bluuebunny/crossref_metadata_2025 huggingface dataset:
Stochastic Spin‐Orbit‐Torque Synapse and its Application in Uncertainty Quantification
Authors: Wang Cen , Zeng Guang , Wen Xinyu , He Yuhui , Luo Wei , Chen Shiwei , Yang Xiaofei , Liang Shiheng , Zhang Yue
Published: February 2024

Stochasticity plays a significant role in the low‐power operation of a biological neural network. In an artificial neural network, stochasticity also contributes to critical functions such as the uncertainty quantification (UQ) for estimating the probability for the correctness of prediction. This UQ is vital for cutting‐edge applications, including medical diagnostics, autopilots, and large language models. Thanks to nonlinear variation of analogous Hall resistance with high computing velocity and low dissipation, a stochastic spin‐orbit‐torque (SOT) device exhibits significant potential for implementing the UQ. However, up until now, the application of UQ for stochastic SOT devices remains unexplored. In this study, based on SOT‐induced stochastic magnetic domain wall (DW) motion with varying velocity, a SOT synapse is fabricated that can emulate stochastic weight update following the Spike‐Timing‐Dependent‐Plasticity (STDP) rule. Furthermore, a stochastic SNN is set up, which, when compared to its deterministic counterpart, demonstrates a clear advantage in quantifying uncertainty for diagnosing the type of breast tumor (benign or malignant).
Multiscale Micro‐Nano Hierarchical Porous Germanium with Self‐Adaptive Stress Dispersion for Highly Robust Lithium‐Ion Batteries Anode
Authors: Guo Siguang , Sun Zhefei , Liu Yu , Guo Xinbo , Feng Haoqin , Luo Shi , Wei Changhao , Zheng Yang , Zhang Xuming , Kim Kangwoon , Liu Haodong , Chu Paul K , Gao Biao , Zhang Qiaobao , Huo Kaifu
Published: February 2024

The manipulation of stress in high‐capacity microscale alloying anode materials, which undergo significant volumetric variation during cycling, is crucial prerequisite for improved their cycling capability. In this work, an innovative structural design strategy is proposed for scalable fabrication of a unique 3D highly porous micro structured germanium (Ge) featuring micro‐nano hierarchical architecture as viable anode for high‐performance lithium‐ion batteries (LIBs). The resultant micro‐sized Ge, consisting of interconnected nanoligaments and bicontinuous nanopores, is endowed with high activity, decreased Li+ diffusion distance and alleviated volume variation, appealing as an ideal platform for in‐depth understanding the relationship between structural design and stress evolution. Such a micro‐sized Ge being highly porous delivers a record high initial Coulombic efficiency of 92.5%, large volumetric capacity of 2,421 mAh cm−3 at 1.2 mA cm−2, exceptional rate capability (805.6 mAh g−1 at 10 Ag−1) and cycling stability (over 90% capacity retention after 1000 cycles even at 5 A g−1), largely outperforming the reported Ge‐based anodes for LIBs. Furthermore, its underlying Li storage mechanism and stress dispersion behavior are explicitly revealed by combined substantial in situ/ex situ experimental characterizations and theoretical computation. This work provides novel insights into the rational design of high‐performance and durable alloying anodes toward high‐energy LIBs.
Tracking Sodium Cluster Dynamics in Hard Carbon with a Low Specific Surface Area for Sodium‐Ion Batteries
Authors: Aniskevich Yauhen , Yu Jun Ho , Kim Ji‐Young , Komaba Shinichi , Myung Seung‐Taek
Published: February 2024

Here, the sodium storage mechanism in commercial grade hard carbon with a low surface area is comprehensively investigated using electrochemical impedance spectroscopy (EIS), the galvanostatic intermittent titration technique, and in situ Raman spectroscopy for fresh and cycled electrodes. The reversible shift of the carbon G‐band peak on Raman spectra and substantial change of the charge‐transfer resistance in the sloping region of the voltage profile indicates the intercalation of sodium ions into hard carbon, whereas the low‐voltage plateau is associated with the pore‐filling process. In situ Raman analysis at low frequencies reveals that the pore filling is progressed via formation of small sodium clusters in closed pores. Prolonged cycling demonstrates that intercalation is stable and consistent throughout multiple charge–discharge cycles. The transition from intercalation to pore filling strongly affects the diffusion behavior, leading to considerably slower diffusivity at low voltage. The EIS effectively differentiates the contribution of adsorption to charge storage. The gradual growth of the solid‐electrolyte interphase layer affects the rise of the interfacial resistance as cycling progresses. In combination with the slower diffusivity, the low‐voltage plateau region strictly impedes fast de/sodiation and eventually causes capacity fade.
Significance of Vibronic Coupling that Shapes Circularly Polarized Luminescence of Double Helicenes
Authors: Mori Tadashi
Published: February 2024

The circularly polarized luminescence (CPL) spectra of S‐ and X‐shaped double helicenes exhibit distinct vibrational structures and overall shape variations. In this study, we conducted an in‐depth investigation into the vibronic effects influencing the CPL spectra of two double helicenes, namely DPC and DNH. Employing state‐of‐the‐art computations utilizing the FC‐HT1|VH model at the CAM−B3LYP/def2‐TZVP level, we unveiled the paramount impact of Franck–Condon (FC), Herzberg‐Teller (HT), and Duschinsky effects on their chiroptical responses. Our research underscores the pivotal role of structural deformations associated with the S1‐to‐S0 electronic transition in molding CPL spectra and wavelength‐dependent dissymmetry (g) factor values, as well as the significance of HT effects in shaping and enhancing CPL responses. This extensive investigation not only advances our comprehension of the vibronic characteristics in configurationally distinct double helicenes but also offers valuable insights for the design of chiral molecules featuring controllable or finely‐tunable CPL responses.
Uncovering Photoelectronic and Photothermal Effects in Plasmon‐Mediated Electrocatalytic CO2 Reduction
Authors: Wei Yan , Mao Zijie , Jiang Tian‐Wen , Li Hong , Ma Xian‐Yin , Zhan Chao , Cai Wen‐Bin
Published: February 2024

Plasmon‐mediated electrocatalysis that rests on the ability of coupling localized surface plasmon resonance (LSPR) and electrochemical activation, emerges as an intriguing and booming area. However, its development seriously suffers from the entanglement between the photoelectronic and photothermal effects induced by the decay of plasmons, especially under the influence of applied potential. Herein, using LSPR‐mediated CO2 reduction on Ag electrocatalyst as a model system, we quantitatively uncover the dominant photoelectronic effect on CO2 reduction reaction over a wide potential window, in contrast to the leading photothermal effect on H2 evolution reaction at relatively negative potentials. The excitation of LSPR selectively enhances the CO faradaic efficiency (17‐fold at −0.6 VRHE) and partial current density (100‐fold at −0.6 VRHE), suppressing the undesired H2 faradaic efficiency. Furthermore, in situ attenuated total reflection‐surface enhanced infrared absorption spectroscopy (ATR‐SEIRAS) reveals a plasmon‐promoted formation of the bridge‐bonded CO on Ag surface via a carbonyl‐containing C1 intermediate. The present work demonstrates a deep mechanistic understanding of selective regulation of interfacial reactions by coupling plasmons and electrochemistry.
Li+ Cations Activate NiFeOOH for Oxygen Evolution in Sodium and Potassium Hydroxide
Authors: van der Heijden Onno , Eggebeen Jordy J. J. , Trzesniowski Hanna , Deka Nipon , Golnak Ronny , Xiao Jie , van Rijn Maartje , Mom Rik V. , Koper Marc T. M.
Published: February 2024

The efficiency of electrolysis is reduced due to the sluggish oxygen evolution reaction (OER). Besides catalyst properties, electrocatalytic activity also depends on the interaction of the electrocatalyst with the electrolyte. Here, we show that the addition of small amounts of Li+ to Fe‐free NaOH or KOH electrolytes activates NiFeOOH for the OER compared to single‐cation electrolytes. Moreover, the activation was maintained when the solution was returned to pure NaOH. Importantly, we show that the origin of activation by Li+ cations is primarily non‐kinetic in nature, as the OER onset for the mixed electrolyte does not change and the Tafel slope at low current density is ~30 mV/dec in both electrolytes. However, the increase of the apparent Tafel slope remains lower at increasing current densities in the presence of Li+. Based on electrochemical quartz crystal microbalance and in situ X‐ray absorption spectroscopy measurements, we show that this reduction of non‐kinetic effects is due to enhanced intercalation of sodium, water and hydroxide. This enhanced electrolyte penetration facilitates the OER, especially at higher current densities and for increased catalyst loading. Our work shows that mixed electrolytes where distinct cations can have different roles provide a simple and promising strategy towards improved OER rates.
NHC‐Supported 2‐Sila and 2‐Germavinylidenes: Synthesis, Dynamics, First Reactivity and Theoretical Studies
Authors: Kumar Sandeep , Maurer Leonard R. , Schnakenburg Gregor , Das Ujjal , Filippou Alexander C.
Published: February 2024

2‐tetrelavinylidenes (C=EH2; E=Si, Ge) are according to quantum chemical studies the least stable isomers on the [E,C,2H] potential energy hypersurface isomerizing easily via the trans‐bent tetrelaacetylenes HE≡CH to the thermodynamically most stable 1‐tetrelavinylidenes (E=CH2). Consequently, experimental studies on 2‐tetrelavinylidenes (C=ER2) and their derivatives are lacking. Herein we report experimental and theoretical studies of the first N‐heterocyclic carbene (NHC) supported 2‐silavinylidene (NHC)C=SiBr(Tbb) (1‐Si: NHC=C[N(Dipp)CH]2, Dipp=2,6‐diisopropylphenyl, Tbb=2,6‐bis[bis(trimethylsilyl)methyl]‐4‐tert‐butylphenyl) and the isovalent 2‐germavinylidenes (NHC)C=GeBr(R) (1‐Ge, 1‐GeMind: R=Tbb, Mind (1,1,3,3,5,5,7,7‐octamethyl‐s‐hydrindacene‐4‐yl)). The NHC‐supported 2‐tetrelavinylidenes were obtained selectively from the 1,2‐dibromoditetrelenes (E)‐(R)BrE=EBr(R) using the diazoolefin (NHC)CN2 as vinylidene transfer reagent. 1‐E (E=Si, Ge) have a planar vinylidene core, a bent‐dicoordinated vinylidene carbon atom (CVNL), a very short E=CVNL bond and an almost orthogonal orientation of the NHC five‐membered ring to the vinylidene core. Quantum chemical analysis of the electronic structures of 1‐E suggest a significantly bent 1‐tetrelaallene and tetrelyne character. NMR studies shed light into the dynamics of 1‐E involving NHC‐rotation around the CVNL−CNHC bond with a low activation barrier. Furthermore, the synthetic potential of 1‐E is demonstrated by the synthesis and full characterization of the unprecedented NHC‐supported bromogermynes BrGe=C(EBr2Tbb)(NHC) (2‐SiGe: E=Si; 2‐GeGe: E=Ge).
Effect of acrylic acid on water‐whitening resistance of polyacrylate latex films and its mechanism
Authors: Xie Huarong , Wu Xuanhan , Huang He
Published: February 2024

Two groups of polyacrylate latexes with higher (21 ~ 35 °C) or lower (−33 ~ −43 °C) glass transition temperatures (Tg) were prepared by adjusting the monomer ratio of butyl acrylate (BA) and styrene (St), and the effect of acrylic acid (AA) on water‐whitening resistance of these latex films was investigated. It was found that the water‐whitening resistance of the two groups of latex films was different. With the increase of AA content, the water whitening resistance of the latex films with higher Tg continued to improve, while that of the latex films with lower Tg increased first and then decreased. A series of characterizations, such as light transmittance, water whitening, water absorption, static water contact angle, surface morphology, and optical microscope test of the latex film, and so forth, showed that the reason for this difference was that under higher AA content (≥5%), compared with the polyacrylate latex films with lower Tg, the latex films with higher Tg could reach the saturation state of water absorption quickly, and water in these latex films exhibited continuous and large area distribution, rather than formation of many so‐called micro‐ or nano‐scale water sacs that can scatter light as found in the latex films with lower Tg.
Of mice (dogs, horses, sheep) and men: A novel comparative anatomy dissection course in a United Kingdom university
Authors: Johnson Craig I. , Hyde Lucy E. , Cornwall Thomas , Spear Michelle
Published: February 2024

At the University of Bristol, we established a novel dissection course to complement our anatomy degree. Students enrolled in this undergraduate course are trained as comparative anatomists, with equal time given to both human and veterinary anatomy. Historically, students opted to dissect either human or veterinary donors as part of the course. To fully reflect the comparative nature of the degree, the dissection course was redesigned so students could dissect both human and veterinary specimens as part of the same course. This facilitated a wide‐ranging experience of anatomy, encouraging detailed knowledge of a multitude of species and allowing for multifaceted anatomy graduates to be ready for employment in a wide and competitive job market. Across three iterations of the amended version of the course, median marks ranged from 58.7% to 62.0%, with between 22 and 39 students enrolled. In comparison to the course prior to the introduction of the change, median marks ranged from 59.8% to 62.8%, with between 16 and 24 students enrolled. There was no significant difference between marks before or after the introduction of the concurrently comparative aspect. This paper describes the course, with learning materials and assessments considered, along with some reflection on its value. The course offers benefits to students by widening their perspective on anatomical knowledge and making them more equipped for the job market. It also broadens their understanding of form‐function relationships. However, student feedback implied that having the choice between human or veterinary dissection was preferable, and this may outweigh the perceived benefits of the course.
On potential equations of finite symmetric games
Authors: Wang Yanfei , Li Yiliang , Feng Jun‐e
Published: February 2024

In this paper, potential equations of finite symmetric games are proposed to verify whether a symmetric game is potential or not. Some simpler verification conditions allowing a finite symmetric game to be a potential game are presented, along with a minimum number of verification equations. The obtained verification method is extended to other types of symmetric games, such as weighted symmetric games and skew‐symmetric games. Finally, two illustrative examples are given to demonstrate the effectiveness of the theoretical results.
Effect of varicella‐zoster virus infection and antiviral treatment on the risk for dementia: A meta‐analysis of observational studies
Authors: Zhu Li‐fei , Hu Chuan‐cai , Mei Yu , Zhu Min‐jing , Ye Ting‐yun
Published: February 2024

Background and purpose:

There is increasing evidence to support a role for human herpes viruses in the development of neurodegenerative disorders; however, the association between varicella‐zoster virus (VZV) infection and dementia, and the effect of antiviral therapy on the risk for dementia remain unclear.

Methods

We searched PubMed, Embase, and the Cochrane Library databases from their dates of inception to May 2023. Odds ratios (ORs) with 95% confidence intervals (CIs) served as indicators of effect sizes in evaluations of the effect of VZV infection and antiviral treatment on dementia risk. Subgroup analyses based on study design, study location, diagnostic criteria of dementia, and VZV subtype classification were also performed.

Results

A total of 10 studies with 316,846 dementia cases were included in the meta‐analysis. We found that any VZV infection (OR: 1.04, 95% CI: .97–1.12; p = .22), herpes zoster (HZ) (OR: 1.05, 95% CI: .96–1.13; p = .28), or HZ involving the cranial nerves (OR: 1.36, 95% CI: .76–2.43; p  =  .304) was not associated with an increased risk of dementia. The results of subgroup analyses were consistent with these findings. However, patients infected with VZV who received antiviral treatment had a lower OR than untreated patients infected with VZV. Compared to individuals not infected with VZV, antiviral therapy in those infected with VZV was associated with reduced risk for dementia.

Conclusion

The association between VZV infection and dementia may be masked by antiviral treatment. Further studies with longer follow‐up times that consider the severity of VZV infection and antiviral treatment are needed to clarify the contribution of VZV infection to the risk for dementia.
Electrochemical activity of 3d transition metal ions in polyanionic compounds for sodium‐ion batteries
Authors: Jiang Shikang , Wang Hanlin , Wang Ting , Zhou Limin , Xia Hui , Liu Hua‐Kun , Dou Shi‐Xue , Chen Mingzhe
Published: February 2024

Sodium‐ion batteries are expected to replace lithium‐ion batteries in large‐scale energy storage systems due to their low cost, wide availability, and high abundance. Polyanionic materials are considered to be the most promising cathode materials for sodium‐ion batteries because of their cycling stability and structural stability. However, limited by its poor electronic conductivity, the electrochemical performance needs to be further improved. This paper reviews the characterization and development of 3d transition metal ions polyanionic compounds, along with the summarized effect of structure and particle size on the performance and improvement of electrochemical properties. Meanwhile, crystal structure modulation, transition metal ion choice, and transition metal ion doping can improve the electrochemical performance and energy density of polyanionic compounds. Finally, this review points out the challenges of polyanionic compounds and puts forward some particular standpoints, contributing to the promising development of polyanionic compounds in the large‐scale energy storage market.
Hirsutinolide‐ and Cadinanolide‐type Sesquiterpene Lactones from Lessingianthus rubricaulis (Vernonieae, Asteraceae)
Authors: Colhado Arêas Drielli Rhiane P. , Porto Carla , Cabral Márcia R. P. , Ramos Anderson V. G. , Peixoto Juliana L. B. , Barrotto do Carmo Marta R. , da Costa Willian F. , Baldoqui Debora C. , Sarragiotto Maria Helena
Published: February 2024

Sesquiterpene lactones are an important class of secondary metabolites frequently isolated from Lessingianthus genus that present a variety of biological properties, such as antimalarial, anti‐inflammatory, antileishmanial, antitrypanosomal and anticancer. The limited phytochemical studies and the importance of this class of compounds isolated from Lessingianthus led us to study this genus. In this work, we focused on the phytochemical investigation and dereplication based on UHPLC‐HRMS/MS and molecular networking of L. rubricaulis. Chemical investigation resulted in the isolation of several hirsutinolide‐type sesquiterpene lactones including a new hirsutinolide derivative, 8,10α‐hydroxy‐1,13‐bis‐O‐methylhirsutinolide, besides a cadinanolide and flavonoids. The dereplication study resulted in the identification of three known flavonoids, six known hirsutinolides and two known cadinanolides. Moreover, a fragmentation pathway for cadinanolide‐type sesquiterpene lactones was proposed. These results contribute to chemotaxonomic studies and demonstrates the potential of Lessingianthus genus.
Cecal volvulus following appendectomy in a teenage patient: A case report
Authors: Khanal N. , Subedi R. , Shrestha N. , Pradhan S. B. , Shah P. , Shrestha S. , Wagle S.
Published: February 2024

Key Clinical Message

Patients mimicking appendicitis symptoms in a rural setting or those post‐appendectomy, indicating cecal volvulus, should always be considered. Swift action can prevent catastrophic consequences.

We present a case of a 14‐year‐old female who initially underwent open appendectomy for acute appendicitis and subsequently experienced symptoms of abdominal distention, vomiting, and fever. Her condition deteriorated following the appendectomy, despite a prior appendectomy for similar symptoms at a different facility. A computed tomography (CT) scan identified cecal volvulus as the underlying issue. This led to the performance of a laparotomy, cecopexy, and decompressive ileostomy. After six weeks, ileostomy closure was successfully carried out, and the patient currently enjoys good health. This case highlights the significance of considering uncommon factors as potential contributors to postoperative complications in young patients.
Operating Behavior of Pulse Jet‐Cleaned Filters Regarding Energy Demand and Particle Emissions – Part 2: Modeling
Authors: Bächler Peter , Meyer Jörg , Dittler Achim
Published: February 2024

Baghouse filters applied for gas cleaning are subject to digitalization concepts, including process modeling and the development of digital twins in order to improve energy efficiency and lower particle emissions. Modeling equations from literature were adapted to match experimental data from part 1 of this study to calculate the effect of varying filter face velocities, dust concentrations, or tank pressures on energy demand and particle emissions. Based on the model approaches, an operation curve that enables the evaluation of filter operation regarding the trade‐off between energy demand and particle emissions can be constructed. The identification of energetically optimal cycle times and favorable operation regions is possible due to the extensive experimental framework of the model.
Frontex goes global: A two‐level experimentalist governance analysis of Frontex's international action and its role within the externalisation of EU borders
Authors: Zhong Yichen , Carrapico Helena
Published: February 2024

The European Border and Coast Guard Agency (Frontex) has progressively expanded its international footprint by collaborating with non‐European Union (EU) partners to enhance the management and security of the EU's external borders. This article examines the development of Frontex's external relations through a two‐level experimentalist governance lens and considers its impact on the EU's externalisation policy. The article contends that Frontex has enhanced its international profile in a context where EU policy actors' allocated goals have remained vague. The agency has had considerable autonomy in implementing these goals and has actively broadened its operational scope. The accountability dimension of Frontex's external relations, however, remains an important concern. To address this challenge, the article advocates greater transparency and disclosure, along with increased parliamentary and public oversight of Frontex.
Electrochemical Dearomatizing Methoxylation of Phenols and Naphthols: Synthetic and Computational Studies
Authors: Tomczyk Ireneusz , Kalek Marcin
Published: February 2024

The electrochemical oxidative dearomatizing methoxylation of phenols and naphthols was developed. It provides an alternative route for the preparation of methoxycyclohexadienones, important and versatile synthetic intermediates, that eliminates the need for stoichiometric high‐energy chemical oxidants and generates hydrogen as a sole by‐product. The reaction proceeds in a simple constant current mode, in an undivided cell, and it employs standardized instrumentation. A collection of methoxycyclohexadienones derived from various 2,4,6‐tri‐substituted phenols and 1‐substituted‐2‐naphthols was obtained in moderate to excellent yields. These include a complex derivative of estrone, as well as methoxylated dearomatized 1,1′‐bi‐2‐naphthols (BINOLs). The mechanism of the reaction was subject to profound investigations using density functional theory calculations. In particular, the reactivity of two key intermediates, phenoxyl radical and phenoxenium ion, was carefully examined. The obtained results shed light on the pathway leading to the desired product and rationalize experimentally observed selectivities regarding a side benzylic methoxylation and the preference for the functionalization at theparaover theorthoposition. They also uncover the structure‐selectivity relationship, inversely correlating the steric bulk of the substrate with its propensity to undergo the side‐reaction. Moreover, the loss of stereochemical information from enantiopure BINOL substrates during the reaction is rationalized by the computations.
Mit Hochdruck zu Gold
Authors: Lehmann Friedrich , Kauer Henriette , Rammholdt Max , Stalling Simon
Published: February 2024

Bei der 18. Ausgabe des internationalen ChemCar‐Wettbewerbs, bei dem Studierende von Universitäten aus aller Welt ihre chemisch betriebenen Fahrzeuge gegeneinander antreten lassen, konnte sich das Team aus Berlin mit ihrem ChemCar RonnyV5, erstmalig gegen die Konkurrenz durchsetzen. Teilgenommen haben die Mannschaften DOppertunity der TU Dortmund, HyFuel AC der RWTH Aachen und die Reactics von der indonesischen Universität Gadjah Mada.
Kosteneffiziente und nachhaltige Dual‐Ionen‐Batterien
Authors: Jost Birgit
Published: February 2024

Neue Dual‐Ionen‐Batterien (DIB) eignen sich als wiederaufladbare stationäre Energiespeicher, die für die Zwischenspeicherung regenerativ erzeugter Energie dringend benötigt werden. Die im BMBF‐Projekt TransDIB entwickelten DIB werden vollständig aus in Deutschland verfügbaren Ressourcen hergestellt, was Deutschland autarker von kritischen Rohstoffquellen macht. Die DIB sind gut recycelbar, kostengünstig und das wässrige Elektrolytsystem macht sie umweltfreundlich und sicher.
Hochtemperatur‐Wärmepumpe für die Industrie
Authors: Mück Andreas
Published: February 2024

Hochtemperatur‐Wärmepumpen können ungenutzte Abwärme aus Produktionsprozessen recyceln und daraus Prozesswärme in Form von Dampf und Heißwasser mit Temperaturen bis 200°C erzeugen. Industrie‐Wärmepumpen steigern so die Energieeffizienz und senken den CO2‐Ausstoßes.
Targeting peptide based therapeutics: Integrated computational and experimental studies of autophagic regulation in host‐parasite interaction
Authors: Guhe Vrushali , Singh Shailza
Published: February 2024

Cutaneous leishmaniasis caused by the intracellular parasiteLeishmania major, exhibits significant public health challenge worldwide. With limited treatment options available, the identification of novel therapeutic targets is of paramount importance. Present study manifested the crucial role of ATG8 protein as a potential target in combatingL. majorinfection. Using machine learning algorithms, we identified non‐conserved motifs within the ATG8 inL. major. Subsequently, a peptide library was generated based on these motifs, and three peptides were selected for further investigation through molecular docking and molecular dynamics simulations. Surface Plasmon Resonance (SPR) experiments confirmed the direct interaction between ATG8 and the identified peptides. Remarkably, these peptides demonstrated the ability to cross the parasite membrane and exert profound effects onL. major. Peptide treatment significantly impacted parasite survival, inducing alterations in the cell cycle and morphology. Furthermore, the peptides were found to modulate autophagosome formation, particularly under starved conditions, indicating their involvement in autophagy regulation withinL. major. In vitrostudies revealed that the selected peptides effectively decreased the parasite load within the infected host cells. Encouragingly,in vivoexperiments corroborated these findings, demonstrating a reduction in parasite burden upon peptide administration. Additionally, the peptides were observed to affect the levels of LC3II, a known autophagy marker within the host cells. Collectively, our findings highlight the efficacy of these novel peptides in targetingL. majorATG8 and disrupting parasite survival, wherein P2 is showing prominent effect onL. majoras compared to P1. These results provide valuable insights into the development of innovative therapeutic strategies against leishmaniasis.
Application of Amorphous‐Crystalline Coupling Materials in Electrocatalysis
Authors: Wang Xinyu , Yu Xu , He Pinyi , Qin Fu , Yao Yongkang , Ren Lili
Published: February 2024

Interface engineering has proven to be a highly efficient strategy for modulating the physicochemical properties of electrocatalysts and further enhancing their electrochemical performance in related energy applications. In this context, the newly proposed crystalline‐amorphous (c‐a) heterostructures with unusual atomic arrangements at interfaces show strong competitiveness. Nonetheless, few efforts have been made to reveal and summarize the structure‐activity relationship at the two‐phase interface and the corresponding electrocatalytic mechanism. This concept is devoted to comprehensively discussing the fundamental characteristics of crystalline‐amorphous electrocatalysts and their application in the field of energy conversion with typical examples. In addition, the development prospects and opportunities of crystalline‐amorphous heterostructure are summarized to provide potential development directions for other types of clean energy development.
Modulation of Metal Homeostasis for Cancer Therapy
Authors: Yang Ying , Fan Huanhuan , Guo Zijian
Published: February 2024

Metal ions such as iron, zinc, copper, manganese, and calcium are essential for normal cellular processes, including DNA synthesis, enzyme activity, cellular signaling, and oxidative stress regulation. When the balance of metal homeostasis is disrupted, it can lead to various pathological conditions, including cancer. Thus, understanding the role of metal homeostasis in cancer has led to the development of anti‐tumor strategies that specifically target the metal imbalance. Up to now, diverse small molecule‐based chelators, ionophores, metal complexes, and metal‐based nanomaterials have been developed to restore the normal balance of metals or exploit the dysregulation for therapeutic purposes. They hold great promise in inhibiting tumor growth, preventing metastasis, and enhancing the effectiveness of existing cancer therapies. In this review, we aim to provide a comprehensive summary of the strategies employed to modulate the homeostasis of iron, zinc, copper, manganese, and calcium for cancer therapy. Their modulation mechanisms for metal homeostasis are succinctly described, and their recent applications in the field of cancer therapy are discussed. At the end, the limitations of these approaches are addressed, and potential avenues for future developments are explored.
Repurposing Kraft black Liquor as Reductant for Enhanced Lithium‐Ion Battery Leaching
Authors: Carreira Ana R. F. , Nogueira André F. M. , Rocha Inês L. D. , Sosa Filipe , da Costa Lopes André M. , Passos Helena , Schaeffer Nicolas , Coutinho João A. P.
Published: February 2024

The economic advantages of H2SO4 make it the acid of choice for the hydrometallurgical treatment of waste lithium‐ion batteries (LIBs). However, to facilitate the full dissolution of the higher valency metal oxides present in the cathode black mass, a suitable reducing agent is required. Herein, the application of industrial black liquor (BL) obtained from the Kraft pulping for papermaking is investigated as a renewable reducing agent for the enhanced leaching of transition metals from LIB powder with H2SO4. The addition of acidified BL to H2SO4 significantly improved the leaching efficiency for a range of LIB cathode chemistries, with the strongest effect observed for manganese‐rich active material. Focusing on NMC111 (LiMnxCoyNizO2) material, a linear correlation between the BL concentration and the leaching yield of Mn was obtained, with the best overall leaching efficiencies being achieved for 2.0 mol L−1 H2SO4 and 50 vol % of BL at 353 K. A quasi‐total degradation of oxygenated and aromatic groups from the BL during NMC111 dissolution was observed after leaching, suggesting that these chemical groups are essential for LIB reduction. Finally, the leached transition metals could be easily recovered by pH adjustment and oxalic acid addition, closing the resource loop and fostering resource efficiency.
Bazedoxifene analogs as potential WDHD1 degraders and antitumor agents: Synthesis, evaluation and molecular dynamics simulation studies
Authors: Chen Leyuan , Liu Gaiting , Meng Fancui , shi Yu , Fang Zhennan , Peng Zhenyu , Wang Manjiang , Gou Wenfeng , Hou Wenbin , Li Yiliang
Published: February 2024

DNA repair is strongly associated with tumor resistance to radiotherapy and chemotherapy. WD repeat and HMG‐box DNA binding protein 1 (WDHD1) is a key adaptor for homologous recombination repair of DNA, and its overexpression is relevant to the poor prognosis of many tumor patients. We previously have identified and validated bazedoxifene (BZA), which had 60% inhibitory rate on WDHD1 in MCF7 cells at 10 μM, from the Food and Drug Administration‐approved compound library. Here, we initially established the binding model of BZA, synthesized and evaluated eight BZA analogs. Further, we detailed the use of molecular dynamics simulations to provide insights into the basis for activity against WDHD1. This binding mode will be instructive for the development of new WDHD1 degraders.
Muscle‐to‐fat ratio in children and adolescents with type 1 diabetes in predicting glycaemic control and partial clinical remission
Authors: Averbuch Shay , Yackobovitch‐Gavan Michal , Ben Simon Asaf , Interator Hagar , Lopez Adar , Borger Ophir , Laurian Irina , Dorfman Anna , Chorna Efrat , Oren Asaf , Eyal Ori , Brener Avivit , Lebenthal Yael
Published: February 2024

Background

Advances in treatment could mitigate the expected adverse changes in the body composition of children and adolescents with type 1 diabetes (T1D).

Objectives

To examine the evolution of weight status and body composition and their association with glycaemic control and partial clinical remission in youth with T1D.

Methods

Ninety‐nine participants with T1D (median age 9.5 years [interquartile range 7.3, 12.9], 59.6% boys) were longitudinally followed for 3 years since diagnosis. Data at seven pre‐determined time points were extracted from medical files. Outcome measures included body mass index (BMI) z‐scores, muscle‐to‐fat ratio (MFR) z‐scores, haemoglobin A1c (HbA1c) levels, continuous glucose monitoring metrics, and insulin dose‐adjusted HbA1c (IDAA1c) levels.

Results

The BMI z‐scores increased significantly (p < 0.001) for both sexes, with no significant change in MFR z‐scores over time. The girls had higher BMI z‐scores (p < 0.001) and lower MFR z‐scores than the boys (p = 0.016). The mean HbA1c levels decreased during the first month and at 3 months since diagnosis (p < 0.001), then plateaued and achieved a median overall HbA1c of 7.1% for the entire cohort. At 12 months, 37 participants (37.6%) were in partial clinical remission, as evidenced by IDAA1c ≤ 9. The odds of partial clinical remission at 2 years increased by 2.1‐fold for each standard deviation increase in the MFR z‐score (p < 0.001). Higher MFR z‐scores were associated with better metabolic control.

Conclusions

Integration of body composition assessments could mitigate adverse body changes in paediatric patients with T1D.
MicroRNAs are associated with cardiac biomarkers, cardiac structure and function and incident outcomes in heart failure
Authors: Spahillari Aferdita , Jackson Laurel , Varrias Dimitrios , Michelhaugh Sam A. , Januzzi James L. , Shahideh Bobby , Daghfal David , Valkov Nedyalka , Murtagh Gillian , Das Saumya
Published: February 2024

Aims

The association between microRNAs (miRNAs) and established cardiac biomarkers is largely unknown. We aimed to measure the association between plasma miRNAs and N‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP), cardiac troponin I, soluble urokinase‐type plasminogen activator receptor (suPAR), and galectin‐3 with cardiac structure and function and clinical outcomes.

Methods and results

We quantified 32 plasma miRNAs using the FirePlex miRNA assay and measured biomarkers in 139 individuals with symptomatic heart failure (HF). We used principal component (PC) analysis and linear regression to evaluate the association between miRNAs and biomarkers with ventricular size and function by echocardiography and Cox modelling for the incidence of a first composite event of HF hospitalization, heart transplant, left ventricular assist device implant, or death. The mean (standard deviation) age at baseline was 64.3 (12.4) years, 33 (24%) were female, and 122 (88%) were White. A total of 45 events occurred over a median follow‐up of 368 (interquartile range 234, 494) days. Baseline NT‐proBNP (β = −2.0; P = 0.001) and miRNA PC2 (β = 2.6; P = 0.002) were associated with baseline left ventricular ejection fraction. NT‐proBNP (β = 20.6; P = 0.0004), suPAR (β = −39.6; P = 0.005), and PC4 (β = 21.1; P = 0.02) were associated with baseline left ventricular end‐diastolic volumes. NT‐proBNP [hazard ratio (HR) 1.67, 95% confidence interval (CI) 1.28–2.18, P = 0.0002], galectin‐3 (HR 2.02, 95% CI 1.05–3.91, P = 0.036), PC3 (HR 1.75, 95% CI 1.23–2.49, P = 0.002), and PC4 (HR 1.67, 95% CI 1.1–2.52, P = 0.016) were independently associated with incident events.

Conclusions

Biomarkers and miRNA PCs are associated with cardiac structure and function and incident cardiovascular outcomes. Combining information from miRNAs provides prognostic information beyond biomarkers in HF.
Survival outcomes of TAVR and self‐expanding versus balloon‐expandable valves in patients with advanced cardiac dysfunction
Authors: Matta Anthony , Lhermusier Thibault , Ohlmann Patrick , Laszlo Levai , Nader Vanessa , Parada Francisco Campelo , Elbaz Meyer , Roncalli Jerome , Carrié Didier
Published: February 2024

Aims

There is a growing body of literature on long‐term outcomes post‐transcatheter aortic valve replacement (TAVR), but to our knowledge, few research have focused on patients with advanced cardiac dysfunction. This challenging category of patients was excluded from the Partner 3 clinical trial. There are no data to guide the choice of valve type in patients with severely depressed ejection fraction. This study evaluates the safety, efficacy, and outcomes of TAVR in patients with severe aortic stenosis and left ventricular ejection fraction (LVEF) ≤ 35%. It compares post‐TAVR survival outcomes with self‐expanding (SEV) versus balloon‐expandable (BEV) valves in the context of cardiac dysfunction.

Methods and results

A retrospective cohort was conducted on 977 patients who underwent TAVR at Toulouse University Hospital between January 2016 and December 2020. The study population included two groups: LVEF ≤ 35% (N = 157) and LVEF ≥ 50% (N = 820). The group of LVEF ≤ 35% was divided into two subgroups according to the type of implanted device: self‐expanding (N = 66) versus balloon‐expandable (N = 91). The living status of each of study's participants was observed in December 2022. Patients with low ejection fraction were younger (82 vs. 84.6 years) and commonly males (71.3% vs. 45.6%). Procedural success was almost 98% in both study groups (97.5% vs. 97.9%). The prevalence of all in‐hospital post‐TAVR complications [acute kidney injury (3.8% vs. 2.2%), major bleeding events (2.5% vs. 3.2%), stroke (1.3% vs. 1.6%), pacemaker implantation (10.2% vs. 10.7%), major vascular complication (4.5% vs. 4.5%), new onset atrial fibrillation (3.2% vs. 3.4%), and in‐hospital death (3.2% vs. 2.8%)] were similar between groups (LVEF ≤ 35% vs. LVEF ≥ 50%). No difference in long‐term survival has been revealed over 3.4 years (P = 0.268). In patients with LVEF ≤ 35%, except for post‐TAVR mean aortic gradient (7.8 ± 4.2 vs. 10.2 ± 3.6), baseline and procedural characteristics were comparable between SEV versus BEV subgroups. An early improvement in LVEF (from 29.2 ± 5.5 to 37.4 ± 10.8) was observed. In patients with LVEF ≤ 35%, the all‐cause mortality rate was significantly higher in BEV than that in SEV subgroups, respectively (40.7% vs. 22.7%, P = 0.018). Kaplan–Meier curve showed better survival outcomes after SEV implantation (P = 0.032). A Cox regression identified BEV as independent predictor of mortality [HR = 3.276, 95% CI (1.520–7.060), P = 0.002].

Conclusions

In the setting of low LVEF, TAVR remains a safe and effective procedure not associated with an increased risk of complications and mortality. SEV implantation may likely result in superior survival outcomes in patients with advanced cardiac dysfunction.
Non‐dilated left ventricular cardiomyopathy vs. dilated cardiomyopathy: clinical background and outcomes
Authors: Eda Yuko , Nabeta Takeru , Iikura Saeko , Takigami Yu , Fujita Teppei , Iida Yuichiro , Ikeda Yuki , Ishii Shunsuke , Ako Junya
Published: February 2024

Aims

Non‐dilated left ventricular cardiomyopathy (NDLVC) was proposed as a new category of cardiomyopathy that included patients with non‐left ventricular (LV) dilatation, LV wall motion abnormality, or LV scar. However, the clinical background and event rates of NDLVC were unclear. The aim of this study was to examine the characteristics and event rates of patients with NDLVC and reduced LV ejection fraction (NDLVC–REF) in comparison with those with dilated cardiomyopathy (DCM).

Methods and results

We retrospectively included 363 patients with newly diagnosed non‐ischaemic cardiomyopathy and reduced LV ejection fraction (<50%) between December 2004 and January 2018. Patients who did not have LV dilatation (LV dimension index of ≦31 mm/m2 in men and ≦34 mm/m2 in women) were categorized as NDLVC–REF (n = 80, 22.2%), and the remaining patients were categorized as DCM. Cardiac events were defined as sudden cardiac death and rehospitalization for heart failure. Patients with NDLVC–REF had a higher prevalence of atrial fibrillation and a higher LV ejection fraction than those with DCM at baseline. LV ejection fraction was higher and LV end‐diastolic diameter was smaller in patients with NDLVC–REF than in those with DCM at all time points after diagnosis. During the median follow‐up period of 68.8 months (interquartile range: 33.0–93.7 months), 44 patients experienced cardiac events. The Kaplan–Meier curves showed no significant differences in the probability of cardiac events among NDLVC–REF and DCM patients (P = 0.349). However, patients with NDLVC–REF and LV dilatation after diagnosis (14%) had a higher risk of cardiac events than those with NDLVC–REF without LV dilatation (P = 0.049).

Conclusions

There was no significant difference in the incidence of cardiac events between NDLVC–REF and DCM. Among NDLVC–REF patients, 18% of patients who showed LV dilatation after diagnosis had poor outcomes. Therefore, both NDLVC–REF and DCM patients may require equivalent attention to follow‐up and regular assessment of LV function.
Redox Reactivity Control Through Electromerism
Authors: Osterbrink Johanna , Dos Santos Fabricio , Kaifer Elisabeth , Himmel Hans‐Jörg
Published: February 2024

In this work, we demonstrate that electromerism could be used to regulate the redox reactivity. Electron self‐exchange rates kex were measured for a series of diamagnetic, monocationic CuI complexes with two redox‐active diguanidine ligands and the corresponding paramagnetic, dicationic complexes. The electronic structures of the paramagnetic, dicationic complexes differ. Some complexes are exclusively present as CuII complexes with reduced, neutral diguanidine ligands. In other complexes, an equilibrium is established between the CuII electromer and the CuI electromer with the unpaired electron delocalized on the two partially‐oxidized ligands. For these complexes, the kex values increase with increasing contribution of the CuI electromer. One of the dicationic molecules is exclusively present as CuI complex with radical ligands in dichloromethane at room temperature, and as CuII electromer with neutral ligands at 200 K. Consequently, the electron self‐exchange rate kex is maximal at room temperature, and strongly decreases with decreasing temperature. The temperature effect is much stronger than for similar complexes that remain in the CuII form at all temperatures, demonstrating the use of electromerism to control the redox reactivity on a large scale.
The impact of baffle and taper channel tilt angle on the output performance of proton‐exchange membrane fuel cells
Authors: Cheng Tiancai , Liu Qiang , Jiang Guangjun , Zhao Qi , Mu Dongming
Published: February 2024

The performance and durability of proton‐exchange membrane fuel cells (PEMFCs) are constrained by fuel delivery and water management. Based on parallel and serpentine flow fields, the effects of triangular baffles (30°, 45°, and 60°) and conical runners (1°, 2°, and 3°) on the performance output of PEMFC at different angles are studied. The three‐dimensional and multi‐phase models are established by using the simulation software package (ANSYS FLUENT). The findings demonstrate that the battery's output performance reaches its peak when the baffle angle is set at 45°. When the output current density is 0.7 A/cm2, the power density of the 45° baffle increases by 18.87%. The pressure loss is not only lower than that of the 60° baffle but also exhibits no significant difference when compared to the 30° baffle. In addition, the introduction of conical channels has enhanced the output performance of PEMFCs in comparison to the traditional serpentine flow field. The power density of the 2°tapered channel exhibits a 12.65% increase when the output current density reaches 0.8 A/cm2. However, the performance output of the 3°tapered channel is inferior to that of the conventional serpentine flow field.
Estimating cortical thickness trajectories in children across different scanners using transfer learning from normative models
Authors: Gaiser C. , Berthet P. , Kia S. M. , Frens M. A. , Beckmann C. F. , Muetzel R. L. , Marquand Andre F.
Published: February 2024

This work illustrates the use of normative models in a longitudinal neuroimaging study of children aged 6–17 years and demonstrates how such models can be used to make meaningful comparisons in longitudinal studies, even when individuals are scanned with different scanners across successive study waves. More specifically, we first estimated a large‐scale reference normative model using Hierarchical Bayesian Regression fromN = 42,993 individuals across the lifespan and from dozens of sites. We then transfer these models to a longitudinal developmental cohort (N = 6285) with three measurement waves acquired on two different scanners that were unseen during estimation of the reference models. We show that the use of normative models provides individual deviation scores that are independent of scanner effects and efficiently accommodate inter‐site variations. Moreover, we provide empirical evidence to guide the optimization of sample size for the transfer of prior knowledge about the distribution of regional cortical thicknesses. We show that a transfer set containing as few as 25 samples per site can lead to good performance metrics on the test set. Finally, we demonstrate the clinical utility of this approach by showing that deviation scores obtained from the transferred normative models are able to detect and chart morphological heterogeneity in individuals born preterm.