bluuebunny/crossref_metadata_2025 huggingface dataset:
Large Orientation Angle Buried Substrate Enables Efficient Flexible Perovskite Solar Cells and Modules
Authors: Tong Xinyu , Xie Lisha , Li Jun , Pu Zhenwei , Du Songyu , Yang Mengjin , Gao Yanyan , He Mingzhu , Wu Shaohang , Mai Yaohua , Ge Ziyi
Published: July 2024

Flexible perovskite solar cells (f‐PSCs) have emerged as potential candidates for specific mechanical applications owing to their high foldability, efficiency, and portability. However, the power conversion efficiency (PCE) of f‐PSC remains limited by the inferior contact between perovskite and flexible buried substrate. Here, an asymmetric π‐extended self‐assembled monolayer (SAM) (4‐(9H‐dibenzo[a,c]carbazol‐9‐yl)butyl)phosphonic acid (A‐4PADCB) is reported as a buried substrate for efficient inverted f‐PSCs. Employing this design strategy, A‐4PADCB exhibits a significant orientation angle away from the surface normal, homogenizing the distribution of contact potentials. This enhancement improves the SAM/perovskite interface quality, controlling the growth of favorable perovskite films with low defect density and slight tensile stress. Integration of A‐4PADCB into small‐area f‐PSCs and large‐area flexible perovskite solar modules with an aperture area of 20.84 cm2 achieves impressive PCEs of up to 25.05% and 20.64% (certified 19.51%), respectively. Moreover, these optimized A‐4PADCB‐based f‐PSCs possess enhanced light, thermal, and mechanical stability. This research paves a promising avenue toward the design of SAM‐buried substrates with a large orientation angle, regulating perovskite growth, and promoting the commercialization of large‐area flexible perovskite photovoltaics.
Immuno‐Nanocomplexes Target Heterogenous Network of Inflammation and Immunity in Myocardial Infarction
Authors: Su Fan , Ye Weifan , Shen Yi , Xie Yujie , Zhang Chong , Zhang Qianyun , Tang Zhengqi , Yu Meihua , Chen Yu , He Bin
Published: July 2024

Despite the proceeds in the management of acute myocardial infarction (AMI), the current therapeutic landscape still suffers from limited success in the clinic. Exaggerated inflammatory immune response and excessive oxidative stress are key pathological features aggravating myocardium damage. Herein, catalytic immunomodulatory nanocomplexes as anti‐AMI therapeutics to resolve reactive oxygen species (ROS)‐proinflammatory neutrophils‐specific‐inflammation is engineered. The nanocomplexes contain lyophilic S100A8/9 inhibitor ABR2575 in the core of nanoemulsions, which effectively disrupts the neutrophils‐S100A8/A9‐inflammation signaling pathway in the AMI microenvironment. Additionally, ROS scavenger ultrasmall CuxO nanoparticles are incorporated into the nanoemulsions via coordinating with SH groups of poly(ethylene glycol) (PEG)‐conjugated lipids, which mimic multiple enzymes, dramatically alleviating the oxidative stress damage to myocardial tissue. This combination strategy significantly suppresses the infiltration of pro‐inflammatory monocytes, macrophages, and neutrophils, as well as the secretion of inflammatory cytokines. Additionally, it potentially triggers cardiac Tert activation, which promotes myocardial function and decreases infarction size in preclinical murine AMI models. This approach offers a new nanomedicine for treating AMI, resulting in a dramatically enhanced therapeutic outcome.
A Scalable and Robust Water Management Strategy for PEMFCs: Operando Electrothermal Mapping and Neutron Imaging Study
Authors: Xu Linlin , Trogadas Panagiotis , Zhou Shangwei , Jiang Shuxian , Wu Yunsong , Rasha Lara , Kockelmann Winfried , Yang Jia Di , Neville Toby , Jervis Rhodri , Brett Dan J. L. , Coppens Marc‐Olivier
Published: July 2024

Effective water management is crucial for the optimal operation of low‐temperature polymer electrolyte membrane fuel cells (PEMFCs). Excessive liquid water production can cause flooding in the gas diffusion electrodes and flow channels, limiting mass transfer and reducing PEMFC performance. To tackle this issue, a nature‐inspired chemical engineering (NICE) approach has been adopted that takes cues from the integument structure of desert‐dwelling lizards for passive water transport. By incorporating engraved, capillary microchannels into conventional flow fields, PEMFC performance improves significantly, including a 15% increase in maximum power density for a 25 cm2 cell and 13% for a 100 cm2 cell. Electro‐thermal maps of the lizard‐inspired flow field demonstrate a more uniform spatial distribution of current density and temperature than the conventional design. Neutron radiography provides evidence that capillary microchannels in the lizard‐inspired flow field facilitate the efficient transport and removal of generated liquid water, thereby preventing blockages in the reactant channels. These findings present a universally applicable and highly efficient water management strategy for PEMFCs, with the potential for widespread practical implementation for other electrochemical devices.
Role of STAT3‐FOXO3 Signaling in the Modulation of Neuroplasticity by PD‐L1‐HGF‐Decorated Mesenchymal Stem Cell‐Derived Exosomes in a Murine Stroke Model
Authors: Lin Syuan‐Ling , Chang Yi‐Wen , Lee Wei , Chiang Chih‐Sheng , Liu Shih‐Ping , Lee Hsu‐Tung , Jeng Long‐Bin , Shyu Woei‐Cherng
Published: July 2024

The limited therapeutic strategies available for stroke leave many patients disabled for life. This study assessed the potential of programmed death‐ligand 1 (PD‐L1) and hepatocyte growth factor (HGF)‐engineered mesenchymal stem cell‐derived exosomes (EXO‐PD‐L1‐HGF) in enhancing neurological recovery post‐stroke. EXO‐PD‐L1‐HGF, which efficiently endocytosed into target cells, significantly diminishes the H2O2‐induced neurotoxicity and increased the antiapoptotic proteins in vitro. EXO‐PD‐L1‐HGF attenuates inflammation by inhibiting T‐cell proliferation and increasing the number of CD8+CD122+IL‐10+ regulatory T cells. Intravenous injection of EXO‐PD‐L1‐HGF could target stromal cell‐derived factor‐1α (SDF‐1α+) cells over the peri‐infarcted area of the ischemic brain through CXCR4 upregulation and accumulation in neuroglial cells post‐stroke. EXO‐PD‐L1‐HGF facilitates endogenous nestin+ neural progenitor cell (NPC)‐induced neurogenesis via STAT3‐FOXO3 signaling cascade, which plays a pivotal role in cell survival and neuroprotection, thereby mitigating infarct size and enhancing neurological recovery in a murine stroke model. Moreover, increasing populations of the immune‐regulatory CD19+IL‐10+ and CD8+CD122+IL‐10+ cells, together with reducing populations of proinflammatory cells, created an anti‐inflammatory microenvironment in the ischemic brain. Thus, innovative approaches employing EXO‐PD‐L1‐HGF intervention, which targets SDF‐1α+ expression, modulates the immune system, and enhances the activation of resident nestin+ NPCs, might significantly alter the brain microenvironment and create a niche conducive to inducing neuroplastic regeneration post‐stroke.
Hierarchical Supramolecular Aggregation of Molecular Nanoparticles for Granular Materials with Ultra High‐Speed Impact‐Resistance
Authors: Zhou Xin , Yin Jia‐Fu , Chen Cong , Chi Yanjie , Chen Jiadong , Liu‐Fu Wei , Yang Junsheng , Long Shuchang , Tang Liqun , Yao Xiaohu , Yin Panchao
Published: July 2024

The high‐speed impact‐resistanct materials are of great significance while their development is hindered by the intrinsic tradeoff between mechanical strength and energy dissipation capability. Herein, the new chemical system of molecular granular material (MGM) is developed for the design of impact‐resistant materials from the supramolecular complexation of sub‐nm molecular clusters (MCs) and hyper‐branched polyelectrolytes. Their hierarchical aggregation provides the origin of the decoupling of mechanical strengths and structural relaxation dynamics. The MCs’ intrinsic fast dynamics afford excellent high‐speed impact‐resistance, up to 5600 s−1 impact in a typical split‐Hopkinson pressure bar test while only tiny boundary cracks can be observed even under 7200 s−1 impact. The high loadings of MCs and their hierarchical aggregates provide high‐density sacrificial bonding for the effective dissipation of the impact energy, enabling the protection of fragile devices from the direct impact of over 200 m s−1 bullet. Moreover, the MGMs can be conveniently processed into protective coatings or films with promising recyclability due to the supramolecular interaction feature. The research not only reveals the unique relaxation dynamics and mechanical properties of MGMs in comparison with polymers and colloids, but also develops new chemical systems for the fabrication of high‐speed impact‐resistant materials.
Amorphous Nanomaterials: Emerging Catalysts for Electrochemical Carbon Dioxide Reduction
Authors: Tan Menglin , Huang Biao , Su Lina , Jiao Xinran , Feng Fukai , Gao Yixuan , Huang Qianli , Huang Zhiqi , Ge Yiyao
Published: July 2024

In the past decades, the rapid depletion of non‐renewable energy sources has caused growing energy crisis and increasing emissions of carbon dioxide (CO2), which aggravates global warming and catastrophic climate change. Electrocatalysis is regarded as an effective method for consuming atmospheric CO2 and simultaneously alleviating the energy problem by converting CO2 into high value‐added chemicals. Amorphous nanomaterials with long‐range disordered structures possess abundant highly unsaturated atomic sites and dangling bonds on their surfaces, thus providing a large number of active sites, and show unique electronic structures compared to their crystalline counterparts due to the distinct atomic arrangements. Therefore, amorphous nanomaterials are recently demonstrated as highly efficient catalysts for diverse electrocatalytic reactions, including electrocatalytic CO2 reduction reaction (CO2RR). Here the rational synthesis and electrocatalytic performance of newly emerging amorphous nanomaterials will be outlined for electrocatalytic CO2RR. Importantly, the intrinsic merits of these amorphous catalysts in CO2RR processes will be summarized and highlighted. Finally, these perspectives on the remaining challenges and some potential future directions in this emerging field will also be provided.
Advances in the Synthesis of 1,3‐Disubstituted Ferrocene Derivatives: From Stoichiometric to Catalytic Methods
Authors: Santamaría Javier , García‐Martínez Patricia , López Luis A.
Published: July 2024

Functionalized ferrocene derivatives have a wide range of applications across various scientific fields. Although significant progress has been made in synthesizing 1,2‐disubstituted ferrocene derivatives, the preparation of 1,3‐disubstituted ferrocenes remains challenging. Recently, however, several powerful synthetic approaches to 1,3‐disubstituted ferrocenes have been reported. This review aims to present the evolution of these synthetic methods, from initial stoichiometric approaches to the more recent catalytic methodologies.
New quantitative analyses of the Nacholapithecus kerioi proximal ulna confirm morphological affinities with Equatorius and large papionins
Authors: Pina Marta , Nakatsukasa Masato
Published: July 2024

Objectives

The elbow of Nacholapithecus has been extensively described qualitatively, however its ulnar morphology has never been the focus of an in‐depth quantitative analysis before. Hence, our main aim is quantifying the proximal ulnar morphology in Nacholapithecus and exploring whether it is similar to those of Equatorius and Griphopithecus as previously reported.

Materials and Methods

We compared Nacholapithecus proximal ulnar morphology with a sample of extant and extinct anthropoids through principal component analysis and agglomerative hierarchical cluster analysis. Moreover, we calculated the Cophenetic Correlation Coefficient and checked for taxonomical group mean differences through MANOVA and pairwise post‐hoc comparisons, as well as the phylogenetic signal in the variables used.

Results

The Nacholapithecus ulna displays a moderately long and relatively narrow olecranon, a relatively wide trochlear surface‐radial notch width, and a relatively thin sigmoid notch depth. These features resemble those of large papionins and chimpanzees, and some extinct taxa, mainly Equatorius.

Discussion

Results presented here reinforce previous inferences on the functional morphology of the Nacholapithecus elbow, showing adaptations for general quadrupedal behaviors. However, other derived features (e.g., a relatively wide trochlear surface) might be associated with the ape‐like traits described for its distal humerus (e.g., wide trochlear groove), thus displaying a combination of primitive and derived features in the proximal ulna. Finally, affinities with large papionins could suggest the presence of some terrestrial habits in Nacholapithecus. However, the lack of evidence in the rest of the skeleton prevents us from suggesting terrestrial affinities in this taxon in a conclusive manner.
Ontogenetic biomechanics of tufted (Sapajus) and untufted (Cebus) capuchin mandibles
Authors: Polvadore Taylor A. , Yoakum Caitlin B. , Taylor Parker M. , Holmes Megan A. , Laird Myra F. , Chalk‐Wilayto Janine , Kanno Cláudia Misue , de Oliveira José Américo , Terhune Claire E.
Published: July 2024

Objectives

Cortical bone geometry is commonly used to investigate biomechanical properties of primate mandibles. However, the ontogeny of these properties is less understood. Here we investigate changes in cortical bone cross‐sectional properties throughout capuchin ontogeny and compare captive versus wild, semi‐provisioned groups. Tufted capuchins (Sapajus spp.) are known to consume relatively hard/tough foods, while untufted capuchins (Cebus spp.) exploit less mechanically challenging foods. Previous research indicates dietary differences are present early in development and adult Sapajus mandibles can resist higher bending/shear/torsional loads.

Materials and methods

This study utilized microCT scans of 22 Cebus and 45 Sapajus from early infancy to adulthood from three sample populations: one captive Cebus, one captive Sapajus, and one semi‐provisioned, free‐ranging Sapajus. Mandibular cross‐sectional properties were calculated at the symphysis, P3, and M1. If the tooth had not erupted, its position within the crypt was used. A series of one‐way ANOVAs were performed to assess differences between and within the sample populations.

Results

Mandible robusticity increases across ontogeny for all three sample populations. Sapajus were better able to withstand bending and torsional loading even early in ontogeny, but no difference in shear resistance was found. Semi‐provisioned, free‐ranging Sapajus tend to show increased abilities to resist bending and torsional loading but not shear loading compared to captive Sapajus.

Discussion

This study helps advance our understanding of the primate masticatory system development and opens the door for further studies into adaptive plasticity in shaping the masticatory apparatus of capuchins and differences in captive versus free‐ranging sample populations.
Subjective cognitive decline: Memory complaints, cognitive awareness, and metacognition
Authors: Cappa Stefano F. , Ribaldi Federica , Chicherio Christian , Frisoni Giovanni B.
Published: July 2024

Cognitive 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

A 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

The 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

High 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

Mit 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

Multidrug 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

Clavulanic 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 Message

This 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

Developing 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

The 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

The 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

A 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

Needle 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

This 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

Heterogeneous 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

In 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.
Racial and Ethnic Disparities in Antihypertensive Medication Prescribing Patterns and Effectiveness
Authors: Goleva Slavina B. , Williams Ariel , Schlueter David J. , Keaton Jacob M. , Tran Tam C. , Waxse Bennett J. , Ferrara Tracey M. , Cassini Thomas , Mo Huan , Denny Joshua C.
Published: July 2024

Variability in drug effectiveness and provider prescribing patterns have been reported in different racial and ethnic populations. We sought to evaluate antihypertensive drug effectiveness and prescribing patterns among self‐identified Hispanic/Latino (Hispanic), Non‐Hispanic Black (Black), and Non‐Hispanic White (White) populations that enrolled in the NIH All of Us Research Program, a US longitudinal cohort. We employed a self‐controlled case study method using electronic health record and survey data from 17,718 White, Hispanic, and Black participants who were diagnosed with essential hypertension and prescribed at least one of 19 commonly used antihypertensive medications. Effectiveness was determined by calculating the reduction in systolic blood pressure measurements after 28 or more days of drug exposure. Starting systolic blood pressure and effectiveness for each medication were compared for self‐reported Black, Hispanic, and White participants using adjusted linear regressions. Black and Hispanic participants were started on antihypertensive medications at significantly higher SBP than White participants in 13 and 7 out of 19 medications, respectively. More Black participants were prescribed multiple antihypertensive medications (58.46%) than White (52.35%) or Hispanic (49.9%) participants. First‐line HTN medications differed by race and ethnicity. Following the 2017 American College of Cardiology and the American Heart Association High Blood Pressure Guideline release, around 64% of Black participants were prescribed a recommended first‐line antihypertensive drug compared with 76% of White and 82% of Hispanic participants. Effect sizes suggested that most antihypertensive drugs were less effective in Hispanic and Black, compared with White, participants, and statistical significance was reached in 6 out of 19 drugs. These results indicate that Black and Hispanic populations may benefit from earlier intervention and screening and highlight the potential benefits of personalizing first‐line medications.
Congenital and Fetal Effects After Mifepristone Exposure and Continuation of Pregnancy: A Systematic Review
Authors: Turner Joseph V. , Garratt Deborah , Barwick Anna , McLindon Lucas A. , Spark M. Joy , Smith Angela
Published: July 2024

Mifepristone is an anti‐progestational drug that is the first component of the standard medical abortion regimen. For women who take mifepristone and then do not take misoprostol, which is the second component of the medical abortion regimen, it is possible that their pregnancy may continue to live birth. Since mifepristone is commonly used for medical abortion up to 9–10 weeks gestation, any adverse or teratogenic effects on the developing embryo/fetus must be considered, given exposure during the critical time of its development and organogenesis. Toxicology and teratology reports have cited studies demonstrating teratogenic effect of mifepristone in some animals. Current clinical guidelines for women exposed to mifepristone in the first trimester of pregnancy state that it is not known to be teratogenic based on limited published evidence from humans. The aim of this narrative systematic review was to investigate embryonic/fetal exposure to mifepristone and any association with congenital or fetal anomalies. This study was conducted by systematic searches of health databases from inception to February 2024. The references of relevant citations were manually searched to retrieve any additional citations not captured in database searching. Congenital anomalies and adverse outcomes were encountered at various doses of mifepristone exposure. A number of the congenital anomalies encountered in this review were explained by circumstances other than exposure to mifepristone. The present systematic review did not find data to support mifepristone being implicated as a teratogen.
Access to Substituted 1,1‐Diarylalkanes by Friedel–Crafts Benzylations Mediated by FeCl3‐based Deep Eutectic Solvents
Authors: Ramos‐Martín Marina , García‐Álvarez Joaquín , Soto Alejandro Presa
Published: July 2024

The development of new, more efficient Friedel–Crafts benzylation methodologies that provide access to 1,1‐diarylalkanes is an important objective of interest for the production of pharmaceuticals and fine chemical products. In this regard, this study introduces a novel synthetic route to 1,1‐diarylalkanes conducted in the Deep Eutectic Solvent (DES) 3 FeCl3 ⋅ 6 H2O/Gly, which serves as both a reaction medium and promoter. Under these conditions, Friedel–Crafts benzylations of various arenes bearing activating and deactivating ortho‐/para‐directing groups, can be performed using diverse benzylating reagents such as styrenes, alcohols, acetates, ethers, and chlorides. Importantly, highly electronically deactivated electrophiles, including those with CF3 and NO2 groups, are suitable substrates. This methodology provides a wide range of asymmetric 1,1‐diarylalkanes (up to 132 examples) with generally good yields and high regioselectivities. The efficiency of this approach was demonstrated with the multigram‐scale synthesis (10 mmol) of 1‐phenyl‐1‐xylyl ethane (PXE), a liquid with great industrial applicability. Moreover, the Fe(III)‐based DES could be reused for 20 consecutive cycles with no appreciable erosion of the yields.
Molecular Engineering of Benzobisoxazole‐Based Conjugated Polymers for High‐Performance Organic Photodetectors and Fingerprint Image Sensors
Authors: Shin Cheol , Jeong WonJo , Darici Lee Ezgi , Park Jong Baek , Ahn Hyungju , Baek Seyeon , Kim Myeong In , Chung Dae Sung , Seo Kang‐Il , Jung In Hwan
Published: July 2024

Various novel conjugated polymers (CPs) have been developed for organic photodetectors (OPDs), but their application to practical image sensors such as X‐ray, R/G/B, and fingerprint sensors is rare. In this article, we report the entire process from the synthesis and molecular engineering of novel CPs to the development of OPDs and fingerprint image sensors. We synthesized six benzo[1,2‐d:4,5‐d']bis(oxazole) (BBO)‐based CPs by modifying the alkyl side chains of the CPs. Several relationships between the molecular structure and the OPD performance were revealed, and increasing the number of linear octyl side chains on the conjugated backbone was the best way to improve Jph and reduce Jd in the OPDs. The optimized CP demonstrated promising OPD performance with a responsivity (R) of 0.22 A/W, specific detectivity (D*) of 1.05 × 1013 Jones at a bias of −1 V, rising/falling response time of 2.9/6.9 μs, and cut‐off frequency (f‐3dB) of 134 kHz under collimated 530 nm LED irradiation. Finally, a fingerprint image sensor was fabricated by stacking the POTB1‐based OPD layer on the organic thin‐film transistors (318 ppi). The image contrast caused by the valleys and ridges in the fingerprints was obtained as a digital signal.
A field survey on the dietary use of traditional Chinese medicine in selected regions with the Cantonese, Hakka, and Teochew populations in Guangdong province, China
Authors: Peng Jie‐wen , Chen Shao‐wei , Wang Ping , Huang Rui , Li Qing , Chen Zi‐hui
Published: July 2024

The purpose of this study was to assess the dietary consumption patterns of traditional Chinese medicine (TCM) among the population in Guangdong province. Employing a cross‐sectional design, the survey was conducted from 2019 to 2021 to examine the inclusion of TCM in the diet of participants in Guangdong province. Information regarding consumption of TCM during the preceding 12 months was collected using a food frequency questionnaire. The participant cohort comprised a total of 3031 participants, consisting of 1081 Cantonese, 967 Hakka, and 983 Teochew individuals. The survey included 42 TCM, with consumption rates ranging from 2.6% to 47.3%. The top five TCM comprised Citri Reticulatae Pericarpium (47.3%), Lonicerae Japonicae Flos (47.0%), Codonopsis Radix (46.4%), Polygonati Odorati Rhizoma (43.1%), and Siraitiae Fructus (41.5%), along with Panacis Quinquefolii Radix (41.5%). These TCM possess recognized therapeutic properties within TCM for clearing heat, drying dampness, and detoxification. Within the top decile of 10 TCM, only Lonicerae Japonicae Flos was ubiquitous across all three sub‐populations. Nonetheless, 11 TCM from the top 20 and 17 TCM from the top 30 overlapped among the three sub‐populations. The study revealed substantial variability in the consumption rates of different TCM. Notably, those with traditional Chinese medicine effects of clearing heat, drying dampness, and detoxification exhibited higher consumption rates. Disparities in the consumption rates of these TCM were noted among the Cantonese, Hakka, and Teochew populations.
Indexversuche zur Bestimmung der Abrasivität von Lockergestein
Authors: Drucker Petra , Feinendegen Martin , Holzhäuser Jörg , Richter Annette
Published: July 2024

Die Abnutzung von Werkzeugen kann insbesondere im Spezialtief‐ und Tunnelbau einen relevanten Kostenfaktor darstellen, der möglichst bereits vor Bauausführung prognostizierbar gemacht werden soll. Dabei sind jedoch unterschiedliche Faktoren, etwa das Verschleißpotenzial des Baugrunds, die Werkzeugeigenschaften, aber auch die Baumethode, die Ausführungsbedingungen sowie weitere Projektgegebenheiten zu berücksichtigen. Der DGGT‐Arbeitskreis 1.11 „Verschleiß und Verklebung“ arbeitet an Empfehlungen, u. a. zur Bewertung des Verschleißpotenzials von Lockergestein. In diesem Zusammenhang wurden mehrere Indexversuche identifiziert, die zur Bestimmung der Abrasivität von Böden herangezogen werden können, wobei jedoch zu berücksichtigen ist, dass Laborergebnisse nicht immer die realen Baugrundverhältnisse widerspiegeln. Die vorgestellten Versuchsmethoden decken unterschiedliche Korngrößenbereiche ab, eine Kombination der Versuche ermöglicht die Charakterisierung der Abrasivität von weitgestuften und gemischtkörnigen Lockergesteinen.
Una nueve, subespecia Iresine celosía L. ssp. tomentosa ssp. nov., para la Flora de Cuba
Authors: de la Luz de Armas Matilde
Published: July 2024

Iresine celosía ssp. tomentosa M. De la Luz ssp. nov. fue descrita como una subespecie de las Montañas de la Sierra Maestra. Difiero do Iresine celosia ssp. celosía en el tamaño de las hojas y en la intensidad de la pubescencia de todos los órganos vegetativos, éstos caracteres se describen en el trabajo.
Contribuciones al estudio del género Portulaca (Portulacaceae) en Cuba
Authors: Menes María Dolores Grtega
Published: July 2024

Basándose en los diferentes caracteres ecológicos y fito geográficos encontrados entre Portulaca terctifolia Hbk. var. teretifolia y Portulaca terctifolia Hbk. var. cubensis (Urb.) Legrand se establece un nuevo status de subespecie para este último taxon.