bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spontaneous Precipitation of Phosphates in Artificial Urine: Effect of Magnesium, Calcium, pH and Supersaturation
Authors: Zahraoui Brahim , Lahcene Driss , Naceur Mohamed Wahib , Maazouzi Abdelhak , Badri Abdelkader , Bensafi Mohamed 
Published: August 2023

AbstractUrinary stone disease affects a significant portion of the global population, with calcium phosphate and magnesium phosphate calculi being among the most prevalent types. In this study, we have grown crystals of DCPD and MAP using supersaturated artificial urine, which was prepared by mixing two equal volumes of solutions A and B. The aim of this investigation was to contribute to the understanding of the effect of Calcium or Magnesium concentration, supersaturation and pH on the crystallization of phosphate stones in artificial urine and the characterization of the precipitated phase. The initial molar ratio of Ca/P and Mg/P solutions was varied in the range of 0.0 to 0.35, while the solution pH was maintained between 6.0 and 8.0. The analysis of the crystals that precipitated using FT‐IR spectroscopy and X‐Ray diffraction techniques revealed that DCPD was obtained at acidic pH (6.0 and 6.5). MAP was obtained at basic pH (7.5 and 8.0). A mixture of DCPD and MAP was formed at neutral pH. The calculated supersaturation values of MAP, OCP, HAP and TCP increased with increase in pH. At lower (pH=5), the order of increasing stability is OCP<HAP<TCP<MAP<DCPD. For higher (pH=10), the order of increasing stability is DCPD<MAP<TCP<OCP<HAP.
Investigating Lysosomal Reactive Sulphur Species with Small Molecular Fluorescent Probes
Authors: Zhou Wanting , Tang Fuliang , Zhang Yu , Wang Kai , Shu Wei , Li Dongpeng , Xiao Haibin 
Published: August 2023

AbstractReactive sulphur species (RSS) play a vital role in cellular redox homeostasis and signal transduction. The lysosome is a vital organelle in eukaryotic cells involved in phagocytosis, digestion and degradation of proteins or damaged organelles, repair of cell membrane and energy metabolism. Lysosomal RSS are closely associated with normal functions of the lysosome, and abnormal RSS homeostasis may lead to lysosomal dysfunction and some serious diseases. Thus, real‐time visualization of lysosomal RSS is of great significance. Due to the prominent advantages of fluorescence imaging technology, many small molecular fluorescent probes for detecting lysosomal RSS have been developed. Herein, we have systematically summarized the versatile small molecular and lysosome‐targetable fluorescent probes available for detecting RSS, including their chemical structures, response mechanisms and bioapplications. In addition, we have highlighted the current status, challenges and developmental prospects for RSS‐responsive small molecular fluorescent probes. We sincerely hope that this review can instruct researchers interested in constructing new fluorescent probes for RSS and draw attention toward the significance of lysosomal RSS.
K2S2O8‐Mediated Radical Cascade Alkylation/Cyclization of Ynones: Access to Oxoalkyl‐Substituted Indenones
Authors: Tian Si‐Wei , Xiong Fang‐Ting , Xiong Bi‐Quan , Zhong Long‐Jin , Tang Ke‐Wen , Liu Yu 
Published: August 2023

AbstractA simple and efficient oxidative‐promoted radical cascade annulation of ynone derivatives with ketones for the construction of a series of oxoalkyl‐substituted indenones in moderate to good yields is described. The control experiment results indicate that the oxidative acetmethylation/arylation of ynone derivatives involves a radical cascade cyclization process. This is an operationally simple and efficient protocol which will be attractive in organic synthesis chemistry.
An Effective Approach to Enhance Hydrogen Evolution Reaction and Hydrogen Oxidation Reaction by Ni Doping to MoO3
Authors: Zhu Lijie , Li Zhixin , Yang Muzi , Zhou Yifan , Chen Jian , Xie Fangyan , Wang Nan , Jin Yanshuo , Sun Shuhui , Meng Hui 
Published: August 2023

AbstractThe development of bifunctional catalysts that facilitate both the hydrogen evolution reaction (HER) and hydrogen oxidation reaction (HOR) in alkaline environment is crucial for realizing unitized regenerative anion‐exchange membrane fuel cells. In this study, a novel strategy to modulate the electron density of MoO3 through Ni doping (sample named NixMo1−xO3) is reported. Ni is incorporated to replace Mo atoms in MoO3. Specifically, NixMo1−xO3 is combined with optimal adsorption energy, along with MoO2/Mo2N hybrid with high conductivity. The resulting NixMo1−xO3 supported on MoO2/Mo2N hybrid (sample named as NixMo1−xO3‐H) exhibits excellent alkaline HER activity, with an overpotential of only 16 mV at 10 mA cm−2 and a Tafel slope of 54 mV dec−1. In addition, the NixMo1−xO3‐H demonstrates an ultrahigh HOR performance with a high exchange current density (3.852 mA cm−2). The catalyst's breakdown potential of 0.23 V indicates its ability to withstand higher voltages without breaking down. As evidenced by the results, this characteristic leads to improved stability. These results are higher than those of the other catalysts reported, which indicates that the electron density of MoO3 can be effectively modulated through Ni doping, leading to excellent HER and HOR performance.
Ag2S Biocompatible Ensembles as Dual OCT Contrast Agents and NIR Ocular Imaging Probes
Authors: Coro Amalia , Herrero Ruiz Ada , Pazo‐González Mateo , Sánchez‐Cruz Alonso , Busch Tobias , Hernández Medel Alejandro , Ximendes Erving C. , Ortgies Dirk H. , López‐Méndez Rosalía , Espinosa Ana , Jimenez de Aberasturi Dorleta , Jaque Daniel , Fernández Monsalve Nuria , de la Rosa Enrique J. , Hernández‐Sánchez Catalina , Martín Rodríguez Emma , H. Juárez Beatriz 
Published: August 2023

AbstractAg2S nanoparticles (NPs) emerge as a unique system that simultaneously features in vivo near‐infrared (NIR) imaging, remote heating, and low toxicity thermal sensing. In this work, their capabilities are extended into the fields of optical coherence tomography (OCT), as contrast agents, and NIR probes in both ex vivo and in vivo experiments in eyeballs. The new dual property for ocular imaging is obtained by the preparation of Ag2S NPs ensembles with a biocompatible amphiphilic block copolymer. Rather than a classical ligand exchange, where surface traps may arise due to incomplete replacement of surface sites, the use of this polymer provides a protective extra layer that preserves the photoluminescence properties of the NPs, and the procedure allows for the controlled preparation of submicrometric scattering centers. The resulting NPs ensembles show extraordinary colloidal stability with time and biocompatibility, enhancing the contrast in OCT with simultaneous NIR imaging in the second biological window.
Data interoperability between DDS and HLA through a dynamically reconfigurable gateway
Authors: Kaya M. Cagri , Cilden Erkin , Karamanlioglu Alper , Murat Furkan , Dogru Ali H. , Oguztuzun Halit 
Published: August 2023

AbstractSoftware systems need to be complex and large‐scale to keep up with growing user expectations with ever‐increasing technological improvements. Building these systems from scratch is costly and time‐consuming; thus, the importance of reuse and interoperability is increasing. Live‐virtual‐constructive (LVC) simulation systems are composed of multiple heterogeneous subsystems. These subsystems may have different implementations and designs. In such multiarchitecture LVC environments, gateways are promising solutions to address interoperability issues. In this article, a gateway‐based solution is proposed to achieve LVC interoperability with a particular focus on two standard middleware, namely, data distribution service for real‐time systems (DDS) and high‐level architecture (HLA) for distributed simulation. The gateway is capable of providing two‐way data transfer between DDS and HLA. The design of the gateway adheres to the idea of configurable connectors, which allow users to generate a customized gateway. The gateway is capable of converting primitive and structured data types between DDS and HLA. These conversions are specified by users resulting in different configurations of the gateway. The gateway can also be adapted to different configurations at runtime. This research addresses the increasing importance of interoperability and reuse considering the complex and large‐scale LVC systems. The effectiveness of the proposed gateway is demonstrated by academic and industrial case studies.
The glue that makes it “hang together”: A framework for identifying how metadiscourse facilitates uncertainty navigation during knowledge building discussions
Authors: Ko Mon‐Lin Monica , Luna Melissa J. 
Published: August 2023

AbstractClassroom discussions have become a centerpiece of reform efforts in science education because talk mediates the joint co‐constructing of knowledge in science classrooms. Although decades of research underscore the importance of talk in supporting science learning, the science education community continues to grapple with how to support teachers and students in navigating the uncertainty that is associated with doing knowledge building work. To address these challenges, we must examine not just what gets constructed (the scientific ideas), but how knowledge is co‐constructed by teachers and students (the process of building those ideas) amidst uncertainty. In this study, we propose a conceptual tool for identifying organizational, epistemic, and interpretive metadiscourse markers (MDMs) in science talk. We highlight how teachers and students use these three types of MDMs as they navigate uncertainty while connecting ideas within and across multiple turns of talk, leveraging resources for knowledge building, and making interpretations about one another's ideas. We conclude with a set of suggestions for how researchers and teachers can utilize this framework to attend to the ways that MDMs index the organizational, epistemic, and interpretive dimensions of uncertainty in the knowledge building process.
Spin‐coated transparent hydrophobic, self‐cleaning surfaces using PDMS, iTES with PF‐127
Authors: Cathelene Antonette L. , Shanthi J. 
Published: August 2023

AbstractHydrophobic self‐cleaning surfaces exhibit low surface energy. The low surface interaction allows the water droplets to roll off easily. In this work, transparent hydrophobic coating was fabricated using precursors Polydimethylsiloxane (PDMS), Isobutyltriethoxysilane (iTES), and Pluronic F127 (PF‐127), as pore generator. PDMS/PF‐127 and iTES/PF‐127 composite films were fabricated by acid catalyzed sol gel technique. UV‐visible spectroscopy analysis revealed enhancement of optical transparency by 3% for PDMS/PF‐127 than iTES/PF‐127 composite surface. Transparency of PDMS/PF‐127 was maintained throughout visible region proving film stability. Porous nature was confirmed by Field Emission Scanning Electron Microscopy analysis. Water contact angle of 107° for PDMS/PF‐127 and 103° for iTES/PF‐127 was obtained. 3D laser profilometery analysis revealed PDMS/PF‐127 coated surface was rougher than iTES/PF‐127 composite film. Sand particles sprinkled on coated surface buckled upon contact with water, exhibiting self‐cleaning ability.
Effect of urea‐molasses‐treated highland bamboo leaves supplementation on lactating crossbred dairy cows nutrient utilization, body weight, milk yield and its composition and economic performance under on‐farm condition in Guagusa Shikudad district, Ethiopia
Authors: Tirusew Semahegn , Mekuriaw Yeshambel , Ebro Abule , Aranguiz Adolfo Alvarez , van der Lee Jan 
Published: August 2023

AbstractBackgroundIn Ethiopia, locally available feed resources are commendable in livestock production to make the sector sustainable and productive.ObjectivesThis on‐farm evaluation was conducted to evaluate the effect of urea‐molasses‐treated highland bamboo (Yushania alpina) leaves (UMTHBL) in lactating crossbred dairy cows’ nutrient utilization, body performance, milk yield and quality and economic performance.MethodsOn‐farm feeding trial was conducted using 12 lactating cows with initial body weight (328.08 ± 0.98 kg), initial milk yield (3.14 ± 0.78 L) of uniform parity (2) and stage of lactation (early) using a Randomized Complete Block Design. Three dietary treatments, namely, 6 h grazing (control) + concentrate (T1), control + UMTHBL ad lib (T2), control + untreated BL adlib (T3) with three replications were used. Analysis of variance was employed for the feeding trial data analysis.ResultsThe UMTHBL increased more dry matter and nutrients intake than untreated. A significant difference (p < 0.05) was recorded between UMTHBL feeding (T2) and T1 and T3 in terms of increased milk yield. The highest (6.26 L) and the lowest (3.27 L) mean milk yield per day were recorded for cows fed UMTHBL and the control group, respectively. Urea‐molasses treatment improved the crude protein (CP) and reduced fibres content than untreated. Treatment effects were not‐significant (p > 0.05) for milk compositions. Similar to milk yield, dairy cows in T2 consumed more CP which is also reflected in higher body weight and economic benefit.ConclusionIt can be concluded that employing treatment technology for highland bamboo leaves could support the crossbred dairy cows’ production in smallholder farmers.
Controllable AI - An Alternative to Trustworthiness in Complex AI Systems?
Authors: Kieseberg Peter , Weippl Edgar , Tjoa A. Min , Cabitza Federico , Campagner Andrea , Holzinger Andreas 
Published: August 2023

AbstractThe release of ChatGPT to the general public has sparked discussions about the dangers of artificial intelligence (AI) among the public. The European Commission’s draft of the AI Act has further fueled these discussions, particularly in relation to the definition of AI and the assignment of risk levels to different technologies. Security concerns in AI systems arise from the need to protect against potential adversaries and to safeguard individuals from AI decisions that may harm their well-being. However, ensuring secure and trustworthy AI systems is challenging, especially with deep learning models that lack explainability. This paper proposes the concept of Controllable AI as an alternative to Trustworthy AI and explores the major differences between the two. The aim is to initiate discussions on securing complex AI systems without sacrificing practical capabilities or transparency. The paper provides an overview of techniques that can be employed to achieve Controllable AI. It discusses the background definitions of explainability, Trustworthy AI, and the AI Act. The principles and techniques of Controllable AI are detailed, including detecting and managing control loss, implementing transparent AI decisions, and addressing intentional bias or backdoors. The paper concludes by discussing the potential applications of Controllable AI and its implications for real-world scenarios.
Efficient Approximation of Asymmetric Shapley Values Using Functional Decomposition
Authors: Gevaert Arne , Saranti Anna , Holzinger Andreas , Saeys Yvan 
Published: August 2023

AbstractAsymmetric Shapley values (ASVs) are an extension of Shapley values that allow a user to incorporate partial causal knowledge into the explanation process. Unfortunately, computing ASVs requires sampling permutations, which quickly becomes computationally expensive. We propose A-PDD-SHAP, an algorithm that employs a functional decomposition approach to approximate ASVs at a speed orders of magnitude faster compared to permutation sampling, which significantly reduces the amortized complexity of computing ASVs when many explanations are needed. Apart from this, once the A-PDD-SHAP model is trained, it can be used to compute both symmetric and asymmetric Shapley values without having to re-train or re-sample, allowing for very efficient comparisons between different types of explanations.
Castelnuovo–Mumford Regularity of Projective Monomial Curves via Sumsets
Authors: Gimenez Philippe , González-Sánchez Mario 
Published: August 2023

AbstractLet $$A=\{a_0,\ldots ,a_{n-1}\}$$

A
=
{

a
0

,
…
,

a

n
-
1

}

be a finite set of $$n\ge 4$$

n
≥
4

non-negative relatively prime integers, such that $$0=a_0<a_1<\cdots <a_{n-1}=d$$

0
=

a
0

<

a
1

<
⋯
<

a

n
-
1

=
d

. The s-fold sumset of A is the set sA of integers that contains all the sums of s elements in A. On the other hand, given an infinite field k, one can associate with A the projective monomial curve $$\mathcal {C}_A$$

C
A

parametrized by A, $$\begin{aligned} \quad \mathcal {C}_A=\{(v^d:u^{a_1}v^{d-a_1}:\cdots :u^{a_{n-2}}v^{d-a_{n-2}}:u^d) \mid (u:v)\in \mathbb {P}^{1}_k\}\subset \mathbb {P}^{n-1}_k. \end{aligned}$$

C
A

=

{

(

v
d

:

u

a
1

v

d
-

a
1

:
⋯
:

u

a

n
-
2

v

d
-

a

n
-
2

:

u
d

)

∣

(
u
:
v
)

∈

P

k
1

}

⊂

P

k

n
-
1

.

The exponents in the previous parametrization of $$\mathcal {C}_A$$

C
A

define a homogeneous semigroup $$\mathcal {S}\subset \mathbb {N}^2$$

S
⊂

N

2

. We provide several results relating the Castelnuovo–Mumford regularity of $$\mathcal {C}_A$$

C
A

to the behavior of the sumsets of A and to the combinatorics of the semigroup $$\mathcal {S}$$
S
that reveal a new interplay between commutative algebra and additive number theory.
Resilienz deutscher Kliniken in Amok- und Terrorlagen
Authors: Schulz Marvin , Oestmann Jörg-Wilhelm , Schütz Thorsten 
Published: August 2023

Zusammenfassung
Hintergrund
Krankenhäuser müssen sich als kritische Infrastruktur (KRITIS) auf terroristische Anschläge sowie Amoklagen einstellen und mögliche Schadensabwehrmaßnahmen vorbereiten, da sie leicht zu treffende Ziele mit hoher Symbolkraft darstellen.

Methode
In der vorliegenden Arbeit wurde die terroristische Bedrohungslage anhand einer Auswertung der Terrorist Event Database (TED) für den Zeitraum 1970–2017 quantifiziert. Darüber hinaus wurden die Bedrohungsperzeption sowie die getroffenen Vorbereitungen mittels einer Online-Umfrage unter den Leitenden deutscher Notaufnahmen erfasst.

Ergebnisse
Die Auswertung der TED zeigt international einen Anstieg der terroristischen Angriffe auf medizinische Einrichtungen mit Schwerpunkt in Ländern im (Bürger‑)Kriegszustand sowie in den USA. Der Einsatz von Explosivstoffen führte im untersuchten Zeitraum zu einer hohen Anzahl an Verletzten und Toten. Die Online-Befragten empfanden eine Vorbereitung der Klinik auf terroristische Szenarien in ihren Krankenhausalarm- und -einsatzplänen (KAEP) überwiegend als wichtig. In den bestehenden KAEP waren entsprechende Maßnahmen dennoch häufig nicht etabliert. Nur in 59,4 % wurde die Verletztenversorgung im Rahmen eines terroristischen Angriffs und nur in 34 % die Sicherung der Infrastruktur behandelt.

Schlussfolgerung
Deutsche Kliniken sollten sich als kritische Infrastruktur sowie als mögliches Ziel terroristischer Anschläge verstehen und sich auf terroristische Bedrohungen vorbereiten. Viele günstig umzusetzende Maßnahmen sind in den Kliniken nicht ausgeschöpft und sollten zeitnah sowohl in den KAEP als auch in den Alltag integriert werden.
A rotorcraft in-flight ice detection framework using computational aeroacoustics and Bayesian neural networks
Authors: Morelli Myles , Hauth Jeremiah , Guardone Alberto , Huan Xun , Zhou Beckett Y. 
Published: August 2023

AbstractThis work develops a novel ice detection framework specifically suitable for rotorcraft using computational aeroacoustics and Bayesian neural networks. In an offline phase of the work, the acoustic signature of glaze and rime ice shapes on an oscillating wing are computed. In addition, the aerodynamic performance indicators corresponding to the ice shapes are also monitored. These performance indicators include the lift, drag, and moment coefficients. A Bayesian neural network is subsequently trained using projected Stein variational gradient descent to create a mapping from the acoustic signature generated by the iced wings to predict their performance indicators along with quantified uncertainty that is highly important for time- and safety-critical decision-making scenarios. While the training is carried out fully offline, usage of the Bayesian neural network to make predictions can be conducted rapidly online allowing for an ice detection system that can be used in real time and in-flight.
Unraveling the mechanisms underlying drug-induced cholestatic liver injury: identifying key genes using machine learning techniques on human in vitro data sets
Authors: Jiang Jian , van Ertvelde Jonas , Ertaylan Gökhan , Peeters Ralf , Jennen Danyel , de Kok Theo M. , Vinken Mathieu 
Published: August 2023

AbstractDrug-induced intrahepatic cholestasis (DIC) is a main type of hepatic toxicity that is challenging to predict in early drug development stages. Preclinical animal studies often fail to detect DIC in humans. In vitro toxicogenomics assays using human liver cells have become a practical approach to predict human-relevant DIC. The present study was set up to identify transcriptomic signatures of DIC by applying machine learning algorithms to the Open TG-GATEs database. A total of nine DIC compounds and nine non-DIC compounds were selected, and supervised classification algorithms were applied to develop prediction models using differentially expressed features. Feature selection techniques identified 13 genes that achieved optimal prediction performance using logistic regression combined with a sequential backward selection method. The internal validation of the best-performing model showed accuracy of 0.958, sensitivity of 0.941, specificity of 0.978, and F1-score of 0.956. Applying the model to an external validation set resulted in an average prediction accuracy of 0.71. The identified genes were mechanistically linked to the adverse outcome pathway network of DIC, providing insights into cellular and molecular processes during response to chemical toxicity. Our findings provide valuable insights into toxicological responses and enhance the predictive accuracy of DIC prediction, thereby advancing the application of transcriptome profiling in designing new approach methodologies for hazard identification.
Enrichment and structural assignment of geometric isomers of unsaturated furan fatty acids
Authors: Müller Franziska , Conrad Jürgen , Hammerschick Tim , Vetter Walter 
Published: August 2023

Abstract Furan fatty acids (FuFAs) are valuable minor fatty acids, which are known for their excellent radical scavenging properties. Typically, the furan moiety is embedded in an otherwise saturated carboxyalkyl chain. Occasionally, these classic FuFAs are accompanied by low amounts of unsaturated furan fatty acids (uFuFAs), which additionally feature one double bond in conjugation with the furan moiety. A recent study produced evidence for the occurrence of two pairs of E-/Z-uFuFA isomers structurally related to saturated uFuFAs. Here, we present a strategy that allowed such trace compounds to be enriched to a level suited for structure determination by NMR. Given the low amounts and the varied abundance ratio of the four uFuFA isomers, the isolation of individual compounds was not pursued. Instead, the entire isomer mixture was enriched to an amount and purity suitable for structure investigation with contemporary NMR methods. Specifically, lipid extracted from 150 g latex, the richest known source of FuFAs, was subsequently fractionated by countercurrent chromatography (CCC), silver ion, and silica gel column chromatography. Analysis of the resulting mixture of four uFuFAs isomers (2.4 mg in an abundance ratio of 56:23:11:9) by different NMR techniques including PSYCHE verified that the structures of the two most abundant isomers were E-9-(3-methyl-5-pentylfuran-2-yl)non-8-enoic acid and E-9-(3-methyl-5-pent-1-enylfuran-2-yl)nonanoic acid. Additionally, we introduced a computer-based method to generate an averaged chromatogram from freely selectable GC/MS runs of CCC fractions without the necessity of pooling aliquots. This method was found to be suitable to simplify subsequent enrichment steps.
Graphical Abstract