bluuebunny/crossref_metadata_2025_split huggingface dataset:
P1 Push‐Pull Dye as a Case Study in QM/MM Theoretical Characterization for Dye‐sensitized Solar Cell Organic Chromophores**
Authors: D'Annibale Valeria , Chen Cheng Giuseppe , Bonomo Matteo , Dini Danilo , D'Abramo Marco 
Published: April 2023

AbstractIn this work, an accurate modelling of the absorption spectrum and of the ground and excited state redox properties of the P1 dye – a benchmark system in p‐type Dye‐sensitized Solar Cells (p‐DSCs) – is presented. The computed values were obtained by means of a QM/MM approach that combines a low computational cost with a proper treatment of the effects of the environment. The good agreement between our theoretical‐computational estimates and the available experimental data underlines how a proper description of the redox thermodynamics of the ground and electronic excited states of the dye in a realistic environment can be provided by in silico modelling.
A comprehensive overview of MXene‐based anode materials for univalent metal ions (Li+, Na+, and K+) and bivalent zinc ion capacitor application
Authors: Dubey Prashant 
Published: April 2023

AbstractThe excellence of MXene electrode material for high performance battery and supercapacitor devices represents immense possibility to construct MXene‐based metal ion capacitors (MICs) with a high energy/power density and long cyclic life. Various reports indicate that the MXene and its composites/heterostructures can be a suitable anode material to assemble MICs in non‐aqueous/aqueous electrolytes. The pillaring of MXenes with Sn4+, Fe2O3, TiO2, Fe3O4/C, SnO2, NaNbO3, MoS2, CNTs, graphene, etc. effectively alleviates restacking of nanosheets and provides large interlayer spacing as well as additional active sites. Formation of three‐dimensional network with porous structures and heteroatom doping are also advantageous for high performance electrode materials. Results indicate that the MICs can achieve a high energy density (up to 241 Wh kg−1) like rechargeable battery, a high power density (up to 25,000 W kg−1) like supercapacitor, and a satisfactory cyclic stability. This article reviews state‐of‐the art MXene‐based anode materials for various MICs. After a brief introduction about the MICs, its storage principle, historical background, and insights of the MXene synthesis, property, and storage mechanism, the article summarizes/evaluates the electrochemical performance of various MICs assembled by the MXene‐based anode materials. Finally, we outline challenges/future prospects of the MICs using MXene‐based anode materials.
Efficient Fe3O4@TiO2 Composite Nanoparticles Catalyzed Synthesis of Novel Azo Xanthene Dyes with Promising Antimicrobial Activity
Authors: Abdolmohammadi Shahrzad , Hossaini Zinatossadat , Azizi Zahra 
Published: April 2023

AbstractA number of novel azo xanthene dyes were prepared via a convenient and rapid cyclocondensation reaction of 3,4‐methylenedioxyphenol with pre‐synthesized (E)‐1,2‐diphenyl‐1‐diazenes in the molar ratio of 2 : 1. The synthesis was carried out in the presence of Fe3O4@TiO2 composite nanoparticles in aqueous ethanol solution at room temperature. This method offers several benefits such as simple experimental work‐up procedure, maximum eco‐friendly manner, short reaction time, and especially high yields of products. The synthesized dyes were investigated for their antibacterial activity and very good results were obtained.
Controlling the Self‐Assembly of Hierarchical PS‐b‐P4VP Structures Prepared by Dip‐Coating and Emulsion Breath Figure Techniques
Authors: Nguyen Hoang M. , Mader Ariane V. , De Swarnalok , Basarir Fevzihan , Vapaavuori Jaana 
Published: April 2023

AbstractThe breath figure (BF) method is a common laboratory‐scale pathway for fabricating porous structures. The emulsion BF approach, one of the BF variations, has attracted increasing attention since it bypasses the high humidity requirement, which is characteristic for the conventional BF method. In this paper, we used the emulsion BF technique with PS‐b‐P4VP block copolymer (BCP) and SiO2 nanoparticles (NPs) as the stabilizers for water droplets. We combined this with the dip‐coating technique to obtain a hierarchical structure consisting of BF pores and BCP nanodomains. By altering the dip‐coating speeds and the NPs’ surface wetting properties and size, the average diameters of BF pores could be controlled. Notably, we were able to achieve both nano and microscale BF pores in the network. The effect of NPs for stabilization and dip‐coating parameters on BF pores and BCP nanodomains formation was established, extending the comprehension of this underdeveloped subject.
An Efficient Approach Towards the Synthesis of Nintedanib
Authors: Maji Saroj , Barman Souvik , Panda Gautam 
Published: April 2023

AbstractNintedanib, a potent, oral, small‐molecule tyrosine kinase inhibitor, is known as a triple angiokinase inhibitor, inhibiting three major signaling pathways in angiogenesis. Here, we report full details of the alternative path toward the synthesis of nintedanib via novel intermediates. A key feature of our approach is the stereoselective intramolecular cyclization strategy that enables the concise conversion of β‐keto amide into a 3‐acyloxindole derivative, which is an important scaffold for nintedanib synthesis. Subsequent condensation of oxindole scaffold with synthesized amine derivative led to the drug nintedanib with good yields.
Reversed Regulation Effects of ssDNA on the Mimetic Oxidase and Peroxidase Activities of Covalent Organic Frameworks
Authors: Zhang Li , Tan Quan‐Gen , Xiao Sai‐Jin , Yang Gui‐Ping , Zheng Qiong‐Qing , Sun Chen , Mao Xiang‐Lan , Fan Jia‐Qi , Liang Ru‐Ping , Qiu Jian‐Ding 
Published: April 2023

AbstractNanomaterials with enzyme mimetic activity have attracted extensive attention, especially in the regulation of their catalytic activities by biomolecules or other polymers. Here, a covalent organic framework (Tph‐BT COF) with excellent photocatalytic activity is constructed by Schiff base reaction, and its mimetic oxidase activity and peroxidase activity is inversely regulated via single‐stranded DNA (ssDNA). Under light‐emitting diode (LED) light irradiation, Tph‐BT exhibited outstanding oxidase activity, which efficiently catalyzed oxidation of 3,3′,5,5′‐tetramethylbenzidine (TMB) to produce blue oxTMB, and ssDNA, especially those with poly‐thymidine (T) sequences, can significantly inhibit its oxidase activity. On the contrary, Tph‐BT showed weak peroxidase activity, and the presence of ssDNA, particularly poly‐cytosine (C) sequences, can remarkably enhance the peroxidase activity. The influence of base type, base length, and other factors on the activities of two enzymes is also studied, and the results reveal that the adsorption of ssDNA on the surface of Tph‐BT prevented intersystem crossing (ISC) and energy transfer processes to reduce 1O2 generation, while the electrostatic interaction between ssDNA and TMB enhanced Tph‐BT's affinity for TMB to facilitate the electron transfer from TMB to •OH. This study investigates multitype mimetic enzyme activities of nonmetallic D‐A conjugated COFs and demonstrates their feasibility of regulation by ssDNA.
Sandwich‐Structured Quasi‐Solid Polymer Electrolyte Enables High‐Capacity, Long‐Cycling, and Dendrite‐Free Lithium Metal Battery at Room Temperature
Authors: Liu Qi , Dan Yongjie , Kong Miqiu , Niu Yanhua , Li Guangxian 
Published: April 2023

AbstractThe insufficient ionic conductivity, limited lithium‐ion transference number (tLi+), and high interfacial impedance severely hinder the practical application of quasi‐solid polymer electrolytes (QSPEs). Here, a sandwich‐structured polyacrylonitrile (PAN) based QSPE is constructedin which MXene‐SiO2 nanosheets act as a functional filler to facilitate the rapid transfer of lithium‐ion in the QSPE, and a polymer and plastic crystalline electrolyte (PPCE) interface modification layer is coated on the surface of the PAN‐based QSPE of 3 wt.% MXene‐SiO2 (SS‐PPCE/PAN‐3%) to reduce interfacial impedance. Consequently, the synthesized SS‐PPCE/PAN‐3% QSPE delivers a promising ionic conductivity of ≈1.7 mS cm−1 at 30 °C, a satisfactory tLi+ of 0.51, and a low interfacial impedance. As expected, the assembled Li symmetric battery with SS‐PPCE/PAN‐3% QSPE can stably cycle more than 1550 h at 0.2 mA cm−2. The Li||LiFePO4 quasi‐solid‐state lithium metal battery (QSSLMB) of this QSPE exhibits a high capacity retention of 81.5% after 300 cycles at 1.0 C and at RT. Even under the high‐loading cathode (LiFePO4 ≈ 10.0 mg cm−2) and RT, the QSSLMB achieves a superior area capacity and good cycling performance. Besides, the assembled high voltage Li||NMC811(loading ≈ 7.1 mg cm−2) QSSLMB has potential applications in high‐energy fields.
Induction of immunogenic cell death effect of licoricidin in cervical cancer cells by enhancing endoplasmic reticulum stress‐mediated high mobility group box 1 expression
Authors: Wu Pei‐Ju , Chiou Hui‐Ling , Hsieh Yi‐Hsien , Lin Chia‐Liang , Lee Hsiang‐Lin , Liu I‐Chun , Ying Tsung‐Ho 
Published: April 2023

AbstractLicoricidin (LCD) is an activity compound of the roots of Glycyrrhiza uralensis, which has therapeutic efficacy, including anti‐virus, anti‐cancer, and enhanced immunity in Traditional Chinese Medicine. Herein, this study aimed to clarify the effect of LCD on cervical cancer cells. In the present study, we found that LCD significantly inhibited cell viability via inducing cell apoptosis and companies with cleaved‐PARP protein expression and caspase‐3/‐9 activity. Cell viability was markedly reversed these effects by pan‐caspase inhibitor Z‐VAD‐FMK treatment. Furthermore, we showed that LCD‐induced ER (endoplasmic reticulum) stress triggers upregulating the protein level of GRP78 (Bip), CHOP, and IRE1α, and subsequently confirmed the mRNA level by quantitative real‐time polymerase chain reaction. In addition, LCD exhibited the release of danger‐associated molecular patterns from cervical cancer cells, such as the release of high‐mobility group box 1 (HMGB1), secretion of ATP, and exposure of calreticulin (CRT) on the cell surface, which led to immunogenic cell death (ICD). These results provide a novel foundation that LCD induces ICD via triggering ER stress in human cervical cancer cells. LCD might be an ICD inducer of immunotherapy in progressive cervical cancer.
Hsa_circ_0008500 inhibits apoptosis of adipose‐derived stem cells under high glucose through hsa‐miR‐1273h‐5p/ELK1 axis
Authors: Meng Fandong , Shen Fengjie , Chu Xuan , Ling Hongwei , Qiao Yun , Liu Deshan 
Published: April 2023

AbstractPreliminary researches have confirmed that the number of apoptosis of adipose tissue‐derived stem cells (ADSCs) in patients with diabetes is significantly increased, leading to a difficult healing wound. Increasing researches revealed that circular RNAs (circRNAs) can control apoptosis. However, it is still unclear whether and how circRNAs are critical for regulating ADSCs apoptosis. In this study, we utilized in vitro model in which ADSCs were cultivated with normal glucose (NG) (5.5 mM) or high glucose (HG) (25 mM) medium, respectively, and found that more apoptotic ADSCs were observed in HG medium comparing to ADSCs in NG medium. Furthermore, we found that hsa_circ_0008500 attenuated HG‐mediated ADSCs apoptosis. In addition, Hsa_circ_0008500 could directly interact with hsa‐miR‐1273h‐5p, acting as a miRNA sponge, which subsequently suppressed Ets‐like protein‐1(ELK1) expression, the downstream target of hsa‐miR‐1273h‐5p. Thus, these results indicated that targeting the hsa_circ_0008500/hsa‐miR‐1273h‐5p/ELK1 signaling pathway in ADSCs may be a potential target for repairing diabetic wounds.
The Creative Process and Social Responsibility
Authors: Liggett Susan 
Published: April 2023

AbstractCreativity can have a communal aspect when a group of people have a common goal. With the added advantage of an objective, creativity can be channeled and directed in specific directions and become centered around a focused set of ideas and principles. This can be applied to particular areas of human concern such as civic society, health and well-being, health services, rehabilitation, business regeneration, wartime resilience, and preparing for the future. Examples from these areas are presented in order to understand how creativity has been instrumental in achieving positive goals and has acted as a driver and motivator of change for individuals and communities.
Vergleich zwischen den drei kommunikativen Instanzen
Authors: Bührig-Hollmann Annette 
Published: April 2023

ZusammenfassungAuf der Grundlage der ministeriellen Vorgaben erinnern die Ergebnisse zum Konzept der Selbststeuerung des erwachsenen Lerners an die Gouvernemtalitätsebatte im Anschluss an Foucault. Mit der programmatischen Leerstelle auf der ersten kommunikativen Instanz reagieren die Ausbildungsinstitutionen einerseits mit dem Fokus auf die Rolle und Verantwortung der erwachsenen Lerner und andererseits mit der Forderung nach einer bestimmten Haltung der Ausbildenden. Mit diesen Ausbildungsprinzipien werden voraussetzungsreiche Anforderungen beschrieben, die kaum einer theoretischen Begriffsklärung Stand halten noch in der gewünschten Weise in der Ausbildungssituation nachzuweisen sind.
Soziale Positionierungen
Authors: Bührig-Hollmann Annette 
Published: April 2023

ZusammenfassungMit der Frage danach, was die UNB vor dem Hintergrund der verschiedenen kommunikativen Instanzen leistet, stellt sich im Hinblick auf die Agierenden auch die Frage nach dem Verständnis der eigenen Rolle während einer UNB. Von außen betrachtet bedeutet dies: Wie positionieren sich die Interagierenden innerhalb des Interaktionsgeschehens? Wer agiert, wer reagiert? Wer übernimmt Verantwortung für den Prozess oder seine Teile? Gibt es jemanden, der führt und wenn ja, mit welchen kommunikativen Strategien?
Information Theory on Change to Reflection
Authors: Xu Jianfeng , Wang Shuliang , Liu Zhenyu , Wang Yashi , Wang Yingfei , Dang Yingxu 
Published: April 2023

AbstractInformation reflects the existence, basic characteristics, and movement states of matter in the world. In the information society, it is difficult for human activities to leave information for the wide application of information technologies and systems bring a broad significance. Having achievements in both theory and application, information theory can be divided into the information theory on change and the information theory on reflection on the basis of cognitive perspective. In this chapter, the objective information theory (OIT) will be introduced to the background and motivation. It starts from the information theory on change. The bottleneck problems are discussed on information science, and information system. Then, the information theory on reflection is put forward. Two theories are further discriminated from the perspective of information. Finally, the monograph contents are briefed.
Measuring Objective Information
Authors: Xu Jianfeng , Wang Shuliang , Liu Zhenyu , Wang Yashi , Wang Yingfei , Dang Yingxu 
Published: April 2023

AbstractIn the context of the sextuple model, this chapter presents a metrics system with 11 indicators to measure objective information. Under the measurement, potential, and features of the set, each indicator is mathematical explored from the methodological foundations, specific definitions, and related propositions for quantitative information analysis and information systems applications.
Exemplifying Objective Information: Air Traffic Control System
Authors: Xu Jianfeng , Wang Shuliang , Liu Zhenyu , Wang Yashi , Wang Yingfei , Dang Yingxu 
Published: April 2023

AbstractAir Traffic Control System (ATCS) is a large-scale information system that spreads all over the world and is widely used (Zhang et al., Modern Air Traffic Management (in Chinese). Beijing University of Aeronautics and Astronautics Press, Beijing, 2005). Although it cannot represent the entire information system, its structure, functional composition and application methods can already reflect many basic characteristics of today’s information systems, especially large-scale information systems. In this chapter, OIT is applied to explain the behavior of ATCS for demonstrating the feasibility and practicality to investigate information systems.
Exemplifying Objective Information Theory: Smart Court
Authors: Xu Jianfeng , Wang Shuliang , Liu Zhenyu , Wang Yashi , Wang Yingfei , Dang Yingxu 
Published: April 2023

AbstractIt is a worldwide engineering challenge to develop large-scale complex information systems such as Smart Court. The nationwide construction, application and promotion of the Smart Court system-of-systems engineering project of China guarantee the upgrade and reshaping of the judicial operation pattern of Chinese people’s courts. It has gained remarkable achievements and brought China to the leading position in judicial informatization in the world. In this chapter, OIT is applied to explain the behavior of Smart Court for demonstrating the feasibility and practicality to investigate system-of-systems.
Remark on modular weights in low-energy effective field theory from type II string theory
Authors: Kikuchi Shota , Kobayashi Tatsuo , Nasu Kaito , Otsuka Hajime , Takada Shohei , Uchida Hikaru 
Published: April 2023

Abstract
We revisit the modular weights in type IIB magnetized D-brane models. The simple analysis of wave function shows that the four-dimensional matter fields have the modular weight -1/2, but it may shift as one in type IIA intersecting D-brane models. For example, the localized gauge flux as well as the localized curvature can shift the modular weight in the magnetized D-brane models. Such corrections do not affect physical couplings such as physical Yukawa couplings. However, it leads to differences in supersymmetry breaking sfermion masses, which depend on the modular weights, although the A-term coefficients and the sum of sfermion masses squared seem to be the same between two models.
Aligned fields double copy to Kerr-NUT-(A)dS
Authors: Chawla Samarth , Keeler Cynthia 
Published: April 2023

Abstract
We find Abelian gauge fields that double copy to a large class of black hole spacetimes with spherical horizon topology known as the Kerr-NUT-(A)dS family. Using a multi-Kerr-Schild prescription, we extend the previously-known double copy structure for arbitrarily rotating general dimension black holes, to include NUT charges and an arbitrary cosmological constant. In all cases, these single copy gauge fields are ‘aligned fields’, because their nonzero components align with the principal tensor which generates the Killing structure of the spacetime. In five dimensions, we additionally derive the same single-copy field strengths via the Weyl double copy procedure.
Effect of orthodontic extraction of mandibular premolars on third molar angulation after treatment with fixed appliances
Authors: Di Giovanni Tamara , Vogiatzi Theodosia , Koretsi Vasiliki , Walsh Tanya , Silikas Nick , Papageorgiou Spyridon N. 
Published: April 2023

Abstract
Purpose
Orthodontic treatment involving premolar extractions might improve the angulation of lower third molars, which are the teeth most often impacted. This study analyzes the impact of first/second lower premolar extraction during orthodontic therapy on the angulation of mandibular third molars.

Methods
A total of 120 patients treated non-extraction (n = 40), with extraction of first (n = 40), or second lower premolars (n = 40) were included. The mesiodistal angulation of lower third molars relative to the adjacent tooth and their developmental stage were evaluated from posttreatment orthopantomograms. Between-group differences were statistically evaluated at a significance level of 0.05.

Results
The orthopantomograms of 120 patients (51% female) with a median age of 15.2 years at the time of debonding were evaluated after a mean treatment duration time of 2.9 years. No difference (P > 0.05) was seen between the average angulation of the lower third molars of the right (mean = 24.4°, standard deviation [SD] 13.6°) and the left side (mean = 23.6°, SD 14.1°). No differences in the angulation of the lower third molar were found between the non-extraction and extraction groups for the right (P = 0.44) or the left side (P = 0.22). Likewise, no differences were found when comparing the first and second premolars for the right (P = 0.26) or the left side (P = 0.10). Premolar extraction was associated with an advanced root development stage of the right third molar (odds ratio 7.1; 95% confidence interval 1.1–48.1; P = 0.04), with no differences between extraction of the first or second premolar (P = 0.10).

Conclusion
Orthodontic treatment involving premolars extractions might be associated with a small acceleration in root development, but not with the angulation, of lower third molars.
Diagnosis of Small Unruptured Intracranial Aneurysms
Authors: Radojewski Piotr , Dobrocky Tomas , Branca Mattia , Almiri William , Correia Manuel , Raabe Andreas , Bervini David , Gralla Jan , Wiest Roland , Mordasini Pasquale 
Published: April 2023

Abstract
Purpose
Differentiating normal anatomical variants such as an infundibulum or a vascular loop from true intracranial aneurysms is crucial for patient management. We hypothesize that high-resolution 7 T magnetic resonance imaging (MRI) improves the detection and characterization of normal anatomical variants that may otherwise be misdiagnosed as small unruptured aneurysms.

Methods
This is a retrospective, single-center study. All patients were scanned on a clinically approved 7 T MRI scanner and on a 3 T scanner. Image analysis was performed independently by three neuroradiologists blinded to clinical information. The presence of an unruptured intracranial aneurysm (UIA) and level of diagnostic certainty were assessed and the interrater agreement was calculated. If an aneurysm was present, the anatomic location and shape were recorded and compared.

Results
In total, 53 patients with equivocal cerebrovascular findings on 1.5 T or 3 T MRI referred for a 7T MRI examination were included. Aneurysms were suspected in 42 patients examined at 3 T and in 23 patients at 7 T (rate difference 36%, 95% confidence interval, CI, 19–53%, p-value < 0.001). Major disagreement between the field strengths was observed in the A1 segment of anterior cerebral artery/anterior communicating artery (A1/ACOM) complex. The interrater agreement among the readers on the presence of an aneurysm on 7 T MRI was higher than that for 3 T MRI (0.925, 95% CI 0.866–0.983 vs. 0.786, 95% CI 0.700–0.873).

Conclusion
Our analysis demonstrates a significantly higher interrater agreement and improved diagnostic certainty when small intracranial aneurysms are visualized on 7 T MRI compared to 3 T. In a selected patient cohort, clinical implementation of 7 T MRI may help to establish the definitive diagnosis and thus have a beneficial impact on patient management.