bluuebunny/crossref_metadata_2025 huggingface dataset:
The sensitivity of warm period precipitation forecasts to various modifications of the Kain-Fritsch Convective Parameterization scheme
Authors: Mazarakis N. , Kotroni V. , Lagouvardos K. , Argiriou A. A. , Anderson C. J.
Published: May 2011

Abstract. The sensitivity of quantitative precipitation forecasts to various modifications of the Kain-Fritsch (KF) convective parameterization scheme (CPS) is examined for twenty selected cases characterized by intense convective activity and widespread precipitation over Greece, during the warm period of 2005–2007. The study is conducted using the MM5 model with a two nested domains strategy, with horizontal grid increments of 24 and 8 km, respectively. Five modifications to the KF CPS, each designed to test the sensitivity of the model to the convective scheme formulation, are discussed. The modifications include: (i) the maximization of the convective scheme precipitation efficiency, (ii) the change of the convective time step, (iii) the forcing of the convective scheme to produce more/less cloud material, (iv) changes to the trigger function and (v) the alteration of the vertical profile of updraft mass flux detrainment. The simulated precipitation from the 8-km grid is verified against raingauge measurements. Although skill scores vary widely among the cases and the precipitation thresholds, model results using the modifications of the convective scheme show improvements in 6-h precipitation totals compared to simulations generated using the unmodified convective scheme. In general, forcing the model to produce less cloud material improves the precipitation forecast for the moderate and high precipitation amounts, while the same modification and the change of the convective time step to 1 min has the same result for the high precipitation thresholds. The increase of convective time step to 15 min, the maximization of precipitation efficiency and the changes to the trigger function give similar results for medium and high precipitation. On the other hand, the forecast for the light precipitation is improved by forcing the model to produce more cloud material as well as by the alteration of the vertical profile of updraft mass flux detrainment.
Positive geothermal anomalies in oceanic crust of Cretaceous age offshore Kamchatka
Authors: Delisle G.
Published: May 2011

Abstract. Heat flow measurements were carried out in 2009 offshore Kamchatka during the German-Russian joint-expedition KALMAR. An area with elevated heat flow in oceanic crust of Cretaceous age – detected ~30 years ago in the course of several Russian heat flow surveys – was revisited. One previous interpretation postulated anomalous lithospheric conditions or a connection between a postulated mantle plume at great depth (> 200 km) as the source for the observed high heat flow. However, the positive heat flow anomaly – as our bathymetric data show – is closely associated with the fragmentation of the western flank of the Meiji Seamount into a horst and graben structure, initiated during descend of the oceanic crust into the subduction zone offshore Kamchatka. This paper offers an alternative interpretation, which connects high heat flow primarily with natural convection of fluids in the fragmented rock mass and, as a potential additional factor, high rates of erosion, for which evidence is available from our collected bathymetric image. Given high erosion rates, warm rock material at depth rises to nearer the sea floor, where it cools and causes temporary elevated heat flow.
Investigating changes in basal conditions of Variegated Glacier prior and during its 1982–1983 surge
Authors: Jay-Allemand M. , Gillet-Chaulet F. , Gagliardini O. , Nodet M.
Published: May 2011

Abstract. The Variegated Glacier (Alaska) is known to surge periodically after a sufficient amount of cumulative mass balance is reached, but this observation is difficult to link with changes in the basal conditions. Here, using a 10-year dataset, consisting in surface topography and surface velocity observations along a flow line for 25 dates, we have reconstructed the evolution of the basal conditions prior and during the 1982–1983 surge. The model solves the full-Stokes problem along the central flow line using the finite element method. For the 25 dates of the dataset, the basal friction parameter distribution is inferred using the inverse method proposed by Arthern and Gudmundson (2010). This method is here slightly modified by incorporating a regularisation term in the cost function to avoid short wave length changes in the friction parameter. Our results indicate that dramatic changes in the basal conditions occurred between 1973 to 1983. Prior to the surge, periodical changes can be observed between winter and summer, with a regular increase of the sliding from 1973 to 1982. During the surge, the basal friction decreased dramatically and an area of very low friction moved from the upper part of the glacier to its terminus. Using a more complex friction law, these changes in basal sliding are then interpreted in terms of basal water pressure. It confirms that dramatic changes took place in the subglacial drainage system of Variegated Glacier, moving from a relatively efficient drainage system prior to the surge to an inefficient one during the surge. By reconstructing the water pressure evolution at the base of the glacier it is possible to infer realistic scenarios for the hydrological history leading to the occurrence of a surge.
Cooccurrence of Yawning and Stereotypic Behaviour in Horses (Equus caballus)
Authors: Fureix Carole , Gorecka-Bruzda Aleksandra , Gautier Emmanuel , Hausberger Martine
Published: May 2011

Determinants of yawning are still uncertain. As yawning seems to be triggered by stress and emotional contexts, we investigated specific correlates of yawning and stereotypic behaviours in horses. Study 1 investigated correlations in time between yawning and stereotypic behaviour in stereotypic horses from the same facility; study 2, involving riding school horses, investigated the cooccurrence of yawning and stereotypic behaviour at the individual level and in response to environmental factors (feeding time). Results showed that (1) stereotypic horses yawned more than the nonstereotypic horses, (2) yawning increased at the same time periods as stereotypic behaviours did, and (3) yawning frequency was positively correlated with stereotypic behaviour frequencies (study1). Different hypotheses are discussed: direct/indirect causal relationship and other factors susceptible to trigger both yawning and stereotypies. This study, underlining for the first time a cooccurrence of yawning and stereotypic behaviour, opens a promising line of investigation of this puzzling behaviour.
Prof. Doutor Manuel Lopes dos Santos - Pró-Reitor de Extensão da UNIFESP
Authors: Serra Armando Luís , Santos Eduardo , Rossetti e Terezinha Regina Prupere Heloísa Baccaro
Published: May 2011

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Reducing plastic waste in scientific protocols by 65% — practical steps for sustainable research
Authors: Penndorf Patrick
Published: May 2024

Although scientists are generally motivated to adopt sustainable practices in their research, a lack of education is often limiting. Here, I aim to fill this gap by illustrating how to substantially reduce single‐use plastic waste in scientific protocols. This article will outline the translation of the three fundamental principles of reduction, reuse, and miniaturization into experimental practice. The transfection of neurons in sterile conditions will be provided as a concrete example to discuss opportunities for change. Simply by reducing, miniaturizing, and reusing, a decrease in plastic waste of approximately 65% was achieved for exchangeable items. This article demonstrates the feasibility of adopting sustainable practices without compromising workflows or data quality.
A nanoemulsified formulation of dolutegravir and epigallocatechin gallate inhibits HIV‐1 replication in cellular models
Authors: Gaikwad Shraddha Y. , Tyagi Shivani , Seniya Chandrabhan , More Ashwini , Chandane‐Tak Madhuri , Kumar Shobhit , Mukherjee Anupam
Published: May 2024

Nanotechnology offers promising avenues for enhancing drug delivery systems, particularly in HIV‐1 treatment. This study investigates a nanoemulsified formulation combining epigallocatechin gallate (EGCG) with dolutegravir (DTG) for managing HIV‐1 infection. The combinatorial interaction between EGCG and DTG was explored through cellular, enzymatic, and molecular studies. In vitro assays demonstrated the potential of a dual drug‐loaded nanoemulsion, NE‐DTG‐EGCG, in inhibiting HIV‐1 replication, with EGCG serving as a supplementary treatment containing DTG. In silico molecular interaction studies highlighted EGCG's multifaceted inhibitory potential against HIV‐1 integrase and reverse transcriptase enzymes. Further investigations are needed to validate the formulation's efficacy across diverse contexts. Overall, by integrating nanotechnology into drug delivery systems, this study represents a significant advancement in managing HIV‐1 infection.
Levels of circulating tumor DNA correlate with tumor volume in gastro‐intestinal stromal tumors: an exploratory long‐term follow‐up study
Authors: Bleckman Roos F. , Haag Charlotte M. S. C. , Rifaela Naomi , Beukema Gerrieke , Mathijssen Ron H. J. , Steeghs Neeltje , Gelderblom Hans , Desar Ingrid M. E. , Cleven Arjen , ter Elst Arja , Schuuring Ed , Reyners Anna K. L.
Published: May 2024

Patients with gastro‐intestinal stromal tumors (GISTs) undergoing tyrosine kinase inhibitor therapy are monitored with regular computed tomography (CT) scans, exposing patients to cumulative radiation. This exploratory study aimed to evaluate circulating tumor DNA (ctDNA) testing to monitor treatment response and compare changes in ctDNA levels with RECIST 1.1 and total tumor volume measurements. Between 2014 and 2021, six patients with KIT proto‐oncogene, receptor tyrosine kinase (KIT) exon‐11‐mutated GIST from whom long‐term plasma samples were collected prospectively were included in the study. ctDNA levels of relevant plasma samples were determined using the KIT exon 11 digital droplet PCR drop‐off assay. Tumor volume measurements were performed using a semi‐automated approach. In total, 94 of 130 clinically relevant ctDNA samples were analyzed. Upon successful treatment response, ctDNA became undetectable in all patients. At progressive disease, ctDNA was detectable in five out of six patients. Higher levels of ctDNA correlated with larger tumor volumes. Undetectable ctDNA at the time of progressive disease on imaging was consistent with lower tumor volumes compared to those with detectable ctDNA. In summary, ctDNA levels seem to correlate with total tumor volume at the time of progressive disease. Our exploratory study shows promise for including ctDNA testing in treatment follow‐up.
Selective activation of cellular stress response pathways by fumaric acid esters
Authors: Erler Katrin , Krafczyk Niklas , Steinbrenner Holger , Klotz Lars‐Oliver
Published: May 2024

The cellular response to oxidants or xenobiotics comprises two key pathways, resulting in modulation of NRF2 and FOXO transcription factors, respectively. Both mount a cytoprotective response, and their activation relies on crucial protein thiol moieties. Using fumaric acid esters (FAEs), known thiol‐reactive compounds, we tested for activation of NRF2 and FOXO pathways in cultured human hepatoma cells by dimethyl/diethyl as well as monomethyl/monoethyl fumarate. Whereas only the diesters caused acute glutathione depletion and activation of the stress kinase p38MAPK, all four FAEs stimulated NRF2 stabilization and upregulation of NRF2 target genes. However, no significant FAE‐induced activation of FOXO‐dependent target gene expression was observed. Therefore, while both NRF2 and FOXO pathways are responsive to oxidants and xenobiotics, FAEs selectively activate NRF2 signaling.
Robust control strategies applicable to DC–DC converter with reliability assessment: A review
Authors: Gupta Mukur , Gupta Nitin , Garg Man Mohan , Kumar Ajay
Published: May 2024

This paper provides an overview of various control strategies for DC–DC converters along with a brief discussion on various performance indices for evaluating the reliability of designed controller. DC–DC converters are emerging as the fastest‐growing interfacing devices in the world because of their emergent applications in almost all domains of engineering. Notably, the non‐linear behavior of DC–DC converters offers a perplexing problem in designing a robust controller. A robust controller must ensure proper closed‐loop stability with desired performance and reliable control for output voltage regulation in the event of various possible perturbations. This creates the requirement for practically implementable non‐linear controllers that can effectively overlook the drawbacks of linear controllers. The prominence of this composition is based on the expansion in tuning techniques of proportional‐integral‐derivative controller gain parameters using linear strategies and heading towards non‐linear strategies by reviewing 196 research papers. The modification in non‐linear control strategies in terms of their fundamental features associated with key benefits and limitations are comprehensively reviewed. This study mostly revolves around non‐linear internal model control (IMC) strategies for parameter tuning of IMC‐based controllers for various order of plants with an improved degree of freedom.
Impact of Substrate Thickness and Surface Roughness on Al/Ni Multilayer Reaction Kinetics
Authors: Vardo Emina , Sauni Camposano Yesenia Haydee , Matthes Sebastian , Glaser Marcus , Bartsch Heike , Hildebrand Jörg , Bergmann Jean Pierre , Schaaf Peter
Published: May 2024

Reactive multilayers comprising alternating nanoscale layers of Al and Ni exhibit potential across various applications, including localized heating for welding and joining. Control over reaction properties is pivotal for emerging applications, such as chemical time delays or neutralization of biological or chemical weapons. In this research, insights are offered into the intricate interplay between substrate thickness, surface roughness, and the behavior of Al/Ni reactive multilayers, opening avenues for tailored applications in various domains. To observe this interplay, silica with various thicknesses from 0.4 to 1.6 μm is deposited on polished single‐crystalline Si and rough poly‐Si base substrates. Additionally, to analyze the impact of varying silica thickness along the sample length on reaction behavior, silica in steplike shape is fabricated. Subsequently, Al/Ni multilayers with 5 μm total thickness and 20 or 50 nm bilayer periodicities are deposited. Reaction velocity and temperature are monitored with a high‐speed camera and pyrometer. In the results, it is indicated that silica thickness significantly affects self‐propagation in multilayers. The reaction is not self‐sustained for silica layers ≤ 0.4 μm, depending on bilayer periodicity and substrate roughness. The velocity increases or decreases based on the direction of reaction propagation, whether it moves upward or downward, in relation to the thickness of silica.
A Study of Microstructural Tensile and Fatigue Properties Coupled with Digital Image Correlation of Hybrid Manufactured Inconel 718 Parts by Extrusion and Powder Bed Fusion
Authors: Malej Simon , Larsson Joel , Gumpinger Johannes , Brandão Ana , Beevers Emilie , Ghidini Tommaso , Bennett Joe , Patriarca Luca , Abuzaid Wael , Beretta Stefano
Published: May 2024

To overcome challenges associated with additive manufacturing (AM), a combination of AM and conventional manufacturing (CM) can be explored, enabling the production of hybrid structures. Nonetheless, realizing aerospace hybrid structures requires investigation into the process–structure–properties relationships of the AM and CM material and the interface zone between them. Herein, Inconel 718 is deposited onto extruded bars of the same material by powder bed fusion (PBF). The interface zone from the CM zone to the PBF zone is investigated using destructive and nondestructive testing. It is found that fractures during tensile tests occur in the CM zone. The PBF zone proves to be stronger than the CM zone (average yield strength of 1295 and 1167 MPa, respectively). A higher strength of PBF parts is related to the finer microstructure of δ‐phase precipitates and dendrite cell structure. The fatigue limit of the hybrid samples is high (Sa = 305 MPa,R = 0.1). Coupled fatigue and digital image correlation at the highest stress amplitude show distinctive plastic flow dominating the CM zone. In reverse, fracture of hybrid parts at lower stress amplitudes forms preferentially in the PBF zone because of process‐related defects (gas pores and lack of fusion).
Transient Electro‐Graphitization of MOFs Affecting the Crystallization of Ruthenium Nanoclusters for Highly Efficient Hydrogen Evolution
Authors: Karim Golam Masud , Patra Amalika , Deb Sujit Kumar , Upadhya Hemanta , Das Snehasish , Mukherjee Priyam , Ahmad Waleed , Barman Narad , Thapa Ranjit , Dambhare Neha V , Rath Arup Kumar , Das Jaysri , Manna Uttam , Urkude Rajashri R. , Oh Youngtak , Maiti Uday Narayan
Published: May 2024

Fine control over the graphitization level of carbonized nanostructures can play a strategic role in tuning the crystallization of supported nanocatalysts, thereby modulating the kinetics of catalysis. However, realizing the synergistic interplay of graphitization‐tunable support and supported catalysts poses a significant challenge. This study proposes a current pulse‐induced ultrafast strategy for developing MOF‐derived graphitic nano‐leaves (GNL) and supported ultrafine ruthenium nanoclusters exhibiting selective crystallization states depending on the tunable graphitization level of GNL. The resulting ultrafine (≈0.7 nm) amorphous‐ruthenium nanoclusters linked with GNL (a‐Ru@GNL500) exhibit state‐of‐the‐art performance in the hydrogen evolution reaction (HER), requiring very low overpotentials of only 23.0 and 285.0 mV to achieve current densities of 10  and 500 mA cm−2, respectively. Furthermore, a‐Ru@GNL500 demonstrates exceptional operational stability for 100 h under high HER currents of 200 and 400 mA cm−2. Density functional theory reveals that the unique electronic structure of a‐Ru and the cooperative effect of cobalt embedded in the graphitic layer lower the occupancy of the antibonding orbital, resulting in an accelerated HER process. Additionally, the unique electronic structure, highly conducting GNL, and efficient bubble release dynamics of super‐aerophobic a‐Ru@GNL500 contribute to reduced overpotentials, particularly at high HER current densities.
Inflammation‐Activated Endogenous Macrophage‐Mediated Prodrug Delivery System Overcoming Biological Barriers for Enhanced Oral Meningitis Therapy
Authors: Nguyen Van Khanh , Nguyen Nhien , Li Zhe‐Cheng , Cheng Chao‐Min , Wang Jui‐To , Chiang Yu‐Wei , Song Hsiang‐Lin , Lo Shih‐Kai , Mac Cam‐Hoa , Chang Yen , Chia Wei‐Tso , Sung Hsing‐Wen
Published: May 2024

Significant health risks are posed by meningitis due to its rapid progression, and challenges are encountered in intravenous antibiotic administration, especially in crossing the blood‐brain barrier. To address this, an inflammation‐activated, endogenous macrophage (MΦ)‐mediated oral prodrug delivery system is developed for targeted therapeutic interventions in bacterial meningitis treatment. This system is guided by inflammation‐derived chemoattractants and triggers drug release through inflammation‐induced reactive oxygen species (ROS). Comprised of naturally derived β‐glucans conjugated with the antibiotic cefotaxime (CTX) using a ROS‐responsive linker, nanoparticles (βGlus–CTX NPs) are formed in aqueous solutions. In a mouse model of Klebsiella pneumoniae‐induced meningitis, orally administered βGlus–CTX NPs are traversed by intestinal microfold cells, surpassing the intestine‐epithelial barrier, and are absorbed by resident endogenous MΦ. These MΦ‐mediated drug delivery vehicles are then traveled through the lymphatic and circulatory systems, crossing the compromised blood‐brain barrier, ultimately reaching inflamed brain tissues, guided by their derived chemoattractants. In ROS‐rich inflamed tissue environments, the linkers in the βGlus–CTX NPs are cleaved, releasing therapeutic CTX for localized treatment. Targeted antibiotic treatment for bacterial meningitis is offered by this oral, endogenous MΦ‐mediated prodrug delivery system, overcoming the robust gut‐to‐brain biological barriers and potentially enhancing effectiveness for comfortable home‐based treatment.
Polymers of Intrinsic Microporosity Containing [2.2]Paracyclophane Moieties: Synthesis and Gas Sorption Properties
Authors: Li Yuting , Brückel Julian , Jereb Marjan , Zupanc Anže , Hirvonen Sami‐Pekka , Hietala Sami , Kemell Marianna , Wu Yue , Fuhr Olaf , Jansen‐van Vuuren Ross D. , Carta Mariolino , Bräse Stefan
Published: May 2024

The unique structure of [2.2]paracyclophane (PCP) with its rigidity, stability, and planar chirality has gained significant attention in polymer and material research. In this work, the incorporation of amino‐functionalized PCPs within polymers of intrinsic microporosity (PIMs) is reported for the first time. Three different PCP‐PIMs were prepared via a Tröger's base formation mechanism, and their structures characterized via solid‐state NMR, MALDI‐TOF, and SEM. Their porosity was evaluated using gas adsorption (N2 and CO2) based on theoretical calculations such as Brunauer–Emmett–Teller (BET), NLDFT pore size distribution (PSD) and ideal IAST CO2/N2 selectivity (15/85), a crucial separation when considering the capture of CO2 from flue gas. The surface areas were found to be between 200–230 m2 g−1 while the selectivity for CO2/N2 ranged from 46 to 70.
Excellent Foliar Deposition of Cyclodextrin‐Encapsulated Furyl/Thienyl‐Engineered Ingredients: Novel Effective Supramolecular Agrochemicals for Combating Plant Bacterial and Fungal Infections
Authors: Dai Heju , Yang Jinghan , Fan Lijun , Luo Min , Wang Peiyi
Published: May 2024

Repeated epidemics caused by bacterial and fungal diseases pose a threat to global crop yields and food security, therefore, updating the structure of existing microbicides and improving the pesticide bioavailability are challenging tasks, perhaps planning to develop versatile supramolecular antimicrobial materials. Here, a low‐cost multifunctional supramolecular complex, named FT6@β‐CD, is constructed by host‐guest encapsulation of a thienyl‐engineered ingredient (FT6) into β‐cyclodextrin. This integrated architecture can significantly reduce the bounce and splash behaviors of droplets, improve the wetting performance, and eventually acquire excellent foliar deposition and targeted delivery. Whereafter, FT6@β‐CD can inhibit the transcription of type III secretion system (T3SS)‐associated genes, hypersensitive reaction, and final pathogenicity from a destructive pathogen Xanthomonas oryzae pv. oryzae (Xoo). Importantly, at a lower dosage of 200 µg mL−1, FT6@β‐CD presented excellent in vivo control effects (protection 48.1%, curative 50.1%) against Xoo, remarkably better than the commercial bactericidal formulation thiodiazole‐copper. Additionally, other supramolecular antifungal materials (FT24/FT25@HP‐β‐CD/β‐CD/Me‐β‐CD) constructed in this study can effectively treat Botryosphaeria dothidea and Botrytis cinerea with higher control efficiencies of 86.8% and 90.1% at 200 µg mL−1, respectively. This study provides a bright guidance for developing low‐cost, green, and eco‐friendly supramolecular microbicides for controlling agricultural diseases.
Best Practices to Directly Assess Heterogeneous Singlet Oxygen Photosensitization by Phosphorescence
Authors: Schlachter Adrien , Asselin Paul , Chatelain Axel , Harvey Pierre D.
Published: May 2024

Literature proves that the direct detection of 1O2(1Δg) at the solid gas interface is systematically performed from its phosphorescence using high intensity excitation sources (i.e., lasers), which lead to quasi‐ubiquitous chemical problems, such as sensitizer degradation, and photophysical counter‐active issues such as ultrafast exciton migration, singlet‐singlet and triplet‐triplet annihilation, and thermally activated delayed fluorescence mediated by 1O2(1Δg). To avoid these inconveniences, low excitation intensity is required but leads to serious analytical challenges. The best practices to reliably detect 1O2(1Δg) phosphorescence at various interfaces using a standard excitation source and near‐IR detector. The two main practices consist in a gas purging test for reliable identification of 1O2(1Δg), and in a particularly fine optimization of the angle made by excitation beam versus substrate plane. These practices are applied to porphyrin sensitizers H2TPP and ZnTPP, either neat or physiosorbed on glass, quartz, paper and hospital bandages, graphene oxide (GO), and embedded inside electrospun polystyrene fibers and spin coated poly(methyl methacrylate) films. Porphyrin‐based metal‐organic framework PCN‐224, freshly activated, is also examined.
Neuromorphic Computing in Synthetic Antiferromagnets by Spin‐Orbit Torque Induced Magnetic‐Field‐Free Magnetization Switching
Authors: Han Xiang , Wang Zhenxing , Wang Yiheng , Wang Di , Zheng Limei , Zhao Le , Huang Qikun , Cao Qiang , Chen Yanxue , Bai Lihui , Xing Guozhong , Tian Yufeng , Yan Shishen
Published: May 2024

Synthetic antiferromagnet (SAF) with high thermal stability, ultra‐fast spin dynamics, and highly efficient spin‐orbit torque switching has great application potential in neuromorphic computing hardware. However, two challenges, the weakening of Hall signal in the remanent state and the need for a large auxiliary magnetic field for perpendicular magnetization switching, greatly limit the advantages of SAF in neuromorphic computing. In this work, both the enhanced anomalous Hall resistance and magnetic‐field‐free perpendicular magnetization switching are achieved by using oblique sputtering to fabricate the Pt/CoPt/Ru/CoTb SAF with strong interlayer exchange coupling and magnetic moment compensation. The fabricated SAF as synapse shows nearly linear, nonvolatile multistate plasticity, and as neuron exhibits a nonlinear sigmoid activation function, which are used to construct a fully connected neural network with a remarkable 97.0–98.1% recognition rate for the handwritten digits. Additionally, SAF serving as spike‐timing‐dependent plasticity synapse is used to construct an adaptive, unsupervised learning spiking neural network, and achieve an 87.0% accuracy in handwritten digit recognition. The findings exhibit the promise of SAFs as specialized hardware for high‐performance neuromorphic computing, offering high recognition rates and low power consumption.
Regulating Zn2+ Solvation Shell Through Charge‐Concentrated Anions for High Zn Plating/Stripping Coulombic Efficiency
Authors: Li Diantao , Sun Tianjiang , Ma Tao , Zhang Weijia , Sun Qiong , Cheng Min , Zha Zhengtai , Xie Weiwei , Tao Zhanliang
Published: May 2024

The plating/stripping efficiency of zinc (Zn) is directly related to the efficiency of zinc utilization and cycle stability of the battery, which is affected by factors such as the solvated water‐related hydrogen evolution reaction (HER), Zn corrosion, and dendrite formation. Therefore, creating a weak solvate shell for Zn2+ with reduced solvated water molecules can promote stable deposition and stripping of the zinc anode. In this work, a novel approach using the concentrated charge effect of anions is proposed to remove the solvated water and improve the efficiency of Zn plating/stripping. 3 mol kg−1 (3 m) ZnCl2, Zn(ClO4)2, and Zn(BF4)2 electrolytes are used as the representatives to investigate how anions regulate the solvent shell of zinc ion to achieve high Zn plating/stripping Coulombic efficiency (CE). Computational results show that Cl− has a more concentrated charge compared to ClO4− and BF4−, indicating a stronger interaction with Zn2+. This concentrated charge effect reduces the number of water molecules in Zn2+ solvation structures. Benefiting from weak solvent structure, the average coulomb efficiency, and cycling stability of the Zn─Cu asymmetric cell using ZnCl2 electrolyte is better. Additionally, the Zn‐NaV3O8 full cell of the ZnCl2 electrolyte exhibits good electrochemical performance.
Nano‐Fat Actuated Lipometabolic Reprogramming of Macrophages for Intracellular Infections in Biofilm Microenvironment
Authors: Liu Quan , Mei Jiawei , Wang Zhengxi , Zhang Xudong , Hu Xianli , Xu Dongdong , Zhou Jun , Li Qianming , Ma Ruixiang , Zhang Xianzuo , Su Zheng , Zhu Wanbo , Zhu Chen
Published: May 2024

Metabolic competition is a zero‐sum game between bacterial biofilms and host immune responses on the surface of medical implants. In an in vitro biofilm‐macrophages co‐culture system, it is found that suppressed lipid metabolic processes in host macrophages in the biofilm microenvironment correlates with immune tolerance and intracellular persistence. Reactivation of immune cells against bacterial infection by reprogramming lipid metabolism through the supply of lipids such as oleic acid (OA) is a promising strategy, but this cannot completely destroy the bacterial biofilms. Nanomaterial‐based zinc ion interference therapy in antibacterial field emerges relying on the outstanding benefits of nanomaterials. Therefore, a targeted nano‐fat HSA‐IR820@OA@ZIF‐8 (HIROZ) with near infrared‐II (NIR‐II) photothermal capacities is developed for the destrcution of the biofilms via zinc ion combined photothermal therapy. The improved cellular compatibility and enhanced intracellular uptake make HIROZ induce intracellular lipid droplets (LDs) formation in macrophages. Photothermal combined zinc ion‐induced metabolic interference augments the antimicrobial effect of LDs and activates lipometabolic reprogramming‐mediated antibacterial immune responses via mitochondrial stress. In the mouse wound biofilm infections model and subcutaneous implant‐associated biofilm infections (IABIs) model, HIROZ demonstrates sustained and thorough biofilm scavenging based on reprogramming of lipid metabolism, providing a new idea for metabolic interference‐centered therapeutic strategies for full‐scale IABIs eliminations.
Apoptosis‐Sensitizing Tumor Nanomedicine by Regulating Pyroptosis‐Associated Inflammatory Cell Death
Authors: Du Fangxue , Zhao Hongxin , Song Yangmeihui , Feng Ziyan , Liu Kai , Wang Ziyao , Guo Ruiqian , Qiu Li , Chen Qiqing , Zhou Liqiang
Published: May 2024

The vigorous development of cancer nanomedicine has revolutionized traditional oncology medicine, but it is also limited by the continuous mutation of cunning cancer cells, leading to apoptosis insensitivity and therapeutic disappointment. Inflammatory‐regulated cell death (RCD), especially pyroptosis‐related cell death, demonstrates huge potential for apoptosis sensitization due to its unique biochemical characteristics. The aim of this research is to present a thorough synopsis of the current knowledge on pyroptosis‐associated inflammatory cell death, including pyroptosis, cuproptosis, and PANoptosis, and the synergistic function in cancer nano therapy. Paradigm studies of pyroptosis‐related cell death‐mediated apoptosis‐sensitizing tumor nanotherapeutics are introduced in detail, and the coordination mechanisms based on nanomaterials are also discussed. In addition, multi‐angle analysis of the future prospects of pyroptosis‐sensitized tumor nanomedicine based on various nanomaterials is also emphasized to further expand the application scope of inflammatory RCD. It is believed that emerging auxiliary apoptosis‐sensitizing treatments based on inflammatory RCD will greatly promote the progress of cancer nanomedicine.
Catalytic Growth of Ionic Conductive Lithium Nitride Nanowire Array for Dendrite‐Free Lithium Metal Anode
Authors: Shen Chunli , Meng Jiashen , Yan Mengyu , Liao Xiaobin , Wang Hong , Feng Wencong , Yu Yongkun , Zhou Cheng , Gong Minjian , Mai Liqiang , Xu Xu
Published: May 2024

The development of an artificial solid‐electrolyte interphase (SEI) has been recognized as the most efficient strategy to overcome the safety concerns associated with the lithium metal anode (LMA). Inorganic‐rich SEIs on the LMA are crucial for suppressing Li dendrites. Among the prevalent SEI inorganic compounds observed for LMA, lithium nitride (Li3N) is often found in the SEIs of high‐performance LMA. Herein, the Li3N nanowire array is successfully synthesized and the catalytic base‐growth mechanism is thoroughly investigated. The fast ionic conductor Li3N nanowires act as pillars to control the nucleation and growth of lithium metal along the vertical direction of the nanowire by bottom‐up self‐lubrication, which fundamentally prevents the dendrite growth. The Li3N is characterized by abundant lithiophilic nucleation sites, which effectively reduces the local current density, and facilitates homogeneous Li+ flux. Symmetric cells utilizing the Li3N@Li anode have demonstrated excellent stability, featuring uniform deposition without dendrite formation. Additionally, high‐capacity retentions of 98% at 0.5 C after 400 cycles and impressive high‐rate performance at 31.1 mA cm−2 have been realized in high‐loading Li3N@Li||LFP cells. The universal preparation of the Li3N nanowires with various precursors and substrates is further explored, which is expected to be applied in solid‐state batteries and hydrogen storage.
A Chlorinated Indolium‐Based Nonlinear Optical Crystal Achieving Effective Terahertz‐Wave Generation and Highly Sensitive Detection
Authors: Liang Hebin , Fu Qiaoqiao , Wu Yicheng , Zhang Xinyuan , Liu Pengxiang
Published: May 2024

Nonlinear optical (NLO) crystals have shown great potential in generating and detecting coherent terahertz waves, which have a wide range of applications. However, designing the microscopic structure of NLO crystals to obtain excellent macroscopic properties has been a challenge. In this work, by the introduction of chloro substitution into the cation part of indolium‐based salt structure, a new acentric OH5CI‐BS crystal, namely, [(C19H19NOCl)+∙(C6H5SO3)−, P1] is synthesized and grown using a feasible evaporation method. The cut‐off edge of the grown OH5CI‐BS crystal reaches 524 nm, corresponding to a bandgap of 2.37 eV. The largest single crystals of OH5CI‐BS with the size of ≈ 9 × 8 × 0.3 mm3 are grown. Remarkably, by use of OH5CI‐BS crystals as both the THz‐wave emitter and detector, a widely tunable (from 2.23 to 33.54 THz) and monochromatic THz system is demonstrated for the first time, and the detection depth of the OH5CI‐BS based up‐conversion at room temperature is >4 orders better than a commercial Golay Cell and even 2 orders better than a 4‐K‐Bolometer. This work indicates that OH5CI‐BS is a promising future NLO material for terahertz technology, and also provides a feasible design strategy for other organic optoelectronic functional materials.
Topical Nanoliposomal Collagen Delivery for Targeted Fibril Formation by Electrical Stimulation
Authors: Brilian Albertus Ivan , Lee Sang Ho , Setiawati Agustina , Kim Chang Ho , Ryu Soo Ryeon , Chong Hyo‐Jin , Jo Yejin , Jeong Hayan , Ju Bong‐Gun , Kwon Oh‐Sun , Tae Giyoong , Shin Kwanwoo
Published: May 2024

Collagen is a complex, large protein molecule that presents a challenge in delivering it to the skin due to its size and intricate structure. However, conventional collagen delivery methods are either invasive or may affect the protein's structural integrity. This study introduces a novel approach involving the encapsulation of collagen monomers within zwitterionic nanoliposomes, termed Lip‐Cols, and the controlled formation of collagen fibrils through electric fields (EF) stimulation. The results reveal the self‐assembly process of Lip‐Cols through electroporation and a pH gradient change uniquely triggered by EF, leading to the alignment and aggregation of Lip‐Cols on the electrode interface. Notably, Lip‐Cols exhibit the capability to direct the orientation of collagen fibrils within human dermal fibroblasts. In conjunction with EF, Lip‐Cols can deliver collagen into the dermal layer and increase the collagen amount in the skin. The findings provide novel insights into the directed formation of collagen fibrils via electrical stimulation and the potential of Lip‐Cols as a non‐invasive drug delivery system for anti‐aging applications.
A Dual‐Function CD47‐Targeting Nano‐Drug Delivery System Used to Regulate Immune and Anti‐Inflammatory Activities in the Treatment of Atherosclerosis
Authors: Wang Huanhuan , Zhao Runze , Peng Lei , Yu Ao , Wang Yongjian
Published: May 2024

Atherosclerosis is a primary contributor to cardiovascular disease. Current studies have highlighted the association between the immune system, particularly immune cells, and atherosclerosis, although treatment options and clinical trials remain scarce. Immunotherapy for cardiovascular disease is still in its infancy. Bruton's tyrosine kinase (BTK), widely expressed in various immune cells, represents a promising therapeutic target for atherosclerosis by modulating the anti‐inflammatory function of immune cells. This study introduces a polydopamine‐based nanocarrier system to deliver the BTK inhibitor, ibrutinib, to atherosclerotic plaques with an active targeting property via an anti‐CD47 antibody. Leveraging polydopamine's pH‐sensitive reversible disassembly, the system offers responsive, controlled release within the pathologic microenvironment. This allows precise and efficient ibrutinib delivery, concurrently inhibiting the activation of the NF‐κB pathway in B cells and the NLRP3 inflammasome in macrophages within the plaques. This treatment also modulates both the immune cell microenvironment and inflammatory conditions in atherosclerotic lesions, thereby conveying promising therapeutic effects for atherosclerosis in vivo. This strategy also provides a novel option for atherosclerosis treatment.
3D Directional Assembly of Liquid Crystal Molecules
Authors: Zhang Zexu , Deng Chunsan , Fan Xuhao , Li Minjing , Zhang Mingduo , Wang Xinger , Chen Fayu , Shi Shaoxi , Zhou Yining , Deng Leimin , Gao Hui , Xiong Wei
Published: May 2024

The precise construction of hierarchically long‐range ordered structures using molecules as fundamental building blocks can fully harness their anisotropy and potential. However, the 3D, high‐precision, and single‐step directional assembly of molecules is a long‐pending challenge. Here, a 3D directional molecular assembly strategy via femtosecond laser direct writing (FsLDW) is proposed and the feasibility of this approach using liquid crystal (LC) molecules as an illustrative example is demonstrated. The physical mechanism for femtosecond (fs) laser‐induced assembly of LC molecules is investigated, and precise 3D arbitrary assembly of LC molecules is achieved by defining the discretized laser scanning pathway. Additionally, an LC‐based Fresnel zone plate array with polarization selection and colorization imaging functions is fabricated to further illustrate the potential of this method. This study not only introduces a 3D high‐resolution alignment method for LC‐based functional devices but also establishes a universal protocol for the precise 3D directional assembly of anisotropic molecules.
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
Authors: Aldossary Abdulrahman , Campos‐Gonzalez‐Angulo Jorge Arturo , Pablo‐García Sergio , Leong Shi Xuan , Rajaonson Ella Miray , Thiede Luca , Tom Gary , Wang Andrew , Avagliano Davide , Aspuru‐Guzik Alán
Published: May 2024

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.
Microneedles for Enhanced Bacterial Pathogen Inactivation and Accelerated Wound Healing
Authors: Krishnakumar Akshay , Gallina Nicholas L.F. , Sarnaik Devendra , McCain Robyn R , Crain Christa , Tipton Mason , Seleem Mohamed , Bhunia Arun K. , Rahimi Rahim
Published: May 2024

Bacterial wound infections are a significant socioeconomic concern in the modern healthcare industry owing to increased morbidity, prolonged hospital stay, and mortality. Bacterial infectious agents that colonize the wound bed develop biofilms, acting as a physical barrier that prevents the effective penetration of topical antimicrobials. Further, bacteria in such infectious wounds express a wide range of virulence factors promoting intercellular transmigration and host cell invasion complicating the treatment regimen. To address this need, a water‐dissolvable poly‐vinyl pyrrolidine (PVP), calcium peroxide (CPO) infused microneedle structure (denoted as PVP/CPO MN) for effective transdermal delivery of antimicrobial payload deep into the tissues is developed. Fluid exudate from the wound bed dissolves the PVP/CPO MN enabling the release of CPO deep into the infected wound bed. A slow catalytic decomposition of CPO results in the sustained release of reactive oxygen species (ROS) deep within the infected wound inhibiting the inter‐ and intracellular pathogens. Here, a systematic study of microneedle fabrication and sterilization after complete packaging is conducted to ensure scalability and safe applicability while maintaining mechanical and antibacterial properties. In vitro, antibacterial efficacy of the microneedles is validated against two common wound pathogens, Pseudomonas aeruginosa (P. aeruginosa) and Staphylococcus aureus (S. aureus). Moreover, the PVP/CPO MN exhibited significant efficacy in eradicating both extracellular and intracellular bacterial populations within an in vivo porcine wound model. Additionally, the microneedle technology facilitated a faster wound healing, with ≈30% increase compared to control and a 15% improvement over conventional silver dressing.
Extraction of Dual‐Switch Fluorescent Nanosheets from Asphaltenes under Ambient Conditions
Authors: Wang Channa , Zhang Mi , Du Mingjin , Ding Xiangdong , Xiang Changsheng
Published: May 2024

Asphaltene, often regarded as an undesirable by‐product of petroleum processing, possesses abundant reserves but limited market value. In this study, a simple and environmentally friendly solvent extraction method is conducted under ambient conditions to convert low‐value asphaltene into high‐value asphaltene‐based fluorescent carbon nanosheets (a‐FCS). This approach yields dual‐switch a‐FCS capable of emitting orange‐red fluorescence in solid‐state or water environment and exhibiting blue‐to‐yellow fluorescence in organic solvents. Moreover, the redshift observed in the fluorescence emission wavelength in the solvent is attributed to its intrinsic self‐assembly behavior, which becomes more pronounced with increasing concentration. Upon introduction to water, hydrophobic interactions induce the aggregation of a‐FCS. This aggregation triggers the orange‐red fluorescence by restricting intramolecular rotation on the surface, a phenomenon facilitated by the entanglement of aliphatic chains from asphaltene molecules. This unique property makes them applicable in anti‐counterfeiting and determination of ethanol content in aqueous solution.
Lead‐Free High Permittivity Quasi‐Linear Dielectrics for Giant Energy Storage Multilayer Ceramic Capacitors with Broad Temperature Stability
Authors: Wang Xinzhen , Song Xiaojie , Fan Yongbo , Li Linhao , Wang Dawei , Feteira Antonio , Lu Zhilun , Sinclair Derek C. , Wang Ge , Reaney Ian M.
Published: May 2024

Electrostatic energy storage capacitors are essential passive components for power electronics and prioritize dielectric ceramics over polymer counterparts due to their potential to operate more reliably at > 100 ˚C. Most work has focused on non‐linear dielectrics compositions in which polarization (P)/electric displacement (D) and maximum field (Emax) are optimized to give values of energy density, 6≤U≤21 J cm−3. In each case however, either saturation (dP/dE = 0, AFE) or “partial” saturation (dP/dE → 0, RFE) of P limits the value of U which can be achieved before breakdown. It is proposed that U can be further improved with respect to relaxors (RFEs) and anti‐ferroelectrics (AFEs) by designing high permittivity quasi‐linear dielectric (QLD) behaviour in which dP/dE remains constant up to ultrahigh Emax. QLD multilayer capacitor prototypes with dielectric layers composed of 0.88NaNb0.9Ta0.1O3‐0.10SrTiO3‐0.02La(Mg1/2Ti1/2)O3 deliver room temperature U ≈ 43.5 J cm−3, supporting an extremely‐large Emax ≈ 280 MV m−1, both of which exceed current state‐of‐art by a factor of two for devices based on powder, tape‐cast technology. Importantly QLD capacitors exhibit scant variation in U (≈15 J cm−3) up to > 200 ˚C and robust resistance to cyclic degradation, offering a promising new approach for the development of sustainable technology.
Associations of obesity, movement behaviors, and socioeconomic status with fundamental movement skills in children: Results from the REACT project
Authors: Praxedes Priscyla , Maia José , Santos Carla , Garbeloto Fernando , Hedeker Donald , Barreira Tiago V. , Garganta Rui , Farias Cláudio , Tani Go , Chaput Jean‐Philippe , Stodden David F. , Katzmarzyk Peter T. , Pereira Sara
Published: May 2024

Objective

To investigate the relationship of biological characteristics (age, sex, and obesity), movement behaviors (physical activity and sedentary time), and family socioeconomic status with fundamental movement skills (FMS) in primary school children.

Methods

This cross‐sectional study sampled 1014 children (537 girls) aged 6 to 10 years from 25 primary schools in Matosinhos, north of Portugal. Five object control skills (dribbling, kicking, catching, throwing, and underarm rolling) were assessed with a categorical scale using the Meu Educativo® platform. Body Mass Index (BMI) was calculated and transformed into z‐scores. Moderate‐to‐vigorous physical activity (MVPA) and sedentary time were monitored with accelerometry (ActiGraph wGT3X‐BT) for seven consecutive days. Family socioeconomic status (SES) was obtained from the Portuguese social support system. Ordinal multilevel logistic regression was used to analyze the associations of weight status, MVPA, sedentary time and SES with FMS, adjusted for sex and age.

Results

Boys (odds ratio (OR) = 6.54; 95% CI: 5.13–8.36) and older children (OR = 2.04; 95% CI: 1.85–2.26) were more likely to achieve higher FMS scores. Children with obesity (OR = 0.60; 95% CI: 0.45–0.80), those less active (OR = 0.56; 95% CI: 0.42–0.75) and children with more sedentary time (OR = 0.86; 95%CI: 0.77–0.97) were less likely to score high on FMS. Family SES was not significantly associated with FMS scores.

Conclusion

Primary school children's FMS are significantly related to biological and behavioral factors but not to family SES. These findings highlight the need for suitable strategies to enhance children's FMS proficiency, considering differences in these characteristics. Fostering adequate motor skill proficiency levels will assist in establishing a robust foundation for healthy lifestyles of all children.