in robustness checks, we also use a decomposition analysis. The results show that the place‐specific supply‐side effect accounts for only about 5%–10% of variation in drug spending and remaining variation is due to individual demand‐side effects. These results imply that health policies to reduce regional variation in drug spending would have limited impact if targeted at place‐specific characteristics.
Characteristics and outcomes of young patients with laryngeal cancer: National hospital‐based retrospective cohort analysis
Authors: Yang Alex , Tanamal Priscilla , Tibbetts Kathleen , Sumer Baran , Blackwell James‐Michael , Schostag Kelly , Sher David , Day Andrew 
Published: June 2022

AbstractBackgroundThe relative incidence of laryngeal cancer is rising in young patients, yet their characteristics, risk factors, and outcomes relative to older patients are poorly understood.MethodsRetrospective cohort analysis of the National Cancer Database from 2006 to 2015.ResultsAmong 25 029 total patients, 923 (3.7%) were young (<45 years old) and 3266 underwent tumor HPV testing. Compared to older patients, a greater proportion of young patients were female (30.3%, 23.3%; p < 0.001) and seen with high‐risk HPV‐positive tumors (29.9%, 12.4%; p < 0.001). In subset analyses of young patients, females with higher income (≥$38 000) exhibited a decreased risk of overall mortality compared to all other sex‐income subcategories (adjusted hazard ratio [aHR]: 0.43, 95% confidence interval [CI]: 0.25–0.72). In subset analyses of patients of all ages with known tumor HPV status, patients with high‐risk HPV‐positive tumors exhibited a reduced risk of all‐cause mortality (aHR: 0.74, 95%CI: 0.60–0.92, p = 0.007).ConclusionThe interdependent associations between age, sex, tumor HPV status, and income on laryngeal cancer outcomes warrant further investigation.