bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multidimensional Outcome Parameters in a Cress Seedling—CuCl2 Crystallization Assay to Corroborate Specific Effects of Stannum metallicum 30x Compared to Lactose 30x
Authors: Doesburg Paul , Andersen Jens-Otto , Scherr Claudia , Kokornaczyk Maria Olga , Baumgartner Stephan 
Published: June 2024

Abstract
Background Previously we developed a test system which yielded highly significant evidence for specific effects of a Stannum metallicum 30x preparation in a multi-center replication trial. This test system is based on cress seed germination in homeopathic or control samples, CuCl2 crystallization of the cress extract, and subsequent digital textural image analysis of the resulting crystallization patterns.
Objectives The current study aimed to investigate whether three novel outcome parameters could further corroborate and possibly characterize the specific effects of Stannum metallicum 30x.
Methods To this end, (1) cress seedling length, (2) a second texture analysis parameter, entropy and (3) the local connected fractal dimension (LCFD) of crystallization patterns as a measure of complexity were considered. The stability of the experimental setup was monitored throughout the entire investigation with systematic negative control (SNC) experiments.
Results Cress length and entropy revealed a time-modulated potency treatment effect, in the absence of a significant main treatment effect. This indicated that the effect of the potency treatment varied significantly across the different experimental days. LCFD yielded a highly significant potency treatment effect. In addition, a significant interaction of treatment with experimental day seems to indicate a modulation of this effect. No significant effects were observed in any of the evaluations of the SNC experiments, indicative of a stable experimental setup and a reliable and specific treatment effect. Neither significant nor strong correlations were found between the four parameters, indicating that they reflect different effects of Stannum metallicum 30x on the organism treated.
Conclusion This quadruple characterization of the biological effects of Stannum metallicum 30x provides an unprecedented opportunity for basic homeopathy research into, among others, the presumed specificity of homeopathic preparations.
Complication Rate of Percutaneous Balloon-Retention versus Locking-Loop Gastrostomy and Gastrojejunostomy Tube Insertion: A Comparison from a Canadian Tertiary Care Centre
Authors: Chan Ian Y. M. , Alghamdi Ibrahim Abdulaziz , Schep Daniel , Sabongui Sandra , Krause Sarah , Hocking David , Wiseman Daniele 
Published: June 2024

Abstract
Purpose The aim of this study is to compare 30-day complications, procedure-related mortality, and overall mortality rates for de novo enteral feeding tube insertion with fluoroscopy-guided percutaneous balloon-retention versus traditional locking-loop tubes.
Methods A retrospective analysis was conducted on adult patients who underwent fluoroscopically guided gastrostomy or gastrojejunostomy tube insertions at two tertiary care centers. We categorized complications based on the Society of Interventional Radiology Standards of Practice for Gastrointestinal Access. Factors including the indication for the procedure, the number of gastropexy anchors, and the tube size were analyzed. Statistical analysis was performed using chi-square tests, and the results were compared with patients who underwent locking loop insertions.
Results A total of 118 patients underwent percutaneous balloon-retention gastrostomy (BRG) or gastrojejunostomy (BRGJ) tube insertions in 2018. These were compared with 559 adult patients who had locking loop insertions at the same institutions from 2011 to 2014. Minor and major complications were higher for the balloon-retention tubes for both BRG (minor: 40.8% vs 4.7%, p < 0.001; major: 1.4% vs 1.2%, p = 0.891) and BRGJ tubes (minor: 80.9% vs 11.8%, p < 0.001; major: 12.8% vs 1.7%, p < 0.001). Complications were lowest with two gastropexy anchors and highest with three anchors. The 12-F and 14-F balloon-retention tubes had similar complication rates. Although not statistically significant, the balloon-retention tubes were associated with higher procedure-related deaths (1.7% vs 0.7%, p = 0.300) and all-cause mortality (9.3% vs 5.9%, p = 0.171).
Conclusion Percutaneous BRG or BRGJ tubes had significantly higher 30-day complication rates. There was no significant difference in the 30-day mortality rate.
Introduction
Authors: Kotze Haidee , van Rooy Bertus 
Published: June 2024

Abstract
This introductory chapter sketches an overview of the origins of and background to the constrained language
(or constrained communication) framework that informs this volume. It outlines the five constraint dimensions identified in
the framework, and the usage-based theoretical grounding of the framework. Subsequently, each chapter in the volume is
situated within the framework, highlighting how each study contributes to the further development of the framework. The
chapter concludes with some brief reflections on methodological challenges for the study of constrained language.
Afrikaans influence on genitive variation in South African English?
Authors: Rosenbach Anette , Kirsten Johanita 
Published: June 2024

Abstract
This chapter focuses on the historical development of genitive variation in White South African English
(WSAfE), taking into consideration the longstanding English–Afrikaans contact situation in South Africa and the similarities
between the constructions in English and Afrikaans. On the basis of a diachronic comparative study of WSAfE and Afrikaans
(with British English functioning as a baseline) we aim to assess if and how the close contact between these two languages in
South Africa has constrained the choice of genitive construction with non-animate possessors in WSAfE over the past 100 years.
Overall, our analysis suggests that the development of genitive variation has run in tandem in the two languages, with both
languages affecting each other over time. We also find that these cross-linguistic influence effects are mediated by
register.
Language contact and change through translation in Afrikaans and South African English
Authors: Redelinghuys Karien 
Published: June 2024

Abstract
Languages are constantly changing, and language contact has been identified as an important factor that
contributes to language change. Even though translation is a form of language contact, it has hardly been considered as a
factor in contact-induced language change. Against this background, this chapter investigates the potential role of
translation in language change in Afrikaans and South African English using a bidirectional comparable and parallel corpus
with synchronic and diachronic components. The investigation focuses on genitive variation – a linguistic feature that has
been shown to be undergoing change in the two languages as a consequence of language contact. The results show that
translation works in tandem with other factors to conventionalise change in terms of genitive preferences.
The complex case of constrained communication
Authors: Ivaska Ilmari , Bernardini Silvia , Ferraresi Adriano 
Published: June 2024

Abstract
In this study we explore the common ground between second-language writing and translated language as
instances of constrained language use. Our research design involves three languages (English, Finnish, Italian), two
constraining languages and two different registers in each of the three languages. These are compared in terms of frequency of
syntactic structures (part-of-speech [POS] bigrams), adopting a corpus-driven method combining keyness analysis and
multidimensional analysis. No general constrainedness effects that apply irrespective of languages and registers were
observed, but our results point to the centrality of the opposition between verbal and nominal orientation for distinguishing
constrained from unconstrained varieties. We conclude with suggestions on how our method and findings could lead to a deeper
understanding of constrained language use, and be extended to different modes of language production and to language contact
research in general.
Comparing contact effects in translation and second language writing
Authors: Neumann Stella , Kerz Elma , Heilmann Arndt 
Published: June 2024

Abstract
This chapter compares the role of the bilingual text production context in (second language) L2 writing and
translation. Although both tasks involve activation of the two languages involved, their influence may differ. To explore this
influence against the background of variation along the constraint dimensions, we analyse a corpus of 204 English texts with
the help of geometric multivariate analysis based on automatic counts for a range of lexicogrammatical features. The analysis
indicates a combined influence of register and expertise and a more subtle effect of the bilingual production context in L2
writing. Although translation involves going back and forth between the source and the target language, translations in our
data cluster more with L1 originals in the target language.
Spectral splitting phenomenon caused by strong coupling of surface plasmon polariton mode and epsilon-near-zero mode
Authors: Yang Yutong , Wang Qiao , Kuang Kaili , Yuan Xiaomin , Chu Han , Chang Fangjin , Peng Wei 
Published: June 2024

Abstract
The strong coupling effect plays an important role in optimizing the optical properties of nano-photonics and improves the efficiency of manipulating light. However, coupling systems for nano-photonic devices usually have problems with complex structure, large size and low coupling strength. To address these issues, we design a nanograting structure to realize the strong coupling between the surface plasmon polariton mode and the epsilon-near-zero mode. The reflection spectra of the designed nanostructure show obvious Rabi splitting phenomenon. The Rabi splitting phenomenon is further verified by the theoretical result. In addition, the factors influencing the coupling effect strength in the nanostructure are analyzed. The proposed nanostructure can be used in nano-photonic devices such as sensors.
Investigating electron-induced dissociation dynamics in the organometallic precursor Fe(CO)5: a nonadiabatic molecular dynamics approach
Authors: Cui Enhao , Zheng Zhihua , Gao Menghao , Yao Xiaolong 
Published: June 2024

Abstract
This research employs excited states molecular dynamics simulations to explore the electron-induced dissociation behavior of Fe(CO)5 molecules, with the specific focus on electronic excitation. The study initiates with the detailed analysis of the molecule’s stable ground state structure. Subsequent simulations reveal distinctive dissociation patterns in various bonds, particularly noting the rapid dissociation of bonds between Fe and C1, Fe and C2, while those with Fe and C3 oscillate without complete dissociation. Emphasizing the influence of the transition from the highest occupied molecular orbital to the lowest unoccupied molecular orbital on reactivity, the investigation sheds light on the charge transfer phenomenon during dissociation through Bader analysis. Insights into transitions between excited and ground states are derived from the time evolution of the Kohn–Sham orbital. This study significantly contributes to understanding intricate dissociation mechanisms under electronic excitation, especially in molecules like Fe(CO)5 characterized by complex chemical bonds. Beyond theoretical exploration, the research holds practical significance for applications in nanomaterials, such as focused electron beam-induced deposition and the fabrication of nanoscale structures, enriching our comprehension of electronic-excitation-induced dissociation and advancing both theoretical understanding and practical applications in this field.
Deciphering diffuse scattering with machine learning and the equivariant foundation model: the case of molten FeO
Authors: Sivaraman Ganesh , Benmore Chris J 
Published: June 2024

Abstract
Bridging the gap between diffuse x-ray or neutron scattering measurements and predicted structures derived from atom–atom pair potentials in disordered materials, has been a longstanding challenge in condensed matter physics. This perspective gives a brief overview of the traditional approaches employed over the past several decades. Namely, the use of approximate interatomic pair potentials that relate three-dimensional structural models to the measured structure factor and its’ associated pair distribution function. The use of machine learned interatomic potentials has grown in the past few years, and has been particularly successful in the cases of ionic and oxide systems. Recent advances in large scale sampling, along with a direct integration of scattering measurements into the model development, has provided improved agreement between experiments and large-scale models calculated with quantum mechanical accuracy. However, details of local polyhedral bonding and connectivity in meta-stable disordered systems still require improvement. Here we leverage MACE-MP-0; a newly introduced equivariant foundation model and validate the results against high-quality experimental scattering data for the case of molten iron(II) oxide (FeO). These preliminary results suggest that the emerging foundation model has the potential to surpass the traditional limitations of classical interatomic potentials.
Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene
Authors: Zhang Qingxin , Shao Xuecheng , Li Wei , Mi Wenhui , Pavanello Michele , Akimov Alexey V 
Published: June 2024

Abstract
In this work, we report the development and assessment of the nonadiabatic molecular dynamics approach with the electronic structure calculations based on the linearly scaling subsystem density functional method. The approach is implemented in an open-source embedded Quantum Espresso/Libra software specially designed for nonadiabatic dynamics simulations in extended systems. As proof of the applicability of this method to large condensed-matter systems, we examine the dynamics of nonradiative relaxation of excess excitation energy in pentacene crystals with the simulation supercells containing more than 600 atoms. We find that increased structural disorder observed in larger supercell models induces larger nonadiabatic couplings of electronic states and accelerates the relaxation dynamics of excited states. We conduct a comparative analysis of several quantum-classical trajectory surface hopping schemes, including two new methods proposed in this work (revised decoherence-induced surface hopping and instantaneous decoherence at frustrated hops). Most of the tested schemes suggest fast energy relaxation occurring with the timescales in the 0.7–2.0 ps range, but they significantly overestimate the ground state recovery rates. Only the modified simplified decay of mixing approach yields a notably slower relaxation timescales of 8–14 ps, with a significantly inhibited ground state recovery.
Pt-based graphene quantum dots for water dissociation
Authors: Belletti G D , Goncebat L , Schmickler W , Colombo E , Quaino P 
Published: June 2024

Abstract
It is widely recognized that Pt nanostructures exhibit favorable catalytic properties for several important technological reactions. Furthermore, selecting an appropriate support has the potential to enhance the catalytic activity of these materials. In this study, we investigate Pt nanoparticles deposited on quantum dots using quantum chemical calculations. We explore the utilization of low-dimensional carbonaceous support by employing graphene quantum dots (GQDs), which offer abundant active sites, such as edges, and diverse conformations. This provides excellent tuning possibilities for both chemical and physical properties. Our goal is to gather information on the alterations in electronic properties, charge redistribution and reactivity of platinum particles on GQD, also analyzing their potential role as catalysts in the water dissociation reaction. Based on thermodynamic and kinetic considerations, our calculations suggest that a Pt3 nanoparticle adsorbed on the edge of the GQD exhibits favorable energetics, leading to a promising catalytic material.
Non-invasive temperature monitoring in fixed-bed reactors by electrical capacitance tomography
Authors: Weiss Michael , Fischerauer Alice , Jess Andreas , Fischerauer Gerhard 
Published: June 2024

Abstract
Knowledge of the temperature distribution in fixed-bed reactors is of great importance for process control and optimization in many processes of the chemical industry. The state of the art is defined by invasive measuring methods for temperature measurement in such reactors. However, all invasive methods influence both the structure of the fixed-bed and the flow conditions and thus falsify the measurement results compared to real undisturbed conditions in a fixed-bed, above all with regard to the radial temperature profile. In addition, the temperature distribution in the entire reactor is usually derived from a few discrete measuring points based on a model, which sometimes results in large deviations from reality. In this article, electrical capacitance tomography (ECT) is explored as an alternative, non-invasive measurement method to monitor the temperature distribution inside fixed-bed reactors. The method exploits the temperature dependence of the effective bulk permittivity of the reactor filling. By way of an example, this dependence has been investigated in this work for two different hydrogenation catalysts. A temperature-resistant ECT sensor has been designed to perform measurements under the influence of temperature. The investigations show that, with the aid of ECT, it is possible to detect relative temperature changes in the region of interest with the materials examined.
Ensemble learning soft sensor method of endpoint carbon content and temperature of BOF based on GCN embedding supervised ensemble clustering
Authors: Gu Yongfeng , Liu Hui , Chen Fugang , Xue XiaoJun , Li Heng 
Published: June 2024

Abstract
The endpoint control of Basic Oxygen Furnace (BOF) steelmaking depends on the prediction of the endpoint carbon content and temperature. However, predicting these variables is challenging because of the numerous working conditions in the industrial field and the volatility of the sensor data collected during BOF steelmaking. The accuracy of prediction models in ensemble learning depends significantly on the initial distribution of data. However, the complex nature of BOF steelmaking data makes it challenging to generate diverse subsets, which ultimately affects the accuracy of predictions. This paper presents a new approach called Graph Convolutional Network Node Embedding Supervised Ensemble Clustering (GESupEC) for soft sensor modelling in ensemble learning to tackle these issues. GESupEC utilizes a similarity graph derived from a co-association matrix and employs graph convolutional networks to extract structural information among nodes. By optimising the clustering loss within the network, GESupEC learns compact node representations that are useful for the clustering task. Furthermore, it generates a reconstruction matrix based on the similarity of node embeddings. This matrix helps with the extraction of a suitable subset of data for BOF steelmaking through matrix decomposition. After that, the gradient boosting decision tree regression sub-model is established based on the data subset. An ensemble strategy called Gray Relational Analysis Weighted Average is proposed, which assigns weights based on the grey relation similarity between test samples and different data subsets. This weighted average strategy aims to enhance the accuracy of carbon content and temperature predictions. When tested with actual BOF steelmaking generation process data, the prediction accuracy of carbon content reached 88.6% within the error range of ±0.02%, and the prediction accuracy of temperature reached 92.6% within the error range of ±10 °C.
Transformer fault diagnosis based on the improved QPSO and random forest
Authors: Liu Jie , Cai Bin , Yan Sinian , Sun Pan 
Published: June 2024

Abstract
Although dissolved gas analysis (DGA) is an effective method for transformer fault diagnosis, problems with the quality and accuracy of DGA characterization datasets often arise in practical industrial applications and face difficulties in adjusting the parameters of fault diagnosis models. To address the above problems, this paper proposes a fault diagnosis model (MD-IQPSO-RF) based on Mahalanobis distance (MD) data cleaning and improved quantum particle swarm (IQPSO) optimization of random forest (RF) parameters. Specifically, the abnormal samples of the DGA dataset are first processed by MD to improve the quality and accuracy of the dataset. Then, the RF parameters were optimized using the IQPSO algorithm to adjust the model parameters in order to improve the diagnostic performance of the RF. Finally, the optimal parameters of RF are output, and the training data are used to train the RF algorithm to construct the MD-IQPSO-RF transformer fault diagnosis model. The experimental results show that the model achieves an average accuracy of 93.631% for fault diagnosis, which is 6.92% higher than the unoptimized RF model. Comparison with other similar methods also achieved good results, which further validated the effectiveness of the fault diagnosis model.
Tailoring the ion storage of MXene by aramid nanofibers towards self-standing electrodes for flexible solid-state supercapacitors
Authors: Sun Yue , Li Xingxing , Ren Zihan 
Published: June 2024

Abstract
Two-dimensional (2D) transition metal carbides and nitrides (MXenes) are a class of 2D nanomaterials that can offer excellent properties for high-performance supercapacitors. Nevertheless, irreversible restacking of MXene sheets decreases the interlayer spacing, which inhibits the ion intercalation between the MXene nanosheets and finally deteriorates the electrochemical performance of supercapacitors. Herein, aramid nanofibers (ANFs) are mixed with Ti3C2T
x
MXene to prepare MXene/ANFs composite films. The restacking of MXene sheets is inhibited by the electrostatic repulsion between ANFs and MXene. The ANFs act as intercalation agents to increase the interlayer spacing of the composite films, which can improve the ion storage ability of supercapacitors. Furthermore, the ANFs enhance the mechanical strength of the composite films due to the strong hydrogen bonding interaction and nanomechanical interlocking between ANFs and MXene, endowing the composite films with self-standing property. The resultant composite films are used as electrodes for flexible solid-state supercapacitors to achieve high specific capacitance (996.5 mF cm−2 at 5 mV s−1) and outstanding cycling stability. Thus, this work provides a potential strategy to regulate the properties of 2D nanomaterials, which may expand the application of them in energy storage, ionic separation, osmotic energy conversion and beyond.