bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrolyte design principles for developing quasi-solid-state rechargeable halide-ion batteries
Authors: Yang Xu , Zhang Bao , Tian Yao , Wang Yao , Fu Zhiqiang , Zhou Dong , Liu Hao , Kang Feiyu , Li Baohua , Wang Chunsheng , Wang Guoxiu 
Published: February 2023

AbstractRechargeable halide-ion batteries (HIBs) are good candidates for large-scale due to their appealing energy density, low cost, and dendrite-free features. However, state-of-the-art electrolytes limit the HIBs’ performance and cycle life. Here, via experimental measurements and modelling approach, we demonstrate that the dissolutions in the electrolyte of transition metal and elemental halogen from the positive electrode and discharge products from the negative electrode cause the HIBs failure. To circumvent these issues, we propose the combination of fluorinated low-polarity solvents with a gelation treatment to prevent dissolutions at the interphase, thus, improving the HIBs’ performance. Using this approach, we develop a quasi-solid-state Cl-ion-conducting gel polymer electrolyte. This electrolyte is tested in a single-layer pouch cell configuration with an iron oxychloride-based positive electrode and a lithium metal negative electrode at 25 °C and 125 mA g–1. The pouch delivers an initial discharge capacity of 210 mAh g–1and a discharge capacity retention of almost 80% after 100 cycles. We also report assembly and testing of fluoride-ion and bromide-ion cells using quasi-solid-state halide-ion-conducting gel polymer electrolyte.
Advances in device-independent quantum key distribution
Authors: Zapatero Víctor , van Leent Tim , Arnon-Friedman Rotem , Liu Wen-Zhao , Zhang Qiang , Weinfurter Harald , Curty Marcos 
Published: February 2023

AbstractDevice-independent quantum key distribution (DI-QKD) provides the gold standard for secure key exchange. Not only does it allow for information-theoretic security based on quantum mechanics, but it also relaxes the need to physically model the devices, thereby fundamentally ruling out many quantum hacking threats to which non-DI QKD systems are vulnerable. In practice though, DI-QKD is very challenging. It relies on the loophole-free violation of a Bell inequality, a task that requires high quality entanglement to be distributed between distant parties and close to perfect quantum measurements, which is hardly achievable with current technology. Notwithstanding, recent theoretical and experimental efforts have led to proof-of-principle DI-QKD implementations. In this article, we review the state-of-the-art of DI-QKD by highlighting its main theoretical and experimental achievements, discussing recent proof-of-principle demonstrations, and emphasizing the existing challenges in the field.
A modified apical resection model with high accuracy and reproducibility in neonatal mouse and rat hearts
Authors: Bei Yihua , Chen Chen , Hua Xuejiao , Yin Mingming , Meng Xiangmin , Huang Zhenzhen , Qi Weitong , Su Zhuhua , Liu Chang , Lehmann H. Immo , Li Guoping , Huang Yu , Xiao Junjie 
Published: February 2023

AbstractNeonatal mouse heart can regenerate after left ventricle (LV) apical resection (AR). Since current AR rodent method is accomplished by resecting LV apex until exposure of LV chamber, it is relatively difficult to operate reproducibly. We aimed to develop a modified AR method with high accuracy and reproducibility and to investigate whether cardiac regenerative capacity could be replicated in neonatal rats. For 15% AR of whole heart weight in 1-day-old (P1) neonatal mice, a modified 10 μL pipette tip cut to 0.48 mm in internal diameter was connected to a vacuum pump working at 0.06 ± 0.005 MPa and gently kept in touch with LV apex for nearly but no more than 12 s. LV apex was resected by a single incision adjacent to the pipette tip. The modified AR method in P1 mice achieved cardiac structural and functional recovery at 21 days post resection (dpr). Data from different operators showed smaller variation of resected LV apex and higher reproducibility using the modified AR method. Furthermore, we showed that 5% AR of whole heart weight in P1 neonatal rats using a modified 200 μL pipette tip cut to 0.63 mm in internal diameter led to complete regeneration of LV apex and full preservation of cardiac function at 42 dpr. In conclusion, the modified AR rodent model leads to accurate resection of LV apex with high homogeneity and reproducibility and it is practically convenient for the study of structural, functional, and molecular mechanisms of cardiac regeneration in both neonatal mice and rats.
Design of a stabilized non-glycosylated Pfs48/45 antigen enables a potent malaria transmission-blocking nanoparticle vaccine
Authors: Dickey Thayne H. , Gupta Richi , McAleese Holly , Ouahes Tarik , Orr-Gonzalez Sachy , Ma Rui , Muratova Olga , Salinas Nichole D. , Hume Jen C. C. , Lambert Lynn E. , Duffy Patrick E. , Tolia Niraj H. 
Published: February 2023

AbstractA malaria vaccine that blocks parasite transmission from human to mosquito would be a powerful method of disrupting the parasite lifecycle and reducing the incidence of disease in humans. Pfs48/45 is a promising antigen in development as a transmission blocking vaccine (TBV) against the deadliest malaria parasite Plasmodium falciparum. The third domain of Pfs48/45 (D3) is an established TBV candidate, but production challenges have hampered development. For example, to date, a non-native N-glycan is required to stabilize the domain when produced in eukaryotic systems. Here, we implement a SPEEDesign computational design and in vitro screening pipeline that retains the potent transmission blocking epitope in Pfs48/45 while creating a stabilized non-glycosylated Pfs48/45 D3 antigen with improved characteristics for vaccine manufacture. This antigen can be genetically fused to a self-assembling single-component nanoparticle, resulting in a vaccine that elicits potent transmission-reducing activity in rodents at low doses. The enhanced Pfs48/45 antigen enables many new and powerful approaches to TBV development, and this antigen design method can be broadly applied towards the design of other vaccine antigens and therapeutics without interfering glycans.
Electrostatic boosting of ionic dye pollutant removal from aquatic environment using a single electrode photoreactor
Authors: Lashgari Mohsen , Naseri-Moghanlou Sepideh , Khanahmadlou Tohid , Hempelmann Rolf 
Published: February 2023

AbstractA green advanced oxidation (AO) strategy to destroy dye pollutants and remove them from aquatic environments is to utilize sunlight and employ thin-film semiconducting photo-reactors. In this light-driving AO method, besides the type of dye and semiconductor material, attention to the electrostatic interactions between dye and electrode is of great importance. In this paper, a couple of nanostructured, narrow-bandgap, semiconducting photoelectrodes, i.e., hematite (n-type) and pyrite (p-type) were fabricated electrochemically and employed for the elimination of two cationic (malachite green) and anionic (methyl orange) dyes inside a single-electrode photoreactor. It was shown that without applying a faradic potential bias and consuming electricity or changing the pH of medium, the decolorization ability of the fabricated photoelectrodes can be substantially boosted just by their connection to an electrostatic (non-faradic) bias source. Regardless of the type of photoelectrode, in the case of cationic dye, the application of a negative polarity and for the anionic dye, a positive polarity remarkably promoted the reactor activity. These observations were discussed in detail through electrostatic attractive/repulsive forces between ionic dyes and charged photoelectrodes, and finally a mechanistic perspective was put forward for the photo-electrostatic dye removal process.
Portable and cost-effective genetic detection and characterization of Plasmodium falciparum hrp2 using the MinION sequencer
Authors: Sabin Susanna , Jones Sophie , Patel Dhruviben , Subramaniam Gireesh , Kelley Julia , Aidoo Michael , Talundzic Eldin 
Published: February 2023

AbstractThe prevalence of Plasmodium falciparum hrp2 (pfhrp2)-deleted parasites threatens the efficacy of the most used and sensitive malaria rapid diagnostic tests and highlights the need for continued surveillance for this gene deletion. While PCR methods are adequate for determining pfhrp2 presence or absence, they offer a limited view of its genetic diversity. Here, we present a portable sequencing method using the MinION. Pfhrp2 amplicons were generated from individual samples, barcoded, and pooled for sequencing. To overcome potential crosstalk between barcodes, we implemented a coverage-based threshold for pfhrp2 deletion confirmation. Amino acid repeat types were then counted and visualized with custom Python scripts following de novo assembly. We evaluated this assay using well-characterized reference strains and 152 field isolates with and without pfhrp2 deletions, of which 38 were also sequenced on the PacBio platform to provide a standard for comparison. Of 152 field samples, 93 surpassed the positivity threshold, and of those samples, 62/93 had a dominant pfhrp2 repeat type. PacBio-sequenced samples with a dominant repeat-type profile from the MinION sequencing data matched the PacBio profile. This field-deployable assay can be used alone for surveilling pfhrp2 diversity or as a sequencing-based addition to the World Health Organization’s existing deletion surveillance protocol.
Dissipative MHD free convective nanofluid flow past a vertical cone under radiative chemical reaction with mass flux
Authors: Ragulkumar E. , Palani G. , Sambath P. , Chamkha Ali J. 
Published: February 2023

AbstractRecently, Nanoparticles have supplied diverse challenges to several scientific issues. Nanoparticles dispersed in a variety of conventional fluids can change the flow and heat transmission properties of the fluids. The mathematical technique is used in this work to investigate the MHD water-based nanofluid flow via an upright cone. The heat and mass flux pattern is used in this mathematical model to examine MHD, viscous dissipation, radiation, chemical reactions and suction/injection processes. The finite difference approach was used to find the solution to the basic governing equations. A combination of nanofluids comprising nanoparticles including aluminum oxide (Al$$_{2}$$

2

O$$_{3}$$

3

), silver (Ag), copper (Cu) and titanium dioxide (TiO$$_{2}$$

2

) with a volume fraction of nanoparticles (0, 0.01, 0.02, 0.03, 0.04), viscous dissipation ($$\epsilon = 0.4, 0.8$$

ϵ
=
0.4
,
0.8

), MHD (M = 0.5, 1.0), radiation (Rd = 0.4, 1.0, 2.0), chemical reaction ($$\lambda = 0.2, 2.0$$

λ
=
0.2
,
2.0

) and heat source/sink ($$\Delta = -3, -2 ,0.5 , 1$$

Δ
=
-
3
,
-
2
,
0.5
,
1

) . The mathematical findings of velocity, temperature, concentration, skin friction, heat transfer rate as well as Sherwood number distributions are analyzed diagrammatically using non-dimensional flow parameters. It has been discovered that by increasing the value of the radiation parameter, velocity and temperature profiles enhance. The production of safe, high-quality products for consumers across the world depends on vertical cone mixers, from food to medicine, household cleansers to personal hygiene products. Every vertical cone mixer type we provide was especially developed to meet the demands of industry. As the mixer warms up on the slanted surface of the cone while vertical cone mixers are being utilized, the effectiveness of the grinding may be felt. The temperature is transferred along the cone’s slant surface as a consequence of the mixture being mixed quickly and repeatedly. This study describes the heat transmission in these events and their parametric properties. The heated cone’s temperature is then convective to its surroundings.
Prediction of stable radon fluoride molecules and geometry optimization using first-principles calculations
Authors: Kang Jaeeun , Park Ina , Shim Ji Hoon , Kim Duck Young , Um Wooyong 
Published: February 2023

AbstractNoble gases possess extremely low reactivity because their valence shells are closed. However, previous studies have suggested that these gases can form molecules when they combine with other elements with high electron affinity, such as fluorine. Radon is a naturally occurring radioactive noble gas, and the formation of radon-fluorine molecules is of significant interest owing to its potential application in future technologies that address environmental radioactivity. Nevertheless, because all isotopes of radon are radioactive and the longest radon half-life is only 3.82 days, experiments on radon chemistry have been limited. Here, we study the formation of radon molecules using first-principles calculations; additionally, possible compositions of radon fluorides are predicted using a crystal structure prediction approach. Similar to xenon fluorides, di-, tetra-, and hexafluorides are found to be stabilized. Coupled-cluster calculations reveal that RnF6 stabilizes with Oh point symmetry, unlike XeF6 with C3v symmetry. Moreover, we provide the vibrational spectra of our predicted radon fluorides as a reference. The molecular stability of radon di-, tetra-, and hexafluoride obtained through calculations may lead to advances in radon chemistry.
Higher throughput workflow with sensitive, reliable and automatic quantification of myelination in vitro suitable for drug screening
Authors: Seiler Sybille , Wälti Ciril Marius , de Barros Vanessa , Barbash Shahar , Foo Lynette C. 
Published: February 2023

AbstractMultiple sclerosis (MS) is the most common demyelinating autoimmune disease of the central nervous system (CNS). Immune-mediated myelin and axonal damage that is accompanied by chronic axonal loss causing destruction of the myelin sheaths are hallmarks of MS. While great strides have been made in understanding the molecular underpinnings of re-/myelination, currently no remyelination therapy is available for MS. As myelination is a complex process that is not fully understood, we sought to develop a systematic, reliable, automated and quantitative higher throughput screening method. We aimed to quantitate myelin sheaths in vitro with high sensitivity at the single cell level suitable for testing small compound libraries. To this end, we miniaturised in vitro retinal ganglion cell-oligodendrocyte precursor cell (RGC–OPC) co-cultures into a multi-well plate format. This allowed us to maintain the reciprocal interaction of live axons and oligodendrocytes (OLs) to ensure compact myelin formation. To quantify our co-cultures, we developed a novel computer vision algorithm to precisely measure myelination. We demonstrated efficacy of our system with known pro-differentiating compounds BQ3020 and XAV939 which exhibited robust, efficient, and dose dependent effects on myelination. Through this combination of experimental and technical advances, we have developed a method allowing systematic and reliable testing of remyelinating compound efficacy.
Necrophagy by insects in Oculudentavis and other lizard body fossils preserved in Cretaceous amber
Authors: Solórzano‑Kraemer Mónica M. , Peñalver Enrique , Herbert Mélanie C. M. , Delclòs Xavier , Brown Brian V. , Aung Nyi Nyi , Peretti Adolf M. 
Published: February 2023

AbstractWhen a vertebrate carcass begins its decay in terrestrial environments, a succession of different necrophagous arthropod species, mainly insects, are attracted. Trophic aspects of the Mesozoic environments are of great comparative interest, to understand similarities and differences with extant counterparts. Here, we comprehensively study several exceptional Cretaceous amber pieces, in order to determine the early necrophagy by insects (flies in our case) on lizard specimens, ca. 99 Ma old. To obtain well-supported palaeoecological data from our amber assemblages, special attention has been paid in the analysis of the taphonomy, succession (stratigraphy), and content of the different amber layers, originally resin flows. In this respect, we revisited the concept of syninclusion, establishing two categories to make the palaeoecological inferences more accurate: eusyninclusions and parasyninclusions. We observe that resin acted as a “necrophagous trap”. The lack of dipteran larvae and the presence of phorid flies indicates decay was in an early stage when the process was recorded. Similar patterns to those in our Cretaceous cases have been observed in Miocene ambers and actualistic experiments using sticky traps, which also act as “necrophagous traps”; for example, we observed that flies were indicative of the early necrophagous stage, but also ants. In contrast, the absence of ants in our Late Cretaceous cases confirms the rareness of ants during the Cretaceous and suggests that early ants lacked this trophic strategy, possibly related to their sociability and recruitment foraging strategies, which developed later in the dimensions we know them today. This situation potentially made necrophagy by insects less efficient in the Mesozoic.
Quantum algorithms for geologic fracture networks
Authors: Henderson Jessie M. , Podzorova Marianna , Cerezo M. , Golden John K. , Gleyzer Leonard , Viswanathan Hari S. , O’Malley Daniel 
Published: February 2023

AbstractSolving large systems of equations is a challenge for modeling natural phenomena, such as simulating subsurface flow. To avoid systems that are intractable on current computers, it is often necessary to neglect information at small scales, an approach known as coarse-graining. For many practical applications, such as flow in porous, homogenous materials, coarse-graining offers a sufficiently-accurate approximation of the solution. Unfortunately, fractured systems cannot be accurately coarse-grained, as critical network topology exists at the smallest scales, including topology that can push the network across a percolation threshold. Therefore, new techniques are necessary to accurately model important fracture systems. Quantum algorithms for solving linear systems offer a theoretically-exponential improvement over their classical counterparts, and in this work we introduce two quantum algorithms for fractured flow. The first algorithm, designed for future quantum computers which operate without error, has enormous potential, but we demonstrate that current hardware is too noisy for adequate performance. The second algorithm, designed to be noise resilient, already performs well for problems of small to medium size (order 10–1000 nodes), which we demonstrate experimentally and explain theoretically. We expect further improvements by leveraging quantum error mitigation and preconditioning.
First principles and mean field study on the magnetocaloric effect of YFe3 and HoFe3 compounds
Authors: Abu-Elmagd Mohammed Said Mohammed , Hammad Tarek , Abdel-Kader Ahmed , El-Shamy Nesreen , Yehia Sherif , Aly Samy H. , Mohammad Fatema Z. 
Published: February 2023

AbstractIn this work, the magnetothermal characteristics and magnetocaloric effect in YFe3 and HoFe3 compounds are calculated as function of temperature and magnetic field. These properties were investigated using the two-sublattice mean field model and the first-principles DFT calculation using the WIEN2k code. The two-sublattice model of the mean-field theory was used to calculate the temperature and field-dependences of magnetization, magnetic heat capacity, magnetic entropy, and the isothermal change in entropy ∆Sm. We used the WIEN2k code to determine the elastic constants and, subsequently, the bulk and shear moduli, the Debye temperature, and the density-of-states at Ef. According to the Hill prediction, YFe3 has bulk and shear moduli of roughly 99.3 and 101.2 GPa respectively. The Debye temperature is ≈ 500 K, and the average sound speed is ≈ 4167 m/s. In fields up to 60 kOe and at temperatures up to and above the Curie point for both substances, the trapezoidal method was used to determine ∆Sm. For instance, the highest ∆Sm values for YFe3 and HoFe3 in 30 kOe are approximately 0.8 and 0.12 J/mol. K, respectively. For the Y and Ho systems, respectively, the adiabatic temperature change in a 3 T field decreases at a rate of around 1.3 and 0.4 K/T. The ferro (or ferrimagnetic) to paramagnetic phase change in these two compounds, as indicated by the temperature and field dependences of the magnetothermal and magnetocaloric properties, ∆Sm and ∆Tad, is a second-order phase transition. The Arrott plots and the universal curve for YFe3 were also calculated and their features give an additional support to the second order nature of the phase transition.
Wavelets based physics informed neural networks to solve non-linear differential equations
Authors: Uddin Ziya , Ganga Sai , Asthana Rishi , Ibrahim Wubshet 
Published: February 2023

AbstractIn this study, the applicability of physics informed neural networks using wavelets as an activation function is discussed to solve non-linear differential equations. One of the prominent equations arising in fluid dynamics namely Blasius viscous flow problem is solved. A linear coupled differential equation, a non-linear coupled differential equation, and partial differential equations are also solved in order to demonstrate the method’s versatility. As the neural network’s optimum design is important and is problem-specific, the influence of some of the key factors on the model’s accuracy is also investigated. To confirm the approach’s efficacy, the outcomes of the suggested method were compared with those of the existing approaches. The suggested method was observed to be both efficient and accurate.
Ecological momentary assessment of mind-wandering: meta-analysis and systematic review
Authors: Kawashima Issaku , Hinuma Tomoko , Tanaka Saori C. 
Published: February 2023

AbstractMind-wandering (MW) is a universal human phenomenon and revealing its nature contributes to understanding consciousness. The ecological momentary assessment (EMA), in which subjects report a momentary mental state, is a suitable method to investigate MW in a natural environment. Previous studies employed EMA to study MW and attempted to answer the most fundamental question: How often do we let our minds wander? However, reported MW occupancies vary widely among studies. Further, while some experimental settings may induce bias in MW reports, these designs have not been explored. Therefore, we searched PubMed and Web of Science for articles published until the end of 2020 and systematically reviewed 25 articles, and performed meta-analyses on 17 of them. Our meta-analysis found that people spend 34.504% of daily life in mind-wandering, and meta-regression revealed that using subject smartphones for EMA, frequent sampling, and long experimental duration significantly affect MW reports. This result indicates that EMA using subject smartphones may tend to collect sampling under habitual smartphone use. Furthermore, these results indicate the existence of reactivity, even in MW research. We provide fundamental knowledge of MW and discuss rough standards for EMA settings in future MW studies.