bluuebunny/crossref_metadata_2025_split huggingface dataset:
Zur Bestimmung der Dichte von Schmelzen und zur Klassifizierung der Festkörper in raumschwache und raumstarke bei hohen Temperaturen
Authors: Knappwost A. , Restle H. 
Published: October 2023

AbstractEs wird ein neues Verfahren zur Bestimmung der Dichte von metallischen Schmelzen angegeben, mit dem auch die Dichten von solchen Stoffen bestimmt werden können, deren Schmelzpunkt in Temperaturbereichen liegt, die mit den Auftriebsmethoden nicht oder nur sehr schwer zugänglich sind. Bei diesem Einbettverfahren werden Masse und Grundvolumen bei Raumtemperatur bestimmt. Am Beispiel des Siliciums wird gezeigt, daß die neue Methode auch dann noch das Vorzeichen des Volumensprunges beim Schmelzpunkt zu erkennen gestattet, wenn die thermische Stabilität der Einbettmasse zu einer exakten Dichtemessung nicht mehr ausreicht.
Verdünnungswärmen eines Polyelektrolyten in Wasser bei kleinen Konzentrationen
Authors: Schulze Werner 
Published: October 2023

AbstractIm Differentialkalorimeter nach E. Lange wurden intermediäre Verdünnungswärmen in Wasser bei 25° C gemessen 1. an einem Polyvinyl‐N‐butylpyridiniumbromid (Konzentrationsbereich 0,0246 · 10−4 bis 40,75 · 10−4 [Bausteinmole/l]), 2. an N‐Butylpyridiniumbromid [Konzentrationsbereich 1,047] · 10−4 bis 330 · 10−4 [Mol/1]). — Das Monosalz zeigt positive Verdünnungswärmen, die zunächst √c‐proportional ansteigen (Steigung etwa 350) und dann ins Negative biegen. Das Polysalz besitzt stark negative Verdünnungswärmen, die zwischen c = 0 und c = 10−4 steil abfallen und dann etwa waagerecht verlaufen. Abdissoziation von Br'‐Ionen und Kettenstreckung des Polykations werden als Ursache dieses Verhaltens angesehen. — Extrapolation der Verdünnungswärmen auf c = 0 ist beim Polysalz nicht möglich.
Zur Kinetik der Reaktionen von Graphit mit CO2‐CO‐ und H2O‐H2‐Gemischen
Authors: Grabke H.‐J. 
Published: October 2023

AbstractDie Reaktion von Graphit mit CO2‐CO‐Gemischen wurde zwischen 900 und 1100 °C, bei Drucken zwischen 1 und 760 Torr und bei variierten CO2/CO‐Verhältnissen untersucht. Die Ergebnisse lassen sich im Rahmen des folgenden Reaktionsschemas deuten:magnified imageDie Rückreaktion der zweiten Teilreaktion ist im Bereich der Messungen vernachlässigbar, und damit ist die Geschwindigkeit der Hinreaktion von Gleichung (2)\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}gleich der Gesamtgeschwindigkeit der Boudouard‐Reaktion. Die Geschwindigkeit\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}ist der auf der Graphitoberfläche eingestellten Sauerstoffaktivität ao proportional.Die erste Teilreaktion ist mit Hilfe von Radiokohlenstoff gemessen worden, sie verhält sich für weite Bereiche der Variablen, CO2/CO‐Verhältnis, Gesamtdruck und Temperatur, wie ein vorgelagertes Gleichgewicht zu Teilreaktion (2). In diesem Falle ist a0 und damit\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}dem CO2/CO‐Verhältnis proportional und vomGesamtdruck unabhängig. Bei hohen CO2/CO‐Verhältnissen wird\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}mit den Geschwindigkeiten der Hin‐ und Rückreaktion von Teilreaktion (1),\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_1} $\end{document}und\documentclass{article}\pagestyle{empty}\begin{document}$ \overleftarrow {v_1} $\end{document}, vergleichbar; das Gleichgewicht für gleichung (1) bleibt nicht erhalten, undaOwird durch das Zusammenspiel der Teilreaktionen (1) und (2) eingestellt. In diesem Fall läß sichaOund damit auch\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}mit Hilfe der Stationaritätsbedingung für adsorbierten Sauerstoff und der bei Kleinem CO2/CO‐Verhältnis gefunden Werte und Abhängigkeiten berechnen und für jede Reaktionstemperatur durch eine experimentell bestätigte Näherungsformel Darstellen.Die Temperaturbhängigkeit der beiden Teilreaktionen wurde gemessen und im Rahmen der beschriebenen Reaktionskinetik gedeutet.Für die Sauerstoffübertragung aus H2O auf eine Graphitoberflächemagnified imageist wahrscheinlich ebenfalls in weiten bereichen das Gleichgewicht eingestellt. Die Teilreaktion (2) ist den Reaktionen von Graphit mit CO2‐co‐ und H2O‐H2‐Gemischen mit gleichem Sauerstoffpartialdruck der gleiche Wert für\documentclass{article}\pagestyle{empty}\begin{document}$ \overrightarrow {v_2} $\end{document}erwartet und auch gefunden. Ebenfalls konnte die Zwischen den Temperaturabhängigkeiten der beiden Reaktionen erwartete Beziehung bestätigt werden.
Investigation on CT‐DNA and Protein Interaction of New Pd(II) Complexes Involving Ceftazidime and 3‐Amino‐1,2,3‐triazole: Synthesis, Characterization, Biological Impact, Anticancer Evaluation, and Molecular Docking Approaches
Authors: Seddik Ramy G. , Shoukry Azza A. , Rashidi Fatma B. , Salah‐Eldin Doaa S. 
Published: October 2023

AbstractTwo new palladium (II) complexes, [Pd(CAZ)(OH2)2]2+ (1) and [Pd(3‐AT)(OH2)2]2+ (2), (CAZ=ceftazidime, and 3‐AT=amitrole) were synthesized and studied for their potential as anticancer drugs with low toxicity and high potency. To fully characterize these complexes, we conducted elemental analysis and FT‐IR studies. Furthermore, we irradiated the complexes with Indian 60Co gamma rays and thoroughly evaluated their antimicrobial properties. Our results demonstrate that the inhibitory activity of complexes was significantly enhanced against (G+) bacteria and fungi. Additionally, we probed the complexes’ interaction with CT‐DNA and BSA using various techniques, including UV‐vis spectroscopy, thermal denaturation, viscometry, gel electrophoresis, and molecular docking studies. Our findings conclusively demonstrate that these complexes possess a strong binding interaction with CT‐DNA via minor groove binding and/or electrostatic interactions, as well as excellent binding affinity to BSA. Finally, we conducted a cytotoxicity assay that clearly indicates these complexes hold immense promise as cell growth inhibitors against MCF‐7 and HCT‐116.
Catcher/Tag Toolbox: Biomolecular Click‐Reactions For Protein Engineering Beyond Genetics
Authors: Fan Ruxia , Aranko A. Sesilja 
Published: October 2023

AbstractManipulating protein architectures beyond genetic control has attracted widespread attention. Catcher/Tag systems enable highly specific conjugation of proteins in vivo and in vitro via an isopeptide‐bond. They provide efficient, robust, and irreversible strategies for protein conjugation and are simple yet powerful tools for a variety of applications in enzyme industry, vaccines, biomaterials, and cellular applications. Here we summarize recent development of the Catcher/Tag toolbox with a particular emphasis on the design of Catcher/Tag pairs targeted for specific applications. We cover the current limitations of the Catcher/Tag systems and discuss the pH sensitivity of the reactions. Finally, we conclude some of the future directions in the development of this versatile protein conjugation method and envision that improved control over inducing the ligation reaction will further broaden the range of applications.
First reported Rhodotorula mucilaginosa brain abscess: Found as coinfection in woman with common variable immune deficiency
Authors: Bhatt Arjun , Dunlap Melinda S. , Pham Han , Hatanpaa Kimmo J. , Boyer Philip , Gander Rita M. , Symmes Anna G. 
Published: October 2023

Key Clinical MessageRhodotorula is a rare pathogen seen in the immunocompromised host; while cases of Rhodotorula meningitis have been reported, there are no published cases of Rhodotorula brain abscess. We describe the diagnosis and management of a woman with common variable immune deficiency presenting with concomitant Rhodotorula and Nocardia brain abscesses.
Pore Nanoarchitectonics of Carbon Nitrides for the Excited‐State Deactivation of Confined Methylene Blue
Authors: Li Chunyu , Troschke Erik , Müller Carolin , Dasgupta Anindita , Eggeling Christian , Oschatz Martin , Dietzek‐Ivanšić Benjamin 
Published: October 2023

AbstractThe confinement of organic chromophores within mesoporous material architectures can exert a considerable alteration on their physico‐chemical properties. This study presents a detailed spectroscopic investigation of methylene blue (MB) entrapped in mesoporous polymeric carbon nitrides (mPCNs) with different pore architecturesusing transient absorption spectroscopy (TAS). The spatial confinement of MB molecules results in a prominent change in absorption spectra, characterized by both redshifts and the appearance of additional shoulder peaks, arising from the formation of MB dimers (MB2) concomitant with a distortion of the MB structure. Upon photoexcitation, entrapped MB molecules exhibit a notable altered excited‐state absorption feature, along with a drastic excited‐state quenching within 2 ns compared to molecues in bulk solutions. In contrast to the ultrafast quenching of sole MB2 with a lifetime of ~3.6 ps in highly concentrated solutions, the concentration‐dependent quenching behavior of MB aggregates in confined environments suggests the effect is caused by excimers formed in close proximity. The findings of this work highlight the impact of constrained environments and intermolecular interactions on the relaxation pathways of the excited states in photoactive molecules.
Stable Broadband Bright Green Emission of Self‐trapped Excitons Triggered by Sb3+ Doping in Zero‐Dimensional Cs3BiCl6
Authors: Chen Rong , Wang Shanping , Lin Fang , Zheng Yongzhuo , Zhang Wanxv , Wang Juan , Guo Fengwan 
Published: October 2023

AbstractLow‐dimensional lead‐based metal halide perovskites (MHPs) have many exceptional photoelectric capabilities thanks to the 6 s2 electron structure of lead ion (Pb2+). Pb2+′s toxicity, however, has prevented its widespread development and use. Finding ions in the valence layer that have a comparable electrical structure thus makes sense as Pb2+ replacements. In this work, all inorganic zero‐dimensional (0D) Cs3BiCl6 single crystal was synthesized by the anti‐solvent crystallization method. There is no obvious photoluminescence (PL) phenomenon for Cs3BiCl6 at room temperature (RT). It is found that the extremely strong exciton‐phonon interaction leads to seriously non‐radiative recombination. After doping with Sb3+, Cs3BiCl6: Sb achieved broadband emission with a significant Stokes shift, the photoluminescence quantum yield (PLQY) up to 15.85 %, which has a microsecond PL decay lifetime and excellent environmental stability. Systematic spectroscopic characterizations unveil the PL mechanism of Cs3BiCl6: Sb is self‐trapped excitons (STEs) emission, and theoretical calculation revealed the indirect bandgap properties of Cs3BiCl6 and Cs3BiCl6: Sb.
Modulation of electronic structures in N‐doped TiO2(B) for hydrogen evolution: A density functional theory study
Authors: He Yilei , Wei Yanze , Wang Zumin , Zhou Xu , Yu Ranbo 
Published: October 2023

AbstractN‐doping is an effective technique for enhancing the exploitation of TiO2 under visible light, thanks to the level of doping introduced. It is also important to explore N‐doping in the metastable polymorph TiO2(B), which is renowned for its applications in energy materials. In order to investigate the impact of N‐doping on the optical properties of TiO2(B), a systematic comparison of the electronic structural and optical properties of pure and N‐doped TiO2(B) was conducted using density function theory (DFT) calculations. The results indicate that N‐doping is more thermodynamically favorable at the O site with four coordinated atoms. Upon N‐doping, impurity states emerged within the bandgap of TiO2(B), leading to a significant reduction in the energy gap. Consequently, N‐doping primarily enhances the absorbance of visible light, which is crucial for photocatalysis. Furthermore, the adsorption energy of H at the (0 0 1) surface of N‐doped TiO2(B) decreased by 2.75 eV, providing valuable insight for the design of TiO2(B) with exceptional photo‐ and electro‐catalytic performance.
The London, Paris and De Bilt sub‐daily pressure series
Authors: Cornes Richard C. , Jones Phil D. , Brandsma Theo , Cendrier Denis , Jourdain Sylvie 
Published: October 2023

AbstractThe construction of sub‐daily pressure series is described for the cities of London (GB) and Paris (FR). The series extend back 1692 and 1748, respectively, and as such they represent two of the longest sub‐daily series of barometric pressure available. These series are updated from the previously documented London and Paris daily series and offer more homogeneous series, and in the case of the London series a more temporally complete sequence of data. A pairwise homogenization procedure has been applied to the two series alongside the long series of pressure that exists for De Bilt (NL). The De Bilt series has been available for some time in the International Surface Pressure Dataset (ISPD), but further quality control and homogeneity‐checking procedures have been applied to the data in this paper and therefore the three series are released together in this dataset. The series are of immediate interest for understanding changes to storm activity across the English Channel and North Atlantic region over an extended timeframe but may also be assimilated into reanalysis datasets such as the 20th‐century reanalysis.
The relation between social acceptance and school well‐being in early childhood
Authors: van der Wilt Femke 
Published: October 2023

AbstractThe present study investigated the relation between social acceptance and school well‐being in early childhood. Additionally, it was explored whether this relation depended on gender and age. In total, N = 311 children (aged 4–7) participated. Social acceptance was assessed with a peer nomination method and school wellbeing was measured with a parent questionnaire. Outcomes of hierarchical multiple regression analysis demonstrated a positive relation between social acceptance and school wellbeing. Regarding the role of gender and age, outcomes indicated that social acceptance was related to school wellbeing only for girls (not boys) and only for younger children (not older children). Implications and directions for future research are discussed.
Evolution of the characterization of horizontally aligned organic light‐emitting molecules and their recent progress of molecular design
Authors: Lee Jian Haur , Chen Chin‐Ti 
Published: October 2023

AbstractThis review article surveys the organic small molecular materials, light‐emitting for most of them, being studied for the molecular alignment or orientation in thin films. Following a chronicle order, three practical characterization techniques, variable angle spectroscopic ellipsometry (VASE), angle‐dependent photoluminescence (ADPL), and grazing incidence wide‐angle x‐ray scattering (GIWAXS) have been used to probe phosphorescence, thermally activated delayed fluorescence (TADF) materials, as well as those of non‐phosphorescence and non‐TADF materials.
A machine learning approach for the automated classification of bulk sp2 and sp3 carbon materials
Authors: daFonseca Bruno G. , Thind Sapanbir S. , Booth Ian , Brolo Alexandre G. 
Published: October 2023

AbstractPrincipal component analysis (PCA) and linear discriminant analysis (LDA) were used to classify different types of carbon material based on their Raman spectra. The selected reference materials were highly oriented pyrolytic graphite (HOPG), diamond‐like carbon (DLC), glassy carbon (GC), hydrogenated graphite‐like carbon (GLCH), and hydrogenated polymer‐like carbon (PLCH). These materials vary in crystallinity, predominant carbon hybridization, and hydrogen content. The training dataset was Raman spectra collected from commercial samples (HOPG, DLC, GC) and samples synthesized in our laboratory (GLCH, PLCH). The Raman spectra were collected using 532 nm laser excitation. The classification model revealed that the first principal component (PC1) was the determinant source of information to separate the crystalline from the amorphous carbon samples. PC2 allowed the separation of amorphous material with different levels of hybridization (sp2 and sp3). Finally, both PC2 and PC3 contributed to separate materials with different levels of hydrogenation. The classification model was tested using a library of Raman spectra of carbon materials reported in the literature, and the results showed a high accuracy prediction (97%). The model presented here provides an avenue for automated classification of carbon materials using Raman spectroscopy and machine learning.
Design of Plurifunctional Cyclocarbonates and their Use as Precursors of Poly(hydroxyurethane) Thermosets: A Review
Authors: Helbling Péroline , Hermant Fabien , Petit Morgane , Vidil Thomas , Cramail Henri 
Published: October 2023

AbstractPolyhydroxyurethanes (PHUs) are promising polymers to replace polyurethanes (PUs), classically obtained by the isocyanate‐alcohol route. Various application fields of PUs, for example, foams or coatings, require the use of thermosetting polymers. Hence, a great deal of effort is devoted to the development of PHU thermosets in the recent literature. This review highlights the different strategies developed through the years to synthesize plurifunctional cyclic carbonates, also called poly(cyclic carbonate)s, and whose functionality ≥3 is a prerequisite for the synthesis of thermosetting PHUs. A special emphasize is accorded to the safe and eco‐friendly synthetic approaches (e.g., phosgene‐free, use of renewable reactants). In addition, the curing strategies implemented to overcome the low reactivity of the monomers and the limitations related to the transitions of the growing networks (i.e., viscosification, gelation, vitrification) are described. In the end, the curing of PHUs under mild thermal conditions, down to room temperature, is described. Such curing conditions are uncommon for PHU thermosets and are paving the way to much anticipated applications such as coatings, adhesives, or 3D‐printing.
Flexible multi‐purpose integrated RF/shim coil array for MRI and localized B0 shimming
Authors: Overson Devon Karl , Darnell Dean , Robb Fraser , Song Allen W. , Truong Trong‐Kha 
Published: October 2023

AbstractPurposeTo develop a flexible, lightweight, and multi‐purpose integrated parallel reception, excitation, and shimming (iPRES) coil array that can conform to the subject's anatomy and perform MR imaging and localized B0 shimming in different anatomical regions with a high SNR, shimming performance, ease of positioning, and subject comfort.MethodsA four‐channel flexible iPRES coil array was constructed by enabling RF and direct currents to flow on the same flexible coil elements for imaging and shimming, respectively. Shimming experiments were performed with the coil array wrapped around the knee or neck of healthy subjects to demonstrate its high shimming performance and versatility. Additionally, its SNR and shimming performance in the knee were compared to those obtained with the coil array wrapped around a larger rigid tube designed to fit most knee sizes.ResultsShimming with the coil array wrapped around the knee or neck resulted in an average reduction in B0 RMSE of 50.1% and 40.5% relative to first‐order and second‐order spherical harmonic shimming, respectively, and substantially reduced distortions in DWI images. In contrast, shimming the knee with the coil array wrapped around the rigid tube only provided a 29.6% reduction in B0 RMSE, whereas the SNR was reduced by 58.7%.ConclusionThe flexible iPRES coil array can conform to different anatomical regions and perform imaging and localized B0 shimming with a higher SNR, shimming performance, ease of positioning, and comfort compared to a rigid iPRES coil array, which should be valuable for many applications throughout the human body.
Topology optimization of fluid‐structure interaction problems with total stress equilibrium
Authors: Abdelhamid Mohamed , Czekanski Aleksander 
Published: October 2023

AbstractThis work extends force coupling in the topology optimization of fluid‐structure interaction problems from hydrostatic to total stresses through the inclusion of viscous stress components. The superconvergent patch recovery technique is implemented to remove the discontinuities in velocity derivatives over the finite elements boundaries. The sensitivity analysis is derived analytically for the superconvergent patch recovery approach and further verified through the use of the complex‐step derivative approximation method. Numerical examples demonstrate a differentiation in the optimized designs using pressure versus total stress coupling depending on the flow characteristics of the design problem.
Structure and properties of bottlebrush polyelectrolyte complexes
Authors: Stevens Kaden C. , Tirrell Matthew V. 
Published: October 2023

AbstractStructural variation of polyelectrolytes has been shown to play an important role in altering polyelectrolyte complex (PEC) properties in recent years. However, molecular‐level details such as polyelectrolyte architecture remain underdeveloped. Here, we use a combination of ring‐opening metathesis polymerization (ROMP), atom‐transfer radical polymerization (ATRP), and postpolymerization reactions to create densely branched bottlebrushes of poly(dimethylamino ethyl methcacrylate) and poly(tert‐butyl methacrylate) with high molecular weights (MDa), which we then convert into fully charged and densely branched bottlebrushes of poly(trimethylaminoethyl methacrylate) (PTMAEMA) and poly(methacrylic acid) (PAA). We investigate the structure and properties of bottlebrush polyelectrolyte complexes (BPECs) using optical microscopy, rheology, cryogenic transmission electron microscopy (Cryo‐TEM), and small‐angle X‐ray scattering (SAXS). Bottlebrush polyelectrolyte complexes are white solids, which exhibit gel‐like mechanical properties, which we attribute to sidechain interpenetration. Using a combination of Cryo‐TEM and SAXS, we are able to outline the structural development of BPECs, detailing how the network topology, sidechain conformation, and interdigitation spacing changes as a function of salt. Our results provide a foundation for further exploration of branched architectures within polyelectrolyte complexation.
Rapid soil harvesting using a novel soil auger system for farm‐scale soil carbon estimates
Authors: Jensen Kelsey H. , Faehndrich Chloe S. , Colzani Eliana , McClure Morgan L. , Covey Kristofer 
Published: October 2023

AbstractSoil sampling at the landscape scale is increasingly in demand for assessing C sequestration projects in agroecosystems. Efforts to decrease sampling costs across large areas have thus far largely ignored improved soil harvesting tools as a means of decreasing sampling time and effort. Rigorous analysis of trade‐offs in speed and accuracy among soil harvesting methods is needed. Here, we compare two different methods of soil sampling soil, a standard push probe and a novel drill‐auger system, which were used to collect soils for analysis of total C by dry combustion. We designed sampling plots to compare soil C concentrations at increasing spatial scales to understand the difference in soil C concentrations between methods relative to spatial heterogeneity. We sampled two farms in Upstate New York, one conventional and one organically managed, to assess the impact of these methods across relevant farm practices. We found that probe and auger methods provide indistinguishable soil carbon estimates at both farms. The difference between paired probe and auger samples taken less than 0.15 m apart was 0.22%, an amount equivalent to the difference in C concentrations at points 2 m apart and less than the difference at points 10 m apart. Using the soil auger was up to three times faster than using the push probe—a saving of 7 h of sampling time to inventory the two farms studied. Lowering inventory cost is a critical step in demonstrating the feasibility of soil carbon sequestration as a component of climate smart agriculture. The results presented indicate that the drill‐auger system is preferable to the push probe method for farm‐scale soil carbon inventory.