bluuebunny/crossref_metadata_2025 huggingface dataset:
Discovery of a New Isatin Scaffold for BCR‐ABL Tyrosine Kinase Inhibitors Using a Comprehensive Computational Approach
Authors: EL Mchichi Larbi , Alaqarbeh Marwa , Lakhlifi Tahar , Bouachrine Mohammed
Published: November 2024

Inserting Isatin (1H indole 2,3‐dione) stands out as an exceptionally captivating element in the realm of drug design and development. Hence, there has been a notable focus in numerous anticancer studies on investigating the potential of various derivatives of Isatin (1H indole 2,3‐dione), including imines, hydrazones, thiosemicarbazones, and other compounds. Therefore, to develop new compounds with anticipated high activity, a novel series of 40 Isatin derivatives have undergone 3D‐QSAR studies as potent anticancer agents against the leukemia cell line (K562). This approach has been pursued due to the significant importance placed on exploring the potential of these derivatives. Through the analysis of graphical contour maps, the generated models yielded favorable statistical outcomes and provided valuable insights into the structural elements that exert a significant influence on the activity. Furthermore, both CoMFA and CoMSIA models have shown suitable reliabilities (q2  =  0.689, 0.772, respectively) and predictive abilities (r2pred  =  0.780, 0.892, respectively). As a result, the design of five new compounds (T1–T5) based on the Isatin moiety, which exhibited remarkable inhibitory activity, has successfully been accomplished. Accordingly, molecular docking and molecular dynamics (MD) simulations of 100 ns have been utilized to examine the interaction mechanism and conformational changes of the newly designed compounds at the binding site of BCR‐ABL tyrosine kinase. MD simulation revealed that both compounds T1 and T2 formed stable complexes with BCR‐ABL. Additionally, the assessment of the in‐silico pharmacokinetic parameters indicates favorable ADMET properties. These findings hold promise for the future development of potent BCR‐ABL tyrosine kinase inhibitors.
Green‐Synthesized SnO2 Derived From Kombucha Tea and Assessment of Its Photocatalytic Activity for the Degradation of Procion Red MX‐5B
Authors: Haste Zeynep Özserçe , Horoz Sabit , Orak Ceren , Biçer Emre
Published: November 2024

This study introduces a green synthesis approach for producing tin dioxide (SnO2) nanoparticles (NPs) using Kombucha tea and evaluates their photocatalytic effectiveness in degrading the Procion Red MX‐5B (PR) dye. Characterization techniques, including UV–vis, FTIR, XRD, and TEM, confirmed the successful synthesis of SnO2 NPs with appropriate optical and structural properties. For instance; the absorption peak at 526 cm−1 in FT‐IR diagram is attributed to Sn–O which indicates the successful synthesis of SnO2. Photocatalytic tests under optimized conditions showed a notable degradation efficiency of PR dye, with the highest observed degradation efficiency reaching 97.60% at a catalyst loading of 30 mg, pH 6, in 90 min. A kinetic study was performed and the PR degradation followed first‐order reaction kinetics. For this process, the reaction kinetic rate constants were found to be 0.0589, 0.078, 0.1367, and 0.1389 min−1 for 25, 35, 45, and 55 °C, respectively. Moreover, the activation energy for the degradation process was calculated to be 25.75 kJ/mol, indicating a chemisorption mechanism. The reusability of SnO2 NPs was tested and after five subsequent usages, it still showed high degradation efficiency (95.7%). These results demonstrate the potential of Kombucha‐derived SnO2 nanoparticles as an efficient, low‐cost, reusable, and environmentally friendly photocatalyst for wastewater treatment applications.
Azole Derivatives: Cutting‐Edge Agents in Cancer Therapy
Authors: Mehra Anuradha , Mittal Amit , Sangwan Rekha
Published: November 2024

Monocyclic 5‐membered heterocycles including imidazoles, thiazoles, oxazoles, and their related compounds have gained significant attention in medicinal chemistry because of their potent anticancerous activity. These small heterocyclic molecules possess versatile properties, including biological activity, absorption, distribution, metabolism, excretion, and chemical diversity that give them immense potential as anticancer agents. It is also a fact that inherent characteristic of azoles to combine with many biological molecules through hydrogen bond, stacking, and hydrophobic interaction makes them effective against almost all cancer types. In the present paper the author discusses the way which is connected with chemical structure of monocyclic azoles and their anticancer activity namely the ability of these compounds to intercalate with DNA, to inhibit some enzymes and to interfere cellular signaling pathways. Interestingly, several azole derivatives have been seen to be effective in preclinical efficacy studies as well as in clinical trials and are considered to be potent in overcoming the problem of resistance and side effects of the common anticancer agents. As the synthetic chemistry progresses, the structural system of the azoles has diversified and development in the pharmacology has become more specific. This has helped in enhancing the formation of new molecules in the azole class with improved selectivity and efficacy. Furthermore, the comprehensive review explains how computational chemistry and structure‐activity relationship (SAR) approaches are applied to the design of future‐generation azole compounds. In light of these facts, this article is designed to give a broad overview of the current state of monocyclic azole‐based anticancer agents in an attempt to further assert its therapeutic promise and spur further attempts at infusing the said agents into the cancer therapeutics fray. The discoveries made in this study may allow the development the radical different therapeutic approaches, which could lead to improved and targeted treatment of cancer.
Design, Synthesis, and Docking Study of Potentially Active Antimicrobial Pyrazolo[1,5‐a]pyrimidine Derivatives
Authors: Mahmoud Mohamed G. A. , Fadda Ahmed A. , Selim Yasser A. , El‐Sawy Eslam R. , El‐Hadidy Sherihan A.
Published: November 2024

Compound 4,4′‐(1,4‐phenylenebis(thiazole‐4,2‐diyl))bis(1H‐pyrazol‐5‐amine) (5) was used in the preparation of novel pyrazolo[1,5‐a]pyrimidines incorporating a thiazole moiety (6, 7b, 8, 9, and 13–18). the reactions were described via the following reactions: acetylacetone, acetanilide, diethyl malonate, ethyl cyanoacetate, 3‐(dimethylamino)‐1‐phenylprop‐2‐en‐1‐one, 2‐((dimethylamino)methylene)‐3‐oxopentane‐nitrile, 3‐(dimethylamino)‐1‐(thiophen‐3‐yl)prop‐2‐en‐1‐one, 2‐((dimethylamino)methylene)‐5,5‐dimethylcyclo‐hexane‐1,3‐dione, dimethylformamide‐dimethylacetal, and with a mixture of p‐nitro benzaldehyde/cyclohexanone, respectively. Gram‐positive bacteria B. subtilis and B. thuringiensis, as well as Gram‐negative bacteria E. coli and P. aeruginosa, were tested for the newly synthesized compounds' in vitro antibacterial activity. Their in vitro antifungal activity against fungus strains B. Fabae and F. oxysporum was also assessed. The compounds 16–18 had the strongest activity against Gram‐positive bacteria, with MIC values = 3.125 µg/mL against B. subtilis, which is equipotent to the drug reference Chloramphenicol, and MIC values = 6.25 µg/mL against B. thuringiensis, which is equipotent to the drug reference Cephalothin. Compounds (13–18) were shown to be superimposable to CNB based on their docking results, with the exception of derivative 18. Furthermore, they demonstrated a strong binding mode with DNA gyrase B's active pocket (PDB: 1KZN) by forming several contacts with the enzyme's essential amino acids in a way that was comparable to CNB.
Highly Active Oxygen Evolution Reaction of NiMoO4 Sub‐1 nm Nanowires Boosts Luminol Electrochemiluminescence
Authors: Zang Hao , Wang Dong Mei , Dai Wen Jie , Chen Lin , Wang Yi Ting , Wang Qiang , Wang Qi , Chen Gao Xu , Li Jia Jia , Xie Jia Li , Zou Hong Yan , Huang Cheng Zhi , Li Yuan Fang , Zhen Shu Jun
Published: November 2024

In recent years, there has been an increasing research focus on the luminol–H2O electrochemiluminescence (ECL) system due to its ability to address the instability and toxicity of H2O2, which are common issues associated with the conventional luminol–H2O2 ECL system. To enhance the ECL efficiency of the luminol–H2O system, researchers have developed electrocatalytic materials with exceptional oxygen evolution reaction (OER) properties to facilitate water electrolysis into O2 to produce reactive oxygen species (ROS) and act as co‐reactant promoters. However, most of these materials are characterized by their nanoscale or microscale dimensions, resulting in relatively large sizes and low specific surface areas, which hinder the application of the luminol–H2O system. To address this challenge, nickel molybdate sub‐1 nm nanowires (NiMoO4 S1 NWs) with a large specific surface area is synthesized that can offer many active sites to enhance the performance of the OER to boost the ECL of luminol. This study demonstrates that the large amount of ROS generated by the OER of NiMoO4 S1 NWs play a crucial role in enhancing the ECL intensity of luminol. Finally, a NiMoO4 S1 NWs‐based ECL biosensor for the highly sensitive detection of the nucleocapsid proteins of SARS‐CoV‐2 is successfully constructed.
Nickel Vanadate Cathode Induced In Situ Phase Transition for Improved Zinc Storage by Low Migration Barrier and Zn2+/H+ Co‐Insertion Mechanism
Authors: Bandi Hari , Kakarla Ashok Kumar , Dahule Rohit , Maezono Ryo , Narsimulu D. , Shanthappa R. , Yu Jae Su
Published: November 2024

Designing cathode materials that exhibit excellent rate performance and extended cycle life is crucial for the commercial viability of aqueous zinc (Zn)‐ion batteries (ZIBs). This report presents a hydrothermal synthesis of stable Ni0.22V2O5·1.22H2O (NVOH) cathode material, demonstrating high‐rate performance and extended cycle life. A successful in situ phase transformation yields Zn3(OH)2V2O7·nH2O (ZVO), which undergoes an irreversible phase transition and exhibits exceptional energy storage properties. The procedure maintains the lattice structure of ZVO and ensures high structural stability throughout the phase transformation. The NVOH cathode material exhibits the discharge capacities of 399 mA h g−1 at a rate of 1 A g−1 after 400 cycles and 303 mA h g−1 at 10 A g−1 after 2000 cycles. Density functional theory calculations indicate that the material is protected by electrostatic forces and exhibits structural stability, with a Zn‐ion migration barrier of 0.32 eV across the host lattice and the electrode–electrolyte interface. Due to these properties, NVOH also exhibits high energy/power densities of 395 Wh kg−1/406 W kg−1 at 0.5 A g−1 and 288 Wh kg−1/8830 W kg−1 at 10 A g−1. Ex situ characterizations indicate structural modifications and irreversible phase changes of NVOH, highlighting the potential of H+ intercalation and in situ phase transitions for high‐performance aqueous ZIBs.
Photoresponsive tetracoordinate arylboron smart molecules: Strategies for molecular design and photoresponse mechanisms
Authors: Wang Jinjin , Li Mengzhen , Gao Haoyu , Xie Lixia , Zheng Xin , Liu Guoxing , Wu Tianjing , Lin Lu , Liu Lijie
Published: November 2024

Photoresponsive smart materials, which exhibit swift or instantaneous responses to external light stimuli, are pivotal for advancing the development of novel smart devices. Among these materials, photoresponsive tetracoordinate arylboron compounds emerge as prominent molecular systems, owing to their captivating photochemical mechanisms and photophysical transformations. In recent years, these molecules have experienced notable progress, leading to the emergence of numerous organic boron photoresponsive molecular systems with innovative structures and exceptional performance. In this comprehensive review, we present a thorough examination of the latest advancements in the field, systematically elucidating the design strategies and structure‐activity relationships of these molecules. Furthermore, we delve into the photoresponse mechanisms of various molecules and summarize their unique characteristics. Ultimately, we analyze the challenges, opportunities, and prospects encountered in this exciting field of research.
Light‐Emitting Perovskite Solar Cells: Genesis to Recent Drifts
Authors: Shah Syed Afaq Ali , Sayyad Muhammad Hassan , Guo Zhongyi
Published: November 2024

Perovskite, a star material with extraordinary opto‐electronic properties has shown promising results in both perovskite solar cells (PSCs) and perovskite light‐emitting diodes (PeLEDs). Taking advantage of the similar configuration of PSCs and PeLEDs, next generation devices with dual functionality of light‐harvesting and light‐emission can be realized. Such devices hold enormous application prospects. However, the necessary tradeoff resulted from the opposite working principles required for each mode of operation and challenges such as non‐radiative recombination loss resulted from bulk and surface defects in perovskite films and mismatched energy levels have hindered mass production. To provide a roadmap for rationally designing efficient light emitting perovskite solar cells (LEPSCs), a comprehensive review focusing on operating principle, device architecture, recent developments and limitations is required. We begin with a brief overview of the basic principles underlying the working mechanism of LEPSCs such as photon to electricity conversion and viceversa. The focus of this review then shift towards deligently combining and overviewing the important breakthroughs reported in this newly developed field such as morphology optimization, defect passivation, interface engineering, energy level alignment and dimensional control. Finally, this work concludes with discussing future challenges and providing a roadmap for rational design of efficient and stable LEPSCs.
Coupled Polymethine Dyes: Six Decades of Discoveries
Authors: Mourot Benjamin , Jacquemin Denis , Siri Olivier , Pascal Simon
Published: November 2024

This review provides a comprehensive examination of the applications of the seminal coupling principle introduced by Siegfried Dähne and Dieter Leupold in 1966. Their heuristic and groundbreaking work proposed that combining multiple polymethine subunits within a single chromophore enables orbital coupling, consequently narrowing the HOMO–LUMO gap, and yielding redshifted optical properties. These outcomes are particularly valuable for developing organic dyes tailored for visible‐to‐near‐infrared applications. Despite their potential, coupled polymethines remain relatively underexplored, with most reported instances being serendipitous discoveries over the last six decades. In light of this, our review compiles and discusses the reported coupled polymethine structures, covering synthetic, spectroscopic, theoretical and applicative aspects, offering insights into the structure‐property relationships of this unique class of dyes and perspectives for their future applications.
A Review of Generalized Linear Latent Variable Models and Related Computational Approaches
Authors: Korhonen Pekka , Nordhausen Klaus , Taskinen Sara
Published: November 2024

Generalized linear latent variable models (GLLVMs) have become mainstream models in this analysis of correlated, m‐dimensional data. GLLVMs can be seen as a reduced‐rank version of generalized linear mixed models (GLMMs) as the latent variables which are of dimension induce a reduced‐rank covariance structure for the model. Models are flexible and can be used for various purposes, including exploratory analysis, that is, ordination analysis, estimating patterns of residual correlation, multivariate inference about measured predictors, and prediction. Recent advances in computational tools allow the development of efficient, scalable algorithms for fitting GLLMVs for any response distribution. In this article, we discuss the basics of GLLVMs and review some options for model fitting. We focus on methods that are based on likelihood inference. The implementations available in R are compared via simulation studies and an example illustrates how GLLVMs can be applied as an exploratory tool in the analysis of data from community ecology.
Patients with symptomatic cholelithiasis at a safety net hospital: Early surgeon involvement matters
Authors: Guliani Jasmine , Bartelson Rachel I. , Eraky Fareeda , Mehra Shyamin , Glass Nina E. , Narula Nisha
Published: November 2024

Background

Gallstones are a common diagnosis in the United States; though many patients remain asymptomatic, others develop symptoms. Standard of care for symptomatic cholelithiasis is cholecystectomy, but many do not undergo surgery. The purpose of this study is to identify factors that influence receipt of cholecystectomy for symptomatic cholelithiasis at a safety net hospital.

Methods

This is a retrospective study performed at a large, academic, tertiary care and safety net state hospital. Patients who presented with symptomatic cholelithiasis were included. Same admission cholecystectomy and elective outpatient cholecystectomy were considered success/standard of care, and readmission cholecystectomy or no cholecystectomy were considered failures/not standard of care.

Results

Of 376 patients, a substantial minority were Spanish speaking, and almost half had public insurance. 23.7% were successfully treated, and 76.3% had failure in management. A larger number of patients in the group that had successful treatment had surgery consultation, 67.4%. Only 28.5% of patients saw a surgeon as an outpatient within 30 days of their visit. On multivariable analysis, patients who were provided a surgery consultation were more likely to receive standard of care. Age, sex, language, smoking status, lack of insurance, and alcohol use were not associated.

Conclusion

Surgery consultation during presentation for symptomatic cholelithiasis was associated with receipt of same admission, or outpatient elective cholecystectomy, or successful management. There should be a low threshold to involve a surgeon for symptomatic cholelithiasis.
Uranyl‐Nickel(II) Cation‐Cation Interaction in a Triperiodic Framework with cis‐1,2‐Cyclohexanedicarboxylate and Isonicotinate Ligands
Authors: Thuéry Pierre , Atoini Youssef , Harrowfield Jack
Published: November 2024

Uranyl and nickel(II) nitrates have been reacted with cis‐1,2‐cyclohexanedicarboxylic (H2chdc) and isonicotinic (H‐int) acids under solvo‐hydrothermal conditions, giving the heterometallic, mixed‐ligand complex [(UO2)2Ni(chdc)2(int)2]⋅CH3CN (1). The uranyl cation is bound to carboxylate groups of both ligands while NiII is attached to two carboxylate and two nitrogen donors, with two strong additional interactions with uranyl oxo groups giving a nearly regular octahedral environment. The short Ni−O(oxo) bond length of 2.114(3) Å amounts to 67 % of the sum of van der Waals radii. The trimetallic (UO2)2Ni6+ clusters thus formed are assembled by chdc2− ligands into linear chains which are further bridged by int− links to give a triperiodic framework with the dia topology, in which small channels encompass two rows of acetonitrile solvent molecules. Complex 1 does not display uranyl luminescence under excitation in the solid state.
Schwinger vs Coleman: Magnetic charge renormalization
Authors: Newey Joshua , Terning John , Verhaaren Christopher B.
Published: November 2024

Abstract

The kinetic mixing of two U(1) gauge theories can result in a massless photon that has perturbative couplings to both electric and magnetic charges. This framework can be used to perturbatively calculate in a quantum field theory with both kinds of charge. Here we reexamine the running of the magnetic charge, where the calculations of Schwinger and Coleman sharply disagree. We calculate the running of both electric and magnetic couplings and show that the disagreement between Schwinger and Coleman is due to an incomplete summation of topological terms in the perturbation series. We present a momentum space prescription for calculating the loop corrections in which the topological terms can be systematically separated for resummation. Somewhat in the spirit of modern amplitude methods we avoid using a vector potential and use the field strength itself, thereby trading gauge redundancy for the geometric redundancy of Stokes surfaces. The resulting running of the couplings demonstrates that Dirac charge quantization is independent of renormalization scale, as Coleman predicted. As a simple application we also bound the parameter space of magnetically charged states through the experimental measurement of the running of electromagnetic coupling.
Operator exposure and cabin protection in plant protection product application
Authors: Molnar Gabor , Ahrens Katrin , Wegener Jens Karl , Dittmar Sebastian , Peter Enrico , Martin Sabine , Schäckermann Jan-Niklas , Röver Markus
Published: November 2024

Tightly sealed driver's cabs can effectively protect the user from exposure when applying crop protection products. Therefore, under certain conditions, users in such cabins can avoid wearing personal protective equipment for skin and eyes. The protective effect depends on the technical design and handling of the different cabin types and can be divided into categories with different levels of protection. Since the level of protection of the different types of cabins and the associated possibility of not wearing personal protective equipment has not been sufficiently scientifically verified in the past, the present study was carried out to close this gap. Field and laboratory test methods were developed and used to assess exposure levels. External contamination of the cabin was measured using various dosimeters. Exposure inside the cabins was measured on coveralls and gloves to measure dermal exposure and with aerosol sampling pumps to determine inhalation exposure. Tests were conducted on tractors with different cab categories using an air-assisted orchard sprayer as a worst-case scenario for exposure to spray drift. Additionally, an alternative laboratory test method was developed and conducted to evaluate filter efficiency under controlled conditions and compare it with the field tests. The results showed that exposure inside closed cabins was generally low and was not notably correlated with the cabin category. All types of cabins tested were found to provide significant protection from dermal and inhalation exposure.
Some results on variations on the norm of finite groups
Authors: Lewis Mark L. , Shen Zhencai , Yan Quanfu
Published: November 2024

Let G be a finite group and

$$N_{\Omega }(G)$$

N
Ω

(
G
)

be the intersection of the normalizers of all subgroups belonging to the set

$$\Omega (G),$$

Ω
(
G
)
,

where

$$\Omega (G)$$

Ω
(
G
)

is a set of all subgroups of G which have some theoretical group property. In this paper, we show that

$$N_{\Omega }(G)= Z_{\infty }(G)$$

N
Ω

(
G
)

=

Z
∞

(
G
)

if

$$\Omega (G)$$

Ω
(
G
)

is one of the following: (i) the set of all self-normalizing subgroups of G; (ii) the set of all subgroups of G satisfying the subnormalizer condition in G; (iii) the set of all pronormal subgroups of G; (iv) the set of all weakly normal subgroups of G; (v) the set of all NE-subgroups of G.
Innovative high-strength screw connections for additive manufactured thermoplastic components
Authors: Fürst Thomas , Göhlich Dietmar
Published: November 2024

Components that are additively manufactured by material extrusion (MEX) are exposed to complex challenges due to their layered structure. Anisotropy and the risk of delamination must be given special consideration, especially when they are exposed to high loads. In case high-loaded components have additionally to be connected to other parts or assemblies via screw connections, the connection area in the MEX-manufactured component is a limiting factor for usability. This article presents a novel method in which a preheated metallic threaded sleeve with internal and external threads is inserted into the component in order to create a high-strength threaded anchoring. This prevents pre-damage such as delamination in advance. As part of preliminary investigations, a selection of relevant parameters was first made. An open parameter test rig was developed with which the threaded sleeves could be applied into test specimens with high repeat accuracy. The effectiveness and the increase in the achievable pull-out forces were demonstrated by means of pull-out tests. It was also shown that the heat input via the outer thread flanks during application has a positive influence on the overall strength of the component.
Implementation of Robotic-Assisted Sacrocervicopexy for Apical Organ Prolapse Using the Semitendinosus Tendon—Pilot Study and Analysis of Clinical Outcome
Authors: Schröder Carolin , Lukannek Charlotte , Egger Eva K. , Otten Lucia A. , Mustea Alexander , Koensgen Dominique
Published: November 2024

Introduction and Hypothesis

This video demonstrates a robotic-assisted sacrocervicopexy using the semitendinosus tendon.

Methods

Between June 2022 and February 2023, we performed the worldwide first Da Vinci robotic-assisted sacrocervicopexies (SCP) for apical organ prolapse using the semitendinosus tendon of the left knee. Analysis of safety, feasibility, and clinical outcome of the first ten patients operated on using this new surgical technique included the German pelvic floor questionnaire (GPFQ) as well as a clinical examination.

Results

Ten patients with a follow-up of 12 months were included. There was a significant reduction of the patient’s symptoms according to the GPFQ regarding the domain bladder (preoperatively versus 3 months postoperatively, mean 3.85 vs 1.61, p = 0.034), total score (preoperatively versus 3 months postoperatively, mean 12.79 vs 3.28, p = 0.034), and descensus symptoms (preoperatively versus 12 months postoperatively, mean 4.74 vs 0.67, p = 0.022). POP-Q stage (point C) was significantly reduced between the preoperative period and at the time of discharge (mean 2.2 vs 0, p = 0.004). No serious intra- and postoperative complications occurred.

Conclusions

This pilot study showed satisfying clinical outcomes after a follow-up of 12 months, with a low mid-term complication rate.
Dynamics of area-preserving curvature flow of convex plane curves with small area in an inhomogeneous medium
Authors: Ninomiya Hirokazu
Published: November 2024

In 1986, Gage studied area-preserving curvature flows in a two-dimensional homogeneous medium and proved that an initially convex closed curve remains convex and converges to a circle as time approaches infinity. However, a medium may not be homogeneous in many applications such as cell motility and motions of active matters. Therefore, this work introduces an area-preserving curvature flow in an inhomogeneous medium, which is a natural extension of an inhomogeneous medium. Through this extension, a closed curve numerically moves towards the higher medium by the flow. To show this fact, the case is considered in which the area enclosed by the closed curve is small. In this situation, it is shown that the dynamics of its center is approximated by a gradient flow determined by the distribution of the inhomogeneous medium and that its center moves toward the critical point of the inhomogeneous medium.
Experimental investigation on the seismic performance of reinforced concrete frames with decoupled masonry infills: considering in-plane and out-of-plane load interaction effects
Authors: Milijaš Aleksa , Marinković Marko , Butenweg Christoph , Klinkel Sven
Published: November 2024

Masonry infills are frequently employed as both outer and inner partitions in reinforced concrete (RC) frame structures due to their outstanding characteristics in terms of energy efficiency, fire resistance and sound isolation. However, common construction practice typically involves the mortar connection between masonry infills and RC frames. For this reason, the unforeseen frame-infill interaction takes part under seismic loading, which leads to severe and uncontrollable damage to masonry infills. This interaction also causes damage or even the collapse of the RC frames and thus of the whole structures. The poor performance of infilled RC frame structures in recent earthquake events is a strong motivation for the development of innovative engineering solutions, which aim to mitigate the detrimental effects of frame-infill interaction. This article introduces an innovative decoupling system founded on the concept of decoupling the RC frame from the masonry infill. The decoupling is achieved by inserting elastomeric material between the masonry infill and RC frame. The properly designed decoupling system allows infill activation only at high in-plane drifts. Simultaneously, it provides boundary conditions for seismic loads acting perpendicular to the infill plane. Firstly, the article explains the design of the masonry infill with the decoupling system and its installation. Afterwards, the results of small specimen tests carried out to determine the load-bearing capacity of the decoupling system are presented. Furthermore, the article discusses the findings of an extensive experimental campaign conducted on nine real-size RC frames with decoupled infills subjected to separate and combined in-plane and out-of-plane loadings. In addition to different loading types, various infill configurations are considered – solid infill, infill with centric window, and infill with centric door opening. Finally, the experimental results of RC frames with decoupled infills are compared with the experimental results of traditionally infilled RC frames, which were tested within the framework of the same project. The thorough evaluation and comparison of the experimental findings demonstrate the significant improvement of seismic performance of infilled RC frames if the decoupling system is applied.
Modeling inelastic behavior of U-shaped walls using multi-layer shell element: assessment at both global and local levels
Authors: Wang Zetao , Constantin Raluca , Zhang Shenghan
Published: November 2024

Over recent decades, various numerical approaches have been developed to simulate the nonlinear behavior of reinforced concrete (RC) walls, with the multi-layer shell element method being commonly employed for thin RC wall structures. Although the global force–displacement relationship is often used to validate numerical models, their accuracy at the local level is seldom assessed. A recent experimental program has provided a detailed benchmark for investigating the nonlinear behavior of RC U-shaped walls under both flexure- and torsion-dominated loading conditions. This study developed a detailed finite element model to evaluate the multi-layer shell element method’s effectiveness in simulating both the global and local responses of RC U-shaped walls. At the global level, the model accurately captured the wall pre-failure cyclic hysteresis, cracking pattern and stiffness degradation. At the local level, the model’s accuracy was assessed by comparing the concrete deformation, rebar strain distribution and crack width. The results indicated that the model reasonably represented the local behavior of the U-shaped walls at small drift levels. However, the error increased with higher drift level, particularly in reproducing the concrete deformation and reinforcement strain at the wall base. This study provides insights into the capabilities and limitations of the proposed model, informing future improvements in the numerical simulation of RC wall structures.
Advanced nonlinear soil-structure interaction model for the seismic analysis of safety-related nuclear structures
Authors: Gonzalez J. M. , Barbat A. H. , Vargas-Alzate Y. F. , Rastellini F. , Ramirez J. , Escudero C. , Pujades L. G.
Published: November 2024

This article proposes an advanced nonlinear soil-structure interaction methodology, for the seismic analysis of a nuclear structure. To do so, a study is performed on a nuclear reinforced concrete structure considering the effects of the nonlinearity due to the sliding and rocking at the soil-structure interface, under a Beyond Design Basis Earthquake. A tridimensional numerical model based on the Finite Element Method is developed for the structure and the soil. The model of the structure considers composite materials to describe all the structural members, taking full advantage of the modelling capabilities of the finite element method. The soil layers are modelled assuming their degraded properties due to the propagation of the seismic ground motion. An innovative approach to achieve spectral matching at the surface of the FEM soil model after propagation from the bedrock has been successfully implemented. The seismic analysis on the structure has been performed by considering three hypotheses for the contact between soil and structure: fixed-base, fixed contact and sliding-rocking contact. Insights are provided after comparing floor spectra for the contact approaches assessed in this research, calculated at the systems and components’ locations at the nuclear structure. Finally, a statistical approach for the soil properties allows to study the effects of these uncertainties on the structural response.
Costs and benefits of a formal academic qualification beyond the PhD
Authors: Koenig Johannes
Published: November 2024

In many Western and Eastern European countries, the habilitation is the highest formal qualification awarded by universities, ranking above the doctorate. Despite its central role in the European higher education system, little is known about the career trajectories of those who have obtained this degree. This paper systematically analyzes the career trajectories of scientists and scholars who have completed a habilitation in Germany, comparing these to those of individuals who did not complete a further degree after their PhD. To do so, linked social insurance data from a period of 2 years prior to 15 years after receiving the doctorate are used. My analysis reveals the substantial monetary costs of pursuing an additional qualification after the PhD. The empirical findings indicate that the benefits of an additional qualification beyond the PhD are primarily non-monetary, for example having a cognitively demanding and challenging job requiring a high level of education, and an increased likelihood of employment within the academic sector. These findings may indicate that beyond a certain level of education, and with an already fairly strong integration into the labor market, non-financial aspects of work could become more significant to individuals than income maximization.
Optimized evaluation of the quality of sensor video internet of things (VIOT) by the integration of big data and artificial intelligence
Authors: Wen Zhiqiang , Wang Fei , Yang Nan
Published: November 2024

The application of sensor video internet of things technology to large-scale integrated work can significantly improve the working quality of employees. However, the degree of improvement in working quality is still difficult to measure in a systematic, intelligent, stable, and accurate manner. local optimization and adjustment after evaluation are still relatively challenging, To address these issues, the study proposes a method of optimizing the evaluation of sensor video quality through the integration of big data and AI techniques. A large-scale integrated distance education system in the field of education and training with a certain application basis is adopted as a case. Including big data and AI techniques such as integrated intelligent agent modules, recommendation algorithms, and transaction optimization algorithms, a new agent-oriented system design with fast response speed, strong scalability, convenient local optimization, and greater stability is achieved. According to the network topology structure of the distance education system in colleges and universities, this paper uses queuing theory to analyze the system performance of the system. The focus of this paper is the quantitative relationship between system communication intensity ρ, user arrival rate λ, system channel capacity n and system waiting delay, blocking probability, average queue length, system throughput and other important performance indicators. In teaching evaluation, the key factor that affects the quality of classroom teaching, that is, Developing a comprehensive system for evaluating classroom instruction is crucial. By incorporating student feedback, leveraging data mining techniques, and harnessing computer technology, a holistic framework for gathering, analyzing, and generating actionable insights on teaching performance is established. This approach makes the evaluation process more systematic and evidence-based, identifying 12 key elements that influence classroom education standards. In the experimental section, the student assessment data sets I1 and I2 exhibit experimental values (statistics) that significantly exceed the thresholds, with a minimum support of 0.32 and a confidence level of 0.61. Moreover, the Boolean matrix is divided into 90 points. The rule U1Ua ≥ U2 is identified as a subset of {U1U2Ua} within the large item set, signifying a strong association rule. These findings confirm the robustness of the artificial intelligence model proposed in this paper for video quality prediction. The optimized sensor video quality evaluation method not only meets a satisfactory confidence level and matching value but also demonstrates good reliability and relevance in the evaluation criteria.
Evaluation of solar distiller performance using steel wool pads, internal reflectors, and woven wire mesh: economic, environmental, and sustainability analysis
Authors: Ramzy Khaled , abdelAziz Eslam Ahmed , Alswat Mohammed , Kabeel Abd Elnaby , Al-Nagdy Ahmed A. , Abdelgaleel Mohamed
Published: November 2024

Different researches were performed by using thermal storage materials, solar concentrators, reflectors, and other technologies to increase the productivity of solar stills. The main objective of the present study is to enhance the basin solar still productivity by using ecomaterials from the wastes of workshops and factories. So, this study presents an experimental investigation of basin solar still performance using steel wool pads, internal reflectors, and woven wire mesh. The experimental setup was performed at Suez Canal University, Ismailia City, Egypt. Two solar stills were included: one represents the conventional design (CSS), and the second one is the modified with steel wool pads, internal reflectors, and woven wire mesh (MSS). Both solar stills were evaluated under identical climate conditions, considering water depths of 1, 2, 3, and 4 cm, and the required parameters were measured and tabulated during the working days. The results indicated that incorporating these modifications led to a notable increase in accumulative productivity and daily thermal efficiency with minimum cost per liter. The MSS enhanced the daily yield and thermal efficiency by 22.1% and 28.0%, respectively, versus CSS at a water depth of 1 cm. In addition, the energy production factor (EPF), energy payback time (EPT), and the average exergy waste were 1.2 years, 0.85, and 400.2 J, respectively, for MSS. The annual exergy output, environmental effect factor (EEF), improvement potential (IP), and sustainability index were 462.7 kWh, 10.4, 290.6 W, and 1.09, respectively, for MSS. Finally, the cost per liter and the annual CO2 reduction over a lifetime for CSS and MSS were 0.023 $/l, 17.4 tons, and 0.11 $/l, 20.4 tons, respectively. These results align with and reinforce previous publications on desalination, highlighting the potential of these modifications for addressing the pressing challenges of affordable and efficient water using solar energy.
Presolar Grains as Probes of Supernova Nucleosynthesis
Authors: Liu Nan , Lugaro Maria , Leitner Jan , Meyer Bradley S. , Schönbächler Maria
Published: November 2024

We provide an overview of the isotopic signatures of presolar supernova grains, specifically focusing on 44Ti-containing grains with robustly inferred supernova origins and their implications for nucleosynthesis and mixing mechanisms in supernovae. Recent technique advancements have enabled the differentiation between radiogenic (from 44Ti decay) and nonradiogenic 44Ca excesses in presolar grains, made possible by enhanced spatial resolution of Ca-Ti isotope analyses with the Cameca NanoSIMS (Nano-scale Secondary Ion Mass Spectrometer) instrument. Within the context of presolar supernova grain data, we discuss (i) the production of 44Ti in supernovae and the impact of interstellar medium heterogeneities on the galactic chemical evolution of 44Ca/40Ca, (ii) the nucleosynthesis processes of neutron bursts and explosive H-burning in Type II supernovae, and (iii) challenges in identifying the progenitor supernovae for 54Cr-rich presolar nanospinel grains. Drawing on constraints and insights derived from presolar supernova grain data, we also provide an overview of our current understanding of the roles played by various supernova types – including Type II, Type Ia, and electron capture supernovae – in accounting for the diverse array of nucleosynthetic isotopic variations identified in bulk meteorites and meteoritic components. We briefly overview the potential mechanisms that have been proposed to explain these nucleosynthetic variations by describing the transport and distribution of presolar dust carriers in the protoplanetary disk. We highlight existing controversies in the interpretation of presolar grain data and meteoritic nucleosynthetic isotopic variations, while also outlining potential directions for future research.
Variability of trace elements in bodies of scrapers (Ephemeroptera) and predators (Plecoptera) from mountain rivers of Dzungarian Alatau (Kazakhstan) and Western Carpathians (Slovakia)
Authors: Solár Jaroslav , Haas Martina , Pánik Patrik , Oxikbayev Berikzhan , Abduakassov Aibek
Published: November 2024

Bioaccumulation of trace elements in aquatic environments can be influenced by local environmental conditions such as temperature fluctuations, pH levels, sediment composition, dissolved organic matter content, and the presence of other chemical substances. We analyzed the differences in trace elements accumulation (S, Cl, K, Ca, Ti, Cr, Mn, Fe, Cu, Zn, Rb, Sr, Mo, Ba, and Pb) between two trophic guilds—scrapers (Ephemeroptera) and predators (Plecoptera)—of freshwater benthic macroinvertebrates collected from mountain streams in Kazakhstan and Slovakia. Trace elements in dried insect bodies were analyzed using an X-ray spectrometer, and physicochemical parameters of stream water were investigated at each sampling site. Our results showed significant differences in Fe, Ti, and Sr levels in predators from Kazakhstan and Cu levels in predators from Slovakia. Despite some trace elements showing higher concentrations in one group over another, the overall differences between regions were more pronounced. Principal component analysis (PCA) revealed that the primary factors influencing trace elements variability were associated with environmental conditions such as temperature, oxygen levels, and total dissolved solids (TDS). PCA components indicated a higher load of trace elements in the warmer, less oxygenated streams, particularly in Kazakhstan. These findings suggest that both biotic (feeding strategies) and abiotic (geographical and environmental conditions) factors significantly influence trace elements dynamics in freshwater ecosystems.
Effectiveness of Public Messaging Within the Gambling Domain: A Systematic Review
Authors: Ray Devashish , Thomson Katie , Beyer Fiona R. , Williams Oleta , Stoniute Akvile , Arisa Oluwatomi , Vlaev Ivo , Oliver Emily J. , Kelly Michael P.
Published: November 2024

Gambling messaging is one potential component of a public health approach towards reducing gambling-related harm (GRH). This systematic review examined the effectiveness of existing public health gambling messaging interventions. Four databases were searched from inception to June 2023. Twenty-one papers met inclusion criteria. Studies were conducted in diverse settings, employed various designs, and evaluated messaging interventions that differed in their aims and reported outcomes. Interventions were categorised into three groups: general population-level messaging, gambling harm reduction messages, and product risk warnings. The evidence—currently limited—suggests that existing gambling messaging interventions are ineffective in changing behaviours but can raise awareness of GRH. Our findings underpinned recommendations for how the format and presentation of currently used ‘safer’ gambling messages and product warning labels may be improved. Research is required to develop and test messages that can help prevent and reduce GRH both for the general population and people who gamble.
Correlation between nova volume flow rate and TOF signal intensity ratio: value in unilateral internal carotid artery occlusion
Authors: Wolf Fabian , Colombo Elisa , Schubert Tilman , Höbner Lara Maria , Wegener Susanne , Fierstra Jorn , Sebök Martina , van Niftrik Bas , Luft Andreas , Regli Luca , Esposito Giuseppe
Published: November 2024

Background and purposes

Non-invasive optimal vessel analysis quantitative magnetic resonance angiography (NOVA-QMRA) has emerged as a valuable tool to characterize cerebral hemodynamics in intracranial atherosclerotic disease (ICAD). Our aim was to explore the eventual correlation between volume flow rate (VFR) measured via NOVA-QMRA and signal intensity ratio (SIR) of time-of-flight (TOF) MRA in M1- and P2-segments bilaterally in patients with unilateral internal carotid artery (ICA) occlusion.

Materials and methods

Patients with acute, subacute or chronic unilaterall ICA occlusion receiving NOVA-QMRA between June 2019 and June 2021 were retrospectively included. In bilateral M1- and P2-segments VFR was assessed by means of NOVA-QMRA and a region of interest (ROI) was selected to measure TOF SIR. A correlation between TOF SIR and VFR was tested by means of Pearson correlation coefficient. Mean difference of TOF SIR and VFR between ipsilateral (to occluded ICA) and contralateral M1- and P2-segments was analyzed using a two-sided Welch’s t test.

Results

Fifty-five patients with unilateral ICA occlusion were included (acute: 28; subacute: 8; chronic: 19). Both ipsilateral (r = 0.536, p < 0.001) and contralateral (r = 0.757, p < 0.001) TOF SIR correlated significantly with NOVA VFR. This observation proved especially true for patients with chronic ICA occlusion. Both VFR (165.18 vs 110.60, p < 0.001) and TOF SIR (4.96 vs 2.70, p < 0.001) were higher in contralateral than ipsilateral M1-segments; whereas, the contrary was observed for P2-segments (VFR 72.35 vs 102.12, p < 0.001, TOF SIR 2.87 vs 3.39, p = 0.016).

Conclusion

The study results showed that TOF SIR significantly correlated with phase-contrast derived flow volume in patients with symptomatic ICA occlusion. This correlation remains the same regardless of the stage of the ischemic stroke (acute vs subacute vs chronic). Furthermore, significantly high VFR and TOF SIR in ipsilateral P2-segments may provide evidence of leptomeningeal collateralization in acute patients. Standardly performed TOF SIR Sequences might be of help for a qualitative evaluation of the flow in M1- and P2-segments in patients with unilateral ICA occlusions. NOVA QMRA allows precise quantitative measurements of the flow in cerebral vessels.

Graphical abstract