bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the Optoelectronic Properties of 2‐D and 3‐D CaTi1−xCuxO3 as a Phosphor Materials: A Density Functional Theory Approach
Authors: Malik Naqash H. , Rafiq Qaiser , Nasir Muhammad Farooq , Azam Sikander , Khan Muhammad Tahir , Mersal Gaber A. M. , Hessien Mahmoud M. 
Published: October 2024

ABSTRACTThe CaTiO3 has been extensively investigated as a highly promising optical material mostly for its optoelectronic properties and its function as a host for transition metals doped in the CaTiO3. Electronic and optical properties of CaTi1−xCuxO3 (2‐D and 3‐D) have been thoroughly analyzed using first‐principles calculations based on Density Functional Theory (DFT). The calculations of these properties in both 2‐D and 3‐D configurations have performed by the use of generalized gradient approximation plus Hubbard (GGA + U). The electronic characteristics including the electronic band structure, partial density of states, and total density of states have been meticulously computed for CaTi1−xCuxO3 in both 2‐D and 3‐D. Upon analyzing the obtained results, we investigated that conduction and valence bands overlapped for both 2‐D and 3‐D structures revealing the metallic nature. We observed transitions mainly attributed to Cu‐d, Ti‐d, Ti‐p, and O‐p orbitals in both 2‐D and 3‐D configurations. Discussion delves into the significance of electronic band structure calculations in understanding optical properties. Peaks in the energy loss function are observed at 13 eV in both cases referred to the plasmon energy. Static values of the dielectric functions, extinction coefficient, reflectivity, and refraction are also computed. Our obtained results showed that the CaTi1−xCuxO3 compound in 3‐D form is more apt for optoelectronic devices and UV‐LED applications.
Association of abruptio placentae with hypertension in pregnancy: Analysis of risk factors in Nigerian women
Authors: Isikhuemen Maradona , Ntoimo Lorretta , Onoh Vivian , Idiagbonya Nosakhare , Orhue Michael , Okonofua Friday 
Published: October 2024

AbstractObjectiveThe incidence of abruptio placentae complicating hypertensive diseases of pregnancy is high in Nigerian referral hospitals. We conducted a retrospective case‐control study to identify the socio‐demographic, behavioural, and clinical risk factors associated with abruptio placentae in women with hypertensive diseases of pregnancy.MethodsThe 41 cases of hypertensive diseases complicated by abruptio placentae identified in the records of the University of Benin Teaching Hospital over 2 years (January 2021–December 2022) were compared with 208 women (controls) who had hypertensive diseases without developing abruptio placentae. Multiple regression analysis was used to develop maximum likelihood estimates of the adjusted odds ratios and 95% confidence intervals to predict the likelihood of the association between the exposure factors and the risk of abruptio placentae.ResultsHigh blood pressure levels at presentation, when managed, can decrease the odds for abruptio placentae by 9% OR 0.91, CI:0.83–0.9, but smoking and alcohol intake were not significantly associated with abruptio placentae. A higher haemoglobin concentration decreased the likelihood of abruptio placentae by 60% OR 0.40, (CI 0.24– 0.68), while higher birth weight babies minimally decreased the odds for abruptio placentae, OR 1.01 (CI 0.08–12.49).ConclusionWe conclude that abruptio placentae is most likely to complicate hypertensive diseases of pregnancy in Nigerian women when there are concurrent pregnancy anaemia and low birth weight babies, while higher blood pressure levels at presentation, when promptly managed, can reduce the risk of abruptio placentae. Efforts to address the concurrent management of anaemia associated with hypertensive diseases in pregnancy will most likely reduce the incidence of abruptio placentae in this population.
Interface Structure and Properties of Polypropylene/Wood Flour Composites Reinforced with Grafted Polypropylene Compatibilizer
Authors: Huang Yungang , Hong Haoqun , Zhang Haiyan 
Published: October 2024

AbstractIn this work, a new compatibilizer, ternary monomer grafted polypropylene (hereafter shorted as: G‐PP), was successfully synthesized by solid phase grafting of maleic anhydride, methyl methacrylate, and butyl‐acrylate onto polypropylene. For all developed polypropylene matrix composites, the prepared G‐PP evidently showed enhancing mechanical properties on PP/wood flour (WF) composites, which is obviously superior to those from maleic anhydride grafted polypropylene (W‐PP) and virgin polypropylene (C‐PP). In particular, the wettability of G‐PP was greatly improved, while the melting temperature and β crystal phase amounts of the WF composites with G‐PP are much higher when compared to that of W‐PP and C‐PP. This can be reasonably explained by the formation of continuous micropores and filaments in WF composites containing G‐PP, as verified by hot stage polarizing optical microscope (POM). Meanwhile, the G‐PP effectively reduced movement of molecular chains of WPC and formed a better interface layer with WF, which contributed to penetrate more deeply and form micro‐crosslinking in the WF layer. We believe that the results reported in this work will increase the added value of polypropylene based wood plastics composites (WPC) and allow WPC to participate in lightweight and environmentally friendly products.
Boosting Erosion‐Corrosion Resistance: Collaborative Ni–P Electroless Deposition on Poly‐Amino‐Alcohol@Functionalized GO Matrices
Authors: Suheal A. , Jagatheeshwaran M. S. , Sudha N. , Ramesh Pugalenthi 
Published: October 2024

AbstractIn recent years, protective coatings have become crucial in graphene‐based chemical studies. This research investigates the anticorrosive properties of coatings created by co‐depositing carbon compounds. Electroless Ni−P‐PAA@F‐GO coatings were applied to stainless steel by adding various amounts of PAA@F‐GO particles to the Ni−P bath. The coated samples were analyzed using X‐ray diffraction and micro‐hardness tests, revealing a peak hardness of 764 HV at 30 mg/L PAA@F‐GO, compared to 521 HV for standard Ni−P coatings. Corrosion performance was evaluated in a 3 % sodium chloride solution, showing that despite a higher corrosion‐erosion rate. Although the coated samples exhibited a corrosion‐erosion rate 4.7 times higher than untreated samples, the mass loss was notably more pronounced in the untreated samples. The study found that adding PAA@F‐GO particles improved corrosion resistance and durability, with optimal results at a specific particle concentration. The enhanced performance is attributed to the increased roughness, impermeability, and hydrophobicity of the functionalized graphene oxide.
ω‐Aminomethyl Longifolene Amide Derivatives: Synthesis, Crystal Structure, Hirshfeld Surface, DFT, Antimicrobial, and Molecular Docking Studies
Authors: Lu Pingping , Huang Yanqun , Huang Lanjie , Gan Yuehong , Lan Hongyun , Huang Daozhan 
Published: October 2024

AbstractTwelve novel ω‐aminomethyl longifolene amide derivatives (6 a–6 l) were synthesized and characterized. The intermolecular contacts and the relationship of structure‐property for the synthesized compounds were performed with the use of two‐dimensional fingerprint plots and Hirshfeld surface method. Moreover, the chemical reactivity and geometrical characteristics of target compounds were investigated using density functional theory (DFT) method. Molecular docking studies were performed to investigate the interactions between compounds 6 a–6 l and sortase A (SrtA) from S. aureus, the carboxy terminal domain of colicin E5 (E5‐CRD) and Serine/Threonine phosphatase Z1 (PPZ1) from C. albicans, respectively, and together with their biological activities. The docking results of the synthesized compounds 6 a–6 l showed different binding efficiencies and inhibitory effects on S. aureus, E. coli and C. albicans. Furthermore, preliminary antimicrobial activity assay showed that compounds 6 f, 6 i and 6 k exhibited comparable or superior antibacterial activity against S. aureus, B. subtilis and K. pneumoniae compared to rifampicin with minimum inhibitory concentration (MIC) values from 0.488 to 0.977 μg/mL. In addition, the absorption, distribution, metabolism and excretion (ADME) and drug‐likeness properties of the synthesized derivatives were evaluated as well.
Spots on 1H‐Indazole Incorporation into Thiazole Moiety‐Hybrid Heterocycles, Strong Efficacy as Small Molecules with Antimicrobial, Antineoplastic Activity, and In‐Silico Studies
Authors: Dawoud Nadia T. A. , El‐Gendi Hamada , Lotfy Doaa R. , El‐Fakharany Esmail M. , Abdellattif Magda H. 
Published: October 2024

AbstractAmidst the escalating cancer cases and the relentless spread of multidrug‐resistant microbes, the urgency for effective medication is undeniable. In this context, our lab's continuous efforts have led to a promising discovery. We have conducted an extensive study on a series of new heterocycles with an indazolylthiazole component, which holds great promise as antimicrobial and anticancer drugs. The bioactivity tests, conducted with meticulous methodology, have demonstrated that the synthesized compounds possess remarkable antibacterial activity against various pathogenic strains. In a controlled lab setting, we have observed that derivatives 9, 11, and 12a effectively induce apoptosis in HCT‐166 and Huh‐7 (liver carcinoma) cell lines. Among these, derivative 11 has shown the highest selectivity (SI=14.54±1.2 and 16.51±1.4) and the lowest IC50 value. These compounds also exhibit broad‐spectrum antimicrobial activity. The anticancer activity of the synthesized compounds has been computationally confirmed through molecular modeling using MOE software and pharmacokinetic studies. Most of the tested compounds have shown significant cytotoxic activity against tumor cell lines, with high safety against normal human cells, thereby paving the way for a hopeful and promising future of antimicrobial and anticancer drugs, with potential applications in [specific_application_1] and [specific_application_2].
Ascorbic Acid: An Efficient Organocatalyst for the Synthesis of 2‐Amino‐1,3,4‐oxadiazoles and Thiadiazoles via C−X Bond Formation
Authors: Bhattacharjee Saptadwipa , Basak Puja , Ghosh Pranab 
Published: October 2024

AbstractA new protocol for the synthesis of 2‐amino‐substituted 1,3,4‐oxadiazoles and 1,3,4‐thiadiazoles, were developed using semicarbazide or thiosemicarbazide along with the various aldehydes, followed by C−X (X=O, S) bond formation using ascorbic acid as a catalyst. This rapid, efficient, accessible, and robust/scalable sequential synthesis works with aromatic, aliphatic, and cinnamic aldehydes to provide a wide range of diazole derivatives with a 2‐amino substituent without the use of any transition metals. The synthesised molecules were characterised by 1H and 13C NMR analysis.
A Green's Function Wind Turbine Induction Model That Incorporates Complex Inflow Conditions
Authors: Cheung Lawrence , Brown Kenneth , Sakievich Philip , deVelder Nathaniel , Herges Thomas , Houck Daniel , Hsieh Alan 
Published: October 2024

ABSTRACTIn this work, we develop a new analytical turbine induction model that can incorporate complex inflow conditions including cases where the wind velocity and temperature profiles can vary as functions of height. This induction model is derived from the linearized Navier–Stokes and leads to a second‐order ODE that can be solved using a Green's function formulation. The corresponding Green's function for several configurations are found including the infinite domain, semi‐infinite domain with ground plane, and a power law velocity inflow profile. The results of this approach are then compared with simulations of the turbine induction field using the AMR‐Wind CFD solver with a uniformly loaded actuator disk model. These comparisons show that the Green's function approach captures the centerline blockage, three‐dimensional blockage flow field, and streamwise velocity slow down, with very good agreement for lower thrust conditions and at larger distances away from rotor disk. The effects of shear on the turbine blockage were also compared using a power law inflow profile, and we show that this approach matches the CFD predictions for the cases considered.
Mr Fusion or Johnny 5? Visual Rhetoric of AI Design
Authors: Medley Stuart , Jung Jo 
Published: October 2024

AbstractThis chapter explores what artificial intelligence (AI) intellectual property (IP) owners do in their promotional material to negotiate public distrust of AI. A separation can be observed between the aesthetics and ethics of digital product design where simplified visual design appears to mask the complexity of AI-enabled devices, and systems. These observations can apply to the graphic design and corporate verbal rhetoric surrounding AI-enabled products. In this chapter, AI visual rhetoric is compared to science fiction aesthetics. Examples of masking complexity are described as visual echoes of the ‘Mr Fusion’ design from Back to the Future, while the few AI designs which declare their complexity more openly are described as reflecting ‘Johnny 5’s’ design from Short Circuit. The authors delve into the nexus between the user experience (UX) of autonomous technology, its communication design, and the visual aesthetics used in its promotion as an emerging force.
Co-worker, Butler, or Coach? Designing Automation for Work Enrichment
Authors: Roto Virpi 
Published: October 2024

AbstractIn the ongoing industrial revolution, AI-powered automation systems arrive at workplaces, taking over many tasks and even entire jobs. To avoid the dystopias of this development, the 5th Industrial Revolution must focus on a human-centered future of work. This is not possible by only focusing on technology, but we also need to develop human-centered design approaches for the AI era. This chapter introduces three levels of work enrichment design to enrich potentially monotonous work with highly automated systems. The first level aims to ensure decent work and a feeling of achievement for employees working with AI co-workers. The second level makes work more motivating with automation that fulfills employees’ basic psychological needs like a butler. The third level of automation design coaches employees to flourish and live a good life. The chapter contributes both to science and practice by introducing the concept of work enrichment and a related framework.
Moving Spaces—The Affective Embodied Self in Tram Design and the Autonomous Imaginary
Authors: Alanen Hanna-Kaisa , Rousi Rebekah 
Published: October 2024

AbstractThis chapter presents the results of a case study on a new transportation system built in the city of Tampere, Finland, ushering in a contemporary tramway era into the city geared towards an autonomous future. The study aimed to understand the embodied experience of tram users in the context of transformation and to utilise universal fashion as a frame to enhance the understanding of the multifaceted dimensions (emotional, social) of this experience within the socio-technological context via embracing symbolic interactionism. Thematic interviews, consisting of two consecutive parts, were conducted with 30 participants. The results shed light on three aspects: 1) socio-cultural dynamics (cultural processes); 2) tangible and intangible systems of signification (expressions); and 3) multisensory experiences. The study shows that people’s interactive experiences of technology are embedded in a particular socio-material, cultural, or historical moment, a collective spirit of the times in relation to fashion-based temporality.
Human-Technology Symbiosis in Service: Insights from Dual-Process Theory
Authors: Findsrud Rolf , Tronvoll Bård 
Published: October 2024

AbstractAdvanced technologies, such as artificial intelligence (AI) and robotics, are anticipated to profoundly affect economies and the labor market. This calls for a new understanding of human–technology symbiosis in which the division of work between technology and humans utilize the strengths of one while compensating for the limitations of the other. This chapter investigates the outcomes of two different modes of processing: (1) controlled, i.e. associated with logical reasoning and a reflective way of thinking; and (2) automated, i.e. characterized by high capacity and low effort requirements. By relating dual-process theories to robotization and AI in service, this chapter contributes a framework that categorizes the strengths of humans and technology. The chapter contributes by aiding firms to address challenges associated with implementing advanced technology.
Smart Home Technologies: Convenience and Control
Authors: Ehrenberg Nils 
Published: October 2024

AbstractThe technologies of the smart home are often marketed as offering control, comfort and convenience in our living spaces by extending our control of our environment so that it no longer requires our physical presence beyond our body and physical presence. This control is not without ethical challenges: who gains control, who gets to participate in the design of the smart home and what are the consequences? Using a Foucauldian lens, this chapter looks at privately owned homes and modern co-living solutions in order to consider how smart technologies affect the autonomy of smart home residents. Smart homes can be considered panopticons of convenience through the acceptance of added surveillance for the benefit of perceived or actual convenience in the form of less or lighter domestic labour, which actively disempowers passive smart home residents.
Environmental and inflammatory factors influencing concurrent gut and lung inflammation
Authors: Raftery April L. , Pattaroni Céline , Harris Nicola L. , Tsantikos Evelyn , Hibbs Margaret L. 
Published: October 2024

Abstract
Background
Crohn’s disease and chronic obstructive pulmonary disease (COPD) are chronic inflammatory diseases that affect the gut and lung respectively and can occur comorbidly.

Methods
Using the SHIP-1−/− model of Crohn’s-like ileitis and chronic lung inflammation, the two diseases were co-investigated.

Results
Contrary to prior literature, Crohn’s-like ileitis was not fully penetrant in SHIP-1−/− mice, and housing in a specific pathogen-free facility was completely protective. Indeed, ileal tissue from SHIP-1−/− mice without overt ileitis was similar to control ilea. However, SHIP-1−/− mice with ileitis exhibited increased granulocytes in ileal tissue together with T cell lymphopenia and they lacked low abundance Bifidobacteria, suggesting this bacterium protects against ileitis. Lung disease, as defined by inflammation in lung washes, emphysema, and lung consolidation, was present in SHIP-1−/− mice regardless of ileitis phenotype; however, there was a shift in the nature of lung inflammation in animals with ileitis, with increased G-CSF and neutrophils, in addition to type 2 cytokines and eosinophils. Deficiency of G-CSF, which protects against lung disease, protected against the development of ileitis in SHIP-1−/− mice.

Conclusions
These studies have defined environmental, immune, and inflammatory factors that predispose to ileitis, and have identified that comorbid lung disease correlates with a granulocyte signature.
Evaluation der Krankenhausalarm- und -einsatzplanung anhand einer Übung eines Massenanfalls von Verletzten
Authors: Speicher Chris , Wurmb Thomas , Schwarzmann Gerhard , Zech Christian , Jansen Hendrik , Weismann Dirk , Anger Friedrich , Paul Mila , Münch Andreas , Ohr Martina , Meybohm Patrick , Kippnich Maximilian 
Published: October 2024

Zusammenfassung
Hintergrund
Die Krankenhausalarm- und -einsatzplanung (KAEP) stellt für Krankenhäuser ein wichtiges Werkzeug zur Bewältigung eines Massenanfalls von Verletzten (MANV) dar. Krankenhäuser sind vom Gesetzgeber dazu verpflichtet, eine KAEP zu etablieren und zu schulen. MANV-Übungen eigenen sich als Trainingsinstrument für Mitarbeiter und zur Evaluierung der bestehenden Strukturen. Die KAEP des Universitätsklinikums Würzburg (UKW) wurde im Rahmen einer MANV-Übung anhand zuvor definierter Übungsziele evaluiert.

Methoden
Im Rahmen einer groß angelegten MANV-Übung wurden die Abläufe gemäß MANV-Plan des UKW geübt. Dabei wurden als Übungsziele die Überprüfung von Führungsstruktur, Personaleinsatz, Raumordnung, Sichtung, Patientenfluss und Kommunikation festgelegt. Es wurden vorab mehrere Übungsziele definiert. Das Erreichen der Übungsziele wurde anhand eines anonymisierten Fragebogens ausgewertet.

Ergebnisse
Die KAEP des UKW ist grundsätzlich gut geeignet, einen MANV zu bewältigen, wenn adäquat geschult und trainiert wurde. Optimierungsbedarf zeigte sich v. a. bei der Kommunikationsstruktur, den Zuständigkeiten in den Behandlungsbereichen sowie der Kenntnis der Mitarbeiter über die vorhandenen Alarm- und Einsatzpläne und der vorgehaltenen Materialien.

Diskussion
MANV-Übungen sind gut geeignet, die KAEP zu evaluieren. Das Vorhandensein einer klaren Führungs- und Kommunikationsstruktur stellt ein kritisches und erfolgsentscheidendes Element dar. Gute Kenntnisse über die vorgehaltenen Materialien, die Inhalte der KAEP und eine konsequente Anwendung der im MANV-Plan festgelegten Prozesse sind essenziell für einen koordinierten Ablauf des Einsatzgeschehens. Dies kann durch regelmäßige und verpflichtende Schulungen und Trainings erreicht werden.
Upper Bound for the Ground State Energy of a Dilute Bose Gas of Hard Spheres
Authors: Basti Giulia , Cenatiempo Serena , Giuliani Alessandro , Olgiati Alessandro , Pasqualetti Giulio , Schlein Benjamin 
Published: October 2024

AbstractWe consider a gas of bosons interacting through a hard-sphere potential with radius $$\mathfrak {a}$$
a
in the thermodynamic limit. We derive an upper bound for the ground state energy per particle at low density. Our bound captures the leading term $$4\pi \rho \mathfrak {a}$$

4
π
ρ
a

and shows that corrections are smaller than $$C \rho \mathfrak {a} (\rho {{\mathfrak {a}}}^3)^{1/2}$$

C
ρ
a

(
ρ

a

3

)

1
/
2

, for a sufficiently large constant $$C > 0$$

C
>
0

. In combination with a known lower bound, our result implies that the first sub-leading term to the ground state energy of a dilute gas of hard spheres is, in fact, of the order $$\rho \mathfrak {a}(\rho {{\mathfrak {a}}}^3)^{1/2}$$

ρ
a

(
ρ

a

3

)

1
/
2

, in agreement with the Lee–Huang–Yang prediction.
A Kummer construction for Chern–Ricci flat balanced manifolds
Authors: Giusti Federico , Spotti Cristiano 
Published: October 2024

AbstractGiven a non-Kähler Calabi–Yau compact orbifold with isolated singularities endowed with a Chern–Ricci flat balanced metric, we study, via a gluing construction, the existence of Chern–Ricci flat balanced metrics on its crepant resolutions, and discuss applications to the search of solutions for the Hull–Strominger system. We also describe the scenario of singular threefolds with ordinary double points, and see that similarly is possible to obtain balanced approximately Chern–Ricci flat metrics.