bluuebunny/crossref_metadata_2025_split huggingface dataset:
Subjective cognitive decline: Memory complaints, cognitive awareness, and metacognition
Authors: Cappa Stefano F. , Ribaldi Federica , Chicherio Christian , Frisoni Giovanni B. 
Published: July 2024

AbstractCognitive complaints are common in elderly subjects and are a frequent reason for referral to memory clinics. If the complaints are not associated with objective cognitive impairment, the condition is labelled subjective cognitive decline (SCD). SCD is often considered as a stage antedating objective impairment, and an at‐risk condition for subsequent dementia. Recent large‐scale studies indicate that a significantly increased risk of clinical progression in subjects with SCD is associated with positivity for Alzheimer's disease (AD) biomarkers, a finding supporting the notion that SCD can be due to different mechanisms not associated with neurodegeneration, including functional cognitive disorders. In this paper we present a selective review of research on the relations among SCD, cognitive awareness, and metacognitive abilities. We propose that longitudinal studies of metacognitive efficiency in SCD may provide useful cues about the risk of progression to dementia and the possible presence of a functional cognitive disorder, with different implications for the management of this prevalent aging‐related condition.Highlights
Subjective cognitive decline (SCD), a common cause of referral to memory clinics, can be due to multiple conditions.
The predictive value of SCD for progression to Alzheimer's disease (AD) dementia is high in association with AD biomarker positivity.
The awareness of cognitive decline is the mechanism responsible for the emergence of SCD and metacognition is the underlying neuropsychological function.
The awareness of cognitive decline in clinical patients is usually assessed comparing an informant rating to the patient self‐assessment, a method that can be affected by informant bias.
While there is strong evidence that awareness starts to decline with the onset of objective cognitive impairment, progressively leading to the anosognosia of AD, the status of metacognitive efficiency in SCD needs to be further investigated.
Quantitative, performance‐based indexes of metacognitive efficiency may contribute both to the assessment of progression risk and to the management of subjects with functional cognitive disorders.
Rate Equation Model for the Switch‐on Dynamics of Two Section Tapered Lasers
Authors: Adamiec Pawel , Tijero Jose Manuel Garcia , Esquivias Ignacio 
Published: July 2024

AbstractA simplified three‐rate‐equation model is proposed to study the dynamic behavior of a two‐section high‐power tapered laser. The model includes a traveling intensity approach to calculate the photon ratios in both sections. The simulations align with the experimental data of a 1060 nm distributed Bragg reflector two‐section tapered laser. The effect of driving conditions is analyzed on the peak power and pulse duration. The pulses it obtain experimentally are ≈100 ps with 4.2 W peak power at a 900 MHz repetition rate.
Reflection and Transmission of Airy Pulse from Controllable Periodic Temporal Boundary
Authors: Gaur Deependra Singh , Mishra Akhilesh Kumar 
Published: July 2024

AbstractThe interaction between two Airy pulses propagating at different wavelengths is numerically investigated. The periodically varying peak intensity of the soliton that emerges from stronger Airy pulse (pump pulse) leads to the formation of periodic temporal boundary. The relatively weaker Airy pulse (probe pulse) on interaction with this boundary gets partially reflected as well as transmitted. As a result, the probe pulse spectrum splits into two parts‐ the reflected pulse spectrum undergoes redshift while transmitted pulse exhibits blueshift. The probe pulse witnesses maximum reflection when point of interaction lies on the intensity maxima of the emergent soliton from pump Airy pulse. On the other hand, maximum transmission occurs when probe Airy pulse interacts at the intensity minima of the soliton. The reflection and transmission processes can be manipulated by tuning the time delay between pump and probe Airy pulses. In the case of a sufficiently intense pump pulse, the temporal boundary mimics the artificial optical event horizon, and the weak probe Airy pulse is completely reflected. This phenomenon is equivalent to the temporal version of total internal reflection. The results of the study hold potential applications in optical manipulation and temporal waveguiding.
Precisely Regulating Asymmetric Charge Distribution by Single‐Atom Central Doped Ag‐Based Series Clusters for Enhanced Photoreduction of CO2 to Alcohol Fuels
Authors: Huang Liu , Lu Rui , Zhang Wenchang , Fan Yikang , Du Yuanxin , Ni Kun , Zhu Yanwu , Zhu Manzhou 
Published: July 2024

AbstractHigh efficiently photocatalytic CO2 reduction (CO2RR) into liquid fuels in pure water system remains challenged. Iron polyphthalocyanine (FePPc) with strong light harvesting, unique Fe‐N4 structure, abundant pores, and good stability could serve as a promising catalyst for CO2 photoreduction. To further improve the catalytic efficiency, herein, symmetry‐breaking Fe sites are constructed by coupling with atomically precise M1Ag24 (M=Ag, Au, Pt) series clusters. Especially, the introduction of Pt1Ag24 causes the most asymmetric charge distribution of Fe in FePPc (followed by Au1Ag24 and Ag25), leading to the favorable CO2 adsorption and activation. In addition, Pt1Ag24‐FePPc exhibits the most effective photogenerated carriers transfer and separation. As a result, Pt1Ag24‐FePPc shows the methanol/ethanol yield of 48.55/32.97 μmol ⋅ gcat−1 ⋅ h−1 in H2O‐CO2 system under visible light irradiation, ~1.65/1.25‐fold, 1.83/1.37‐fold, and 3.60/1.61‐fold higher than that of Au1Ag24‐FePPc, Ag25‐FePPc, and FePPc, respectively. This work provides a concept for precisely construction and regulation symmetry‐breaking sites of cluster‐based catalysts for effective CO2 conversion.
Datengestützter Assistent für den Entwurf von Offshore‐Jacket‐Substrukturen
Authors: Qian Han , Bartels Jan‐Hauke , Peng Mengyan , Marx Steffen 
Published: July 2024

AbstractMit steigender Leistung von Offshore‐Windenergieanlagen (OWEA) werden immer mehr Einflussfaktoren in den verschiedenen Lebensphasen der Tragstruktur relevant, um die Machbarkeit, Wirtschaftlichkeit und Genehmigungsfähigkeit zu verbessern. Die konventionellen Entwurfsmethoden für OWEA sind komplex und teuer. Herkömmliche konzeptionelle Entwürfe stützen sich häufig auf die Expertise und Intuition von Ingenieur:innen, wodurch das Risiko von Verzerrungen aufgrund unzureichender Entwurfsinformationen zu Beginn eines Projekts besteht. Um dieses Risiko zu minimieren, wird in diesem Beitrag eine datengestützte Methode zur Vereinfachung des konzeptionellen Tragstrukturentwurfs entwickelt. Die Verwirklichung der Methode erfolgt, indem eine selbst erstellte globale Datenbank von bestehenden Windparks analysiert wird. Beispielhaft wird die datengestütze Methode für den konzeptionellen Entwurf von Offshore‐Jacket‐Substrukturen umgesetzt und evaluiert. Es zeigt sich, dass die Nennleistung der Anlage und die Wassertiefe des Windparks als zwei strukturelle Parameter für den konzeptionellen Entwurf von Jackets bei OWEA berücksichtigt werden sollten. Somit wird der Prozess wirtschaftlicher gestaltet und vereinfacht. Das Ergebnis bildet die Grundlage für den detaillierten Entwurf und die strukturelle Durchbildung der Gesamt‐OWEA.
Synergistic Gold Nanorod‐based Chemo‐Photothermal Therapy: A Promising Nanoparticle Approach for Refractory Multidrug‐Resistant Cancer
Authors: Alqahtani Haifa A. , Alshangiti Dalal Mohamed , Aldaleeli Nadiah , Madani Mohamed , Al‐Gahtany Samera Ali , Ghobashy Mohamed Mohamady 
Published: July 2024

AbstractMultidrug resistance (MDR) remains a formidable challenge in cancer treatment, necessitating innovative strategies to enhance therapeutic outcomes. This review explores the potential of a synergistic gold nanorod (GNR) therapy (SGNRT) utilizing GNRs as multifunctional platforms for co‐delivering chemotherapy and thermal therapies. The rational design of SGNRT systems enables targeted payload delivery, circumvention of Adenosine triphosphate (ATP)‐binding cassette drug efflux transporters, and hyperthermia‐induced chemo sensitization. In vitro studies demonstrate the synergistic impact of SGNRT in overcoming MDR, emphasizing its potential for enhanced antitumor efficacy. However, further in vivo investigations are essential to assess the clinical viability of this nanoparticle (NP)‐directed approach against advanced multidrug‐resistant malignancies. The integration of SGNRT holds promise for advancing precision cancer therapies and addressing the intricate challenges of drug resistance in clinical settings.
How Clavulanic Acid Inhibits Serine β‐Lactamases
Authors: Lang Pauline A. , de Munnik Mariska , Oluwole Abraham O. , Claridge Timothy D. W. , Robinson Carol V. , Brem Jürgen , Schofield Christopher J. 
Published: July 2024

AbstractClavulanic acid is a medicinally important inhibitor of serine β‐lactamases (SBLs). We report studies on the mechanisms by which clavulanic acid inhibits representative Ambler class A (TEM‐116), C (Escherichia coli AmpC), and D (OXA‐10) SBLs using denaturing and non‐denaturing mass spectrometry (MS). Similarly to observations with penam sulfones, most of the results support a mechanism involving acyl enzyme complex formation, followed by oxazolidine ring opening without efficient subsequent scaffold fragmentation (at pH 7.5). This observation contrasts with previous MS studies, which identified clavulanic acid scaffold fragmented species as the predominant SBL bound products. In all the SBLs studied here, fragmentation was promoted by acidic conditions, which are commonly used in LC–MS analyses. Slow fragmentation was, however, observed under neutral conditions with TEM‐116 on prolonged reaction with clavulanic acid. Although our results imply clavulanic acid scaffold fragmentation is likely not crucial for SBL inhibition in vivo, development of inhibitors that fragment to give stable covalent complexes is of interest.
A family with nine siblings showing signs of Rothmund–Thomson syndrome with two being definitely diagnosed with the syndrome due to homozygous N‐terminal mutation of RECQL4
Authors: Yadegari Fatemeh , Abed Aseel Rashid , Abd Ali Widad Yadallah , Al‐Abedi Haider Hamza , Zarinfam Shiva , Aminian Solaleh , Majidzadeh‐A Keivan 
Published: July 2024

Key Clinical MessageThis study presents a family with nine children, two of them diagnosed with RTS2 using genetic testing. The other siblings show some of the RTS2 criteria and are suggestive of the syndrome. Such reports help physicians be more alert in dealing with cases of rare syndromes. Timely initiation of genetic counseling and testing once the first child was diagnosed with the syndrome could have prevented the birth of affected siblings by RTS2. Since RTS2 patients could have a severe clinical manifestation as osteosarcoma which probably leads to death at a young age, the importance of genetic testing is even more underlined.
Engineering Ru−Au−Mn Trimetallic Nanostructure for High‐Performance Acidic Oxygen Evolution Electrocatalysis
Authors: Zhang Yuhang , Yue Shuai , Cao Rong , Cao Minna 
Published: July 2024

AbstractDeveloping highly efficient and stable electrocatalysts in acidic media is essential for proton exchange membrane water electrolyzers (PEMWEs). Especially for oxygen evolution reaction (OER), high overpotential is needed to overcome the high thermodynamic energy barrier of water splitting. Herein, we report a high‐efficiency self‐supported ternary alloy OER catalyst with high activity and good durability in acidic electrolytes by a simple electrodeposition method. The as‐prepared electrocatalyst consists of Ru, Au, and Mn alloy which is deposited on the carbon fiber paper (denoted as RuAuMn‐CFP). The RuAuMn‐CFP exhibits superior activity and only requires an overpotential of 131 mV at 10 mA cm−2 and outstanding stability of 30 h (10 mA cm−2) in acidic media, which outperforms the commercial Ru/C and Ir/C catalysts. Besides, at an overpotential of 140 mV, the RuAuMn‐CFP catalyst exhibited a remarkable mass activity of 29.63 mA/mg for OER. It is 7.9 times and 23.8 times higher than the commercial Ru/C and Ir/C catalysts (3.73 mA/mg, 1.24 mA/mg, respectively).
Superior Tumor Cell Uptake by Mono‐ and Tri‐Nuclear Rhodamine‐Gadolinium(III) Agents
Authors: Robertson Amy G. , Hall Andrew J. , Marfavi Anita , Rendina Louis M. 
Published: July 2024

AbstractThe synthesis and characterization of a novel trinuclear rhodamine‐Gd(III) complex, along with two analogous mononuclear rhodamine‐Gd(III) complexes, are reported. All complexes displayed good selectivity in a human glioma cell line (T98G) when compared to a glial cell line (SVG p12), with low cytotoxicities. Superior tumor cell uptake for these Gd(III) complexes was observed at lower incubation concentrations compared to previously‐reported delocalized lipophilic cations such as a rhodamine‐lanthanoid(III) probe and Gd(III)‐arylphosphonium complexes, with ca. 150 % and 250 % increases in Gd uptake, respectively.
Copper‐Mediated Synthesis of N‐Aryl‐Oxamic Acids
Authors: Badufle Margaux , Robert Frédéric , Landais Yannick 
Published: July 2024

AbstractThe Cu‐catalyzed Ullmann‐Goldberg cross‐coupling between aryl iodides and oxamates is shown to afford the corresponding N‐aryloxamates with yields ranging from moderate to excellent, when the oxamate precursor incorporates a bulky tertiary alkyl group effectively preventing product degradation under the strongly basic reaction conditions. The final oxamic acids are then generated through the acid hydrolysis of the oxamate in high yields. These acids were then converted into urethanes using PIDA under thermal conditions or a visible‐light Fe‐LMCT process. While electron‐deficient N‐aryl oxamic acids provide urethanes with high efficiencies, electron‐rich counterparts led to diminished yields due to aryl group over‐oxidation induced by PIDA.
Synthesis and Analysis of (γ,γ’,γ’’‐Trifluoro)neopentyl (TFNP) Aryl Ethers as a Polar Fluoroaliphatic Motif
Authors: Tarui Atsushi , Piscelli Bruno A. , Al‐Maharik Nawaf , Stewart Josephine M. , Niemcová Patricie , Cordes David B. , McKay Aidan P. , Murphy Cormac D. , Cormanich Rodrigo A. , Hagan David O' 
Published: July 2024

AbstractA route is developed to (γ,γ’,γ’’’‐trifluoro)neopentyl (TFNP) aryl ethers to extend the methods for the introduction of the tert‐butyl group, carrying a fluorine on each of the methyl substituents. The route combines neopentyltosylate 3 with phenols and thiophenols to give efficient substitution reactions to the corresponding TFNP aryl ethers. The three C−F bonds adopt a helical propeller conformation as revealed by computation and single crystal X‐ray structure analysis. The LogPs of TFNP ethers are lower (more hydrophilic) than their neopentyl analogues. The metabolism of selected TFNP ethers was explored in the fungus Cunninghamella elegans.
Numerical investigation and optimization of innovative root canal irrigation needles with composite flow control structures
Authors: Sun Xiaoyu , Tan Youwei , Liu Ruirui , Li Ping 
Published: July 2024

AbstractNeedle syringe irrigation is frequently used in root canal therapy, and the flow pattern during irrigation can be efficiently manipulated by means of passive flow control technique, resulting in expected irrigation performance improvement. Therefore, novel needles with composite flow control structures are numerically investigated and optimized in this study. Based on the 30G needle, six single/double side‐vented needles with dimple and protrusion are proposed. Two flow rates in line with clinical applications, 5.3 and 8.6 m/s, are used in the analysis. Three performance parameters are investigated. The safety of the irrigation system is evaluated by the root canal apical pressure, whereas the irrigant extension and the flushing efficiency are evaluated by the extending depth and the effective cleaning area, respectively. The results demonstrate that the shear stress of the double‐side‐vented needle is higher while the irrigant extension is enhanced with a dimple structure. The performance of the double‐side‐vented needle with a dimple is superior to that of other designs, with up to 33% improvement in extending depth and a 22% increase in effective cleaning area over the prototype. New needles do not raise risk of irrigant extrusion. Furthermore, the effect of dimple depth and outlet angle are investigated. The needle with a dimple of 0.04 mm depth shows the highest extending depth within the confines of the investigation. The effective cleaning area is significantly influenced by the needle outlets, and the effective cleaning area expands with an increase in needle outlet angle, while the extending depth gradually declines.
In‐Situ Growth of 2D to 3D NiO on Nickel Foam with Enhanced Capacity Retention as Battery‐Type Electrode for Asymmetric Supercapacitor
Authors: Wihdatul Himmah Siti , Wulan Septiani Ni Luh , Wustoni Shofarul , Raissa  , Prima Hardianto Yuda , Kim Hyungjun , Rinawati Mia , Yeh Min‐Hsin , Yuliarto Brian , Nuruddin Ahmad 
Published: July 2024

AbstractThis work presents a systematic study to synthesize NiO on nickel foam (NF) using a straightforward and cost‐efficient hydrothermal method, followed by calcination. Through comprehensive physicochemical analyses, it was demonstrated that the properties of the NF@NiO could be modulated by adjusting the concentration of the nickel (II) nitrate hexahydrate precursor. Notably, a morphological transition from a 2D sheet‐like structure to a 3D rambutan‐like formation was observed as the precursor concentration increased. The best‐performing NF@NiO 4 mM showed a maximum areal capacity of 723 mC cm−2 (equivalent to 547.73 F g−1) at a current density of 0.5 mA cm−2. This electrode also maintained remarkable cycle stability, retaining 78.9% of its capacitance after 10,000 cycles at a current density of 50 mA cm−2 in 2 M KOH. Furthermore, the assembled asymmetric supercapacitor (ASC) (NiO 4 mM//AC) achieved a specific capacitance of 64.79 F g−1 at a current density of 1 A g−1 with an energy density of 17.63 Wh kg−1 at a power density of 700 W kg−1.
Equalizer: Energy‐efficient machine learning‐based heterogeneous cluster load balancer
Authors: Rahmani Taha Abdelazziz , Belalem Ghalem , Mahmoudi Sidi Ahmed , Merad‐Boudia Omar Rafik 
Published: July 2024

SummaryHeterogeneous systems deliver high computing performance when effectively utilized. It is crucial to execute each application on the most suitable device while maintaining system balance. However, achieving equal distribution of the computing load is challenging due to variations in computing power and device architectures within the system. Moreover, scheduling applications at real‐time further complicates this task, as prior information about the submitted applications is absent. In this context, we introduce “Equalizer,” a real‐time load balancer for heterogeneous systems. “Equalizer” leverages machine learning to continuously monitor the system's state, predicting optimal devices for application execution at runtime. It assigns applications to devices that minimize system imbalance. To quantify system imbalance, we propose a novel metric that reflects the disparity in computing loads across the system's devices. This metric is calculated using predicted execution times of applications. To validate the performance of “Equalizer,” we conducted a comparative study against widely adopted approaches, namely Round Robin and Device Suitability. The experiments were performed on a heterogeneous cluster comprising a master host and three slave servers, equipped with a total of 4 central processing units (CPUs) and 4 graphics processing units (GPUs). All approaches were deployed on the cluster and evaluated using three distinct workloads categorized by their computing intensity: medium intensity, heavy intensity, and a combination of heavy and medium intensity, simulating real‐world scenarios. Each workload consisted of a set of 80 OpenCL applications with varying input data sizes. The experimental results demonstrate that “Equalizer” effectively minimized the system's imbalance, reduced the idle time of devices, and eliminated overloads. Moreover, “Equalizer” exhibited significant improvements in workload execution time, resource utilization, throughput, and energy consumption. Across all tested scenarios, “Equalizer” consistently outperformed alternative approaches, showcasing its robustness, adaptability to dynamic environments, and applicability in real‐world practice.
Accelerating NMR Shielding Calculations Through Machine Learning Methods: Application to Magnesium Sodium Silicate Glasses
Authors: Bertani Marco , Pedone Alfonso , Faglioni Francesco , Charpentier Thibault 
Published: July 2024

AbstractIn this work, we have applied the Kernel Ridge Regression (KRR) method using a Least Square Support Vector Regression (LSSVR) approach for the prediction of the NMR isotropic magnetic shielding (σiso) of active nuclei (17O, 23Na, 25Mg, and 29Si) in a series of (Mg, Na)–silicate glasses. The Machine Learning (ML) algorithm has been trained by mapping the local environment of each atom described by the Smooth Overlap of Atomic Position (SOAP) descriptor with isotropic chemical shielding values computed with DFT using the Gauge‐Included‐Projector‐Augmented‐Wave (GIPAW) approach. The influence of different training datasets generated through molecular dynamics simulations at various temperatures and with different inter‐atomic potentials has been tested and we demonstrate the importance of a wide exploration of the configurational space to enhance the transferability of the ML‐regressor. Finally, the trained ML‐regressor has been used to simulate the 29Si MAS NMR spectra of systems containing up to 20000 atoms by averaging hundreds of configurations extracted from classical MD simulations to account for thermal vibrations. This ML approach is a powerful tool for the interpretation of NMR spectra using relatively large systems at a fraction of the computational time required by quantum mechanical calculations which are of high computational cost.