bluuebunny/crossref_metadata_2025 huggingface dataset:
Detection of helical water flows in sub-nanometer channels
Authors: Zelenovskii Pavel , Soares Márcio , Bornes Carlos , Marin-Montesinos Ildefonso , Sardo Mariana , Kopyl Svitlana , Kholkin Andrei , Mafra Luís , Figueiredo Filipe
Published: July 2024

Nanoscale flows of liquids can be revealed in various biological processes and underlie a wide range of nanofluidic applications. Though the integral characteristics of these systems, such as permeability and effective diffusion coefficient, can be measured in experiments, the behaviour of the flows within nanochannels is still a matter of speculation. Herein, we used a combination of quadrupolar solid-state NMR spectroscopy, computer simulation, and dynamic vapour sorption measurements to analyse water diffusion inside peptide nanochannels. We detected a helical water flow coexisting with a conventional axial flow that are independent of each other, immiscible, and associated with diffusion coefficients that may differ up to 3 orders of magnitude. The trajectory of the helical flow is dictated by the screw-like distribution of ionic groups within the channel walls, while its flux is governed by external water vapour pressure. Similar flows may occur in other types of nanochannels containing helicoidally distributed ionic groups and be exploited in various nanofluidic lab-on-a-chip devices.
A dual-center analysis of conservative versus liberal glycoprotein IIb–IIIa antagonist strategies in the treatment of ST-elevation myocardial infarction
Authors: Callichurn Kashi , Simard Philippe , De Marco Corrado , Jamali Payman , Saada Yacine , Matteau Alexis , Schampaert Érick , Mansour Samer , Hatem Raja , Potter Brian J.
Published: July 2024

While the efficacy of GpIIb–IIIa-inhibitors during primary PCI (pPCI) for ST-elevated myocardial infarction (STEMI) has previously been demonstrated, its ongoing role and safety in combination with newer P2Y12-inhibitors is unclear. We therefore sought to compare outcomes between two centers with divergent approaches to the use of GpIIbIIIa antagonists in pPCI. We performed a retrospective chart review of all-comer STEMI patients treated with pPCI at two high-volume Montreal academic tertiary care centers. One center tended to use GpIIb–IIIa-inhibitors up-front in a large proportion of patients (liberal strategy) and the other preferring a bail-out approach (conservative strategy). Baseline patient characteristics and procedural data were compared between the two groups. The main efficacy outcome was rate of no-reflow/slow-reflow and the main safety outcome was BARC ≥ 2 bleeding events. A total of 459 patients were included, of whom 167 (36.5%) were exposed to a GpIIb–IIIa-antagonist. There was a significant overall difference in use of GpIIb–IIIa-antagonist between the two centers (60.5% vs. 16.1%, p < 0.01). Rate of no-reflow/slow-reflow was similar between groups (2.6% vs. 1.4%, p = 0.22). In-hospital rates of unplanned revascularization, stroke and death were also not different between groups. Use of a liberal GpIIb-–IIIa-antagonist strategy was however associated with a higher risk of bleeding (OR 3.16, 95% CI 1.57–6.37, p < 0.01), which persisted after adjustment for covariables (adjusted OR 2.85, 95% CI 1.40–5.81, p < 0.01). In this contemporary retrospective cohort, a conservative, bail-out only GpIIb-–IIIa-antagonist strategy was associated with a lower incidence of clinically relevant bleeding without any signal for an increase in no-reflow/slow-reflow or ischemic clinical events.
Ribonuclease inhibitor 1 emerges as a potential biomarker and modulates inflammation and iron homeostasis in sepsis
Authors: Neu Carolina , Beckers Christian , Frank Nadine , Thomas Katharina , Bartneck Matthias , Simon Tim-Philipp , Mossanen Jana , Peters Kimmo , Singendonk Tobias , Martin Lukas , Marx Gernot , Kraemer Sandra , Zechendorf Elisabeth
Published: July 2024

Sepsis, marked by organ dysfunction, necessitates reliable biomarkers. Ribonuclease inhibitor 1 (RNH1), a ribonuclease (RNase) inhibitor, emerged as a potential biomarker for acute kidney injury and mortality in thoracoabdominal aortic aneurysm patients. Our study investigates RNH1 dynamics in sepsis, its links to mortality and organ dysfunction, and the interplay with RNase 1 and RNase 5. Furthermore, we explore RNH1 as a therapeutic target in sepsis-related processes like inflammation, non-canonical inflammasome activation, and iron homeostasis. We showed that RNH1 levels are significantly higher in deceased patients compared to sepsis survivors and correlate with creatine kinase, aspartate and alanine transaminase, bilirubin, serum creatinine and RNase 5, but not RNase 1. RNH1 mitigated LPS-induced TNFα and RNase 5 secretion, and relative mRNA expression of ferroptosis-associated genes HMOX1, FTH1 and HAMP in PBMCs. Monocytes were identified as the predominant type of LPS-positive PBMCs. Exogenous RNH1 attenuated LPS-induced CASP5 expression, while increasing IL-1β secretion in PBMCs and THP-1 macrophages. As RNH1 has contradictory effects on inflammation and non-canonical inflammasome activation, its use as a therapeutic agent is limited. However, RNH1 levels may play a central role in iron homeostasis during sepsis, supporting our clinical observations. Hence, RNH1 shows promise as biomarkers for renal and hepatic dysfunction and hepatocyte injury, and may be useful in predicting the outcome of septic patients.
Life’s Essential 8 is inversely associated with high-sensitivity C-reactive protein
Authors: Hebib Lana , Herraiz-Adillo Ángel , Higueras-Fresnillo Sara , Berglind Daniel , Daka Bledar , Wennberg Patrik , Hagström Emil , Lenander Cecilia , Ahlqvist Viktor H. , Östgren Carl Johan , Rådholm Karin , Henriksson Pontus
Published: July 2024

Life’s Essential 8 (LE8) is a score that includes modifiable risk factors for cardiovascular disease. Four health behaviors (diet, physical activity, nicotine exposure and sleep health) and four health factors (non-HDL cholesterol, blood glucose, blood pressure and body mass index) are included. These modifiable risk factors promote inflammation, and inflammation is one of the biological mechanisms of cardiovascular disease development. Thus, we examined the relationship between cardiovascular health measured by LE8 and low-grade inflammation measured by high-sensitivity C-reactive protein (hs-CRP) in the cross-sectional population-based Swedish CArdioPulmonary bioImage Study (SCAPIS). The study consisted of 28,010 participants between 50 and 64 years (51.5% women, mean age 57.5 years). All individual LE8 components were assigned a score between 0 (unhealthy) and 100 (healthy) points, and a global score was calculated. The association between LE8 scores and high-risk hs-CRP (defined as > 3.0 mg/L) was analyzed using adjusted logistic regression with spline analyses. There was a strong, dose response and inverse association between LE8 scores and levels of hs-CRP. Thus, those with a low LE8 score (= 50.0 points) had 5.8 higher (95% confidence interval [CI] 5.2–6.4) odds ratio (OR) of having high hs-CRP as compared to those with a high LE8 score (= 80.0 points). In conclusion, our findings show strong inverse associations between LE8 scores and levels of hs-CRP.
Optimizing electric vehicle powertrains peak performance with robust predictive direct torque control of induction motors: a practical approach and experimental validation
Authors: Kasri Amel , Ouari Kamel , Belkhier Youcef , Bajaj Mohit , Zaitsev Ievgen
Published: July 2024

Enhancing the efficiency of the electric vehicle’s powertrain becomes a crucial focus, wherein the control system for the traction motor plays a significant role. This paper presents a novel electric vehicle traction motor control system based on a robust predictive direct torque control approach, an improved version of the conventional DTC, where the traditional switching table and the hysteresis regulators are substituted with a predictive block based on an optimization algorithm. Additionally, a robust predictive speed loop regulator is employed instead of the proportional-integral regulator, which integrates a new cost function with a finite horizon, incorporating integral action into the control law based on a Taylor series expansion. This technique’s primary benefit is its independence from the necessity to measure and observe external disturbances, as well as uncertainties related to parameters. The effectiveness of the suggested system was confirmed through simulation and experimental results under the OPAL-RT platform. The findings indicate that the proposed approach outperforms the conventional method in terms of rejecting disturbances, exhibiting robustness to variations in parameters, and minimizing torque ripple.
A Three-generation Study on Male-mediated Developmental Toxicity in Mice Exposed to Bisphenol A and Bisphenol A–Irradiation Combination
Authors: Dobrzyńska Małgorzata M. , Gajowik Aneta
Published: July 2024

This chapter summarizes our long-term research on the effects of preconceptional exposure covering a full spermatogenesis cycle of pubescent or adult male mice to BPA or to a combination of BPA and irradiation on the male gametes and the development of two generations of their offspring. There were some differences in the response of male germ cells to bisphenol A exposure between adult and pubescent males. The harmful effect induced in the gametes of pubescent males by bisphenol A was more clear, suggesting the higher susceptibility of germ cells of adolescent mammals. Exposure of males to BPA alone or in combination with irradiation for a full cycle of spermatogenesis may cause heritable changes transferable to subsequent generations, which lead to unsuccessful fertilization or preimplantation losses as well as to death of pups after birth. Such exposure may also diminish the sperm quality of the males of the F1 generation leading to unsuccessful fertilization and induce obesity in the F1 offspring of exposed males. Combined treatment mainly intensified the harmful effect induced by BPA in male germ cells. Transgenerational effects on subsequent generations might involve genetic and epigenetic mechanisms.
Male Reproductive and Developmental Toxicity Associated with Exposure to Engineered Nanoparticles
Authors: Nasra Simran , Kumar Ashutosh
Published: July 2024

Engineered nanomaterials are commonly used in industrial processing such as in the food and healthcare industry, manufacturing of solar/fuel cells, the textile industry, cosmetics, ultraviolet (UV) absorbents, oxygen sensors, metallurgical uses, glass, ceramics, etc., resulting in a significant increase in the number of male workers exposed to nanoparticles. Various studies have explored the biodistribution and bioaccumulation of nanoparticles in vivo and their toxic effects at a molecular level and in reproductive function. However, their effect on male reproductive health and effects on spermatozoa production remain poorly understood. The purpose of this chapter is to link contact with nanoparticles and their detrimental effects on male reproductive functions to prevent unperceived health risks.
Roles of Epigenetic Modifications in Male Reproductive Toxicity
Authors: Zhang Xueguang , Guo Juncen , Xu Wenming
Published: July 2024

Spermatogenesis is a highly specialized process resulting in the formation of functional spermatozoa for male reproduction and consists of the mitotic division of spermatogonia, meiosis of spermatocytes, and a metamorphic change (spermiogenesis). Spermatogenesis requires specialized epigenetic regulation to generate functional spermatozoa. During mitotic proliferation and meiosis of spermatogonia and spermatocytes, respectively, and the metamorphic changes of spermiogenesis, epigenetic modifications including DNA methylation, histone modifications and RNA modifications are essential. Of particular note, N6-methyladenosine (m6A) modifications of RNA emerge as crucial epigenetic changes for spermatogenesis. After fertilization, decondensation of the male pronucleus is accompanied by epigenetic reprogramming. Exposure to environmental toxicants can impair male reproduction by altering gene expression and epigenetic profiles, compromising fertility and offspring health. This chapter presents a systematic review of the role of environmental pollution-induced epigenetic alterations in male reproductive toxicity. Elucidating the links between environmental toxicants, epigenetic disruption of spermatogenesis, and impaired male fertility or offspring health is crucial to understand and address this public health issue.
A rapid and improved method for the determination of ethyl carbamate in foodstuffs of different matrices
Authors: Šantrůčková Veronika , Fischer Jan , Klikarová Jitka
Published: July 2024

A combination of fast HPLC-FLD analysis of the 9-XA derivative of EC, satisfactory yields, negligible matrix effects, no interfering peaks, very low detection limit, and simple sample pre-treatment represents a suitable method for rapid EC screening in distillates.
Advances in polyoxometalate-based electrochemical sensors in the last three years
Authors: Lu Changyuan , Tang Zhigang , Wang Dan , Chen Lijuan , Zhao Junwei
Published: July 2024

Typical polyoxometalate-based electrochemical sensors and their applications in environmental monitoring, food safety and biomedicine in the last three years are summarized in this review.
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides
Authors: Li Zhiyuan , Zhao Bo , Zhang Hongbin , Zhang Yixuan
Published: July 2024

In this study, we have successfully developed a comprehensive high-throughput workflow for evaluating and predicting 17O NMR parameters in non-magnetic oxide crystals.
Urine osmolality assessment through the integration of urea hydrolysis and impedance measurement
Authors: Kong Tian Fook , Shen Xinhui , Sim Mei Yi , Yong Jin , Ng Tze Kiat , Chong Tsung Wen , Marcos
Published: July 2024

We present the development and validation of an impedance-based urine osmometer for accurate and portable measurement of urine osmolality.
Deformation under flow and morphological recovery of cancer cells
Authors: Gasser Emile , Su Emilie , Vaidžiulytė Kotryna , Abbade Nassiba , Cognart Hamizah , Manneville Jean-Baptiste , Viovy Jean-Louis , Piel Matthieu , Pierga Jean-Yves , Terao Kyohei , Villard Catherine
Published: July 2024

A novel microfluidic device dedicated to cell rheology after flow-induced deformation in constricted channel: a focus on the recovery properties of circulating tumor cells.
Unexpected 20-membered macrocycles obtained by the condensation of α,α-dihalo-β-oxoaldehydes with diaminofurazan
Authors: Guseinov Firudin I. , Ovsyannikov Viacheslav O. , Shuvalova Elena V. , Kustov Leonid M. , Kobrakov Konstantin I. , Samigullina Aida I. , Mahmudov Kamran T.
Published: July 2024

Reaction of α,α-dihalo-β-oxoaldehydes with diaminofurazan in acetonitrile affords unexpected 20-membered macrocycles.
A green ionic liquid solvent for additive-free, efficient and stable bladed perovskite solar cells under ambient conditions
Authors: Yu Huanqin , Cao Bingqiang
Published: July 2024

A green ionic liquid solvent is used to prepare bladed perovskite solar cells. The PCE of the bladed PSCs prepared under ambient conditions exceeds 14% without additives.
Synthesis and spectroscopic properties of carotenoid bis-phenylhydrazone astaxanthin: extending conjugation to a CN group
Authors: Özcan Emrah , Keşan Gürkan , Chábera Pavel , Litvín Radek , Polívka Tomáš
Published: July 2024

The study of bis-phenylhydrazone astaxanthin (BPH-Asx), examines its synthesis, spectroscopy, and altered excited-state dynamics compared to astaxanthin (Asx).
Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines
Authors: Buravlev Alexander A. , Makarov Alexander Yu. , Salnikov Georgy E. , Genaev Alexander M. , Bagryanskaya Irina Yu. , Nikulshin Pavel V. , Platonov Vyacheslav E. , Zibarev Andrey V.
Published: July 2024

Synthesized fluorinated dibenzo-1,2,5,6-tetrathiocines are structurally flexible in the solid state (XRD), solution (NMR, NOESY), and gas phase (DFT). In solution under sunlight, they isomerize in rare dibenzo-1,2,3,6-tetrathiocines (XRD).
Regulation of hydrogenation products of fatty acids by tuning the acidity of cobalt catalysts
Authors: Liao Fanhui , Chu Yanchang , Chen Xiyan , Xu Donghai , Yang Le
Published: July 2024

The selective conversion of fatty acids via DCOx, HDO or esterification can be tuned by adjusting the acidity of metal cobalt catalysts. It is observed that strong acidity favors DCOx, medium acidity favors esterification and weak acidity favors HDO.
Nanoscale core–shell structure and recrystallization of swift heavy ion tracks in SrTiO3
Authors: Gupta Ashish Kumar , Zarkadoula Eva , Ziatdinov Maxim , Kalinin Sergei V. , Paduri Vikas Reddy , Hachtel Jordan A. , Zhang Yanwen , Trautmann Christina , Weber William J. , Sachan Ritesh
Published: July 2024

It is widely accepted that the interaction of swift heavy ions with many complex oxides is predominantly governed by the electronic energy loss that gives rise to nanoscale amorphous ion tracks along the penetration direction.
Efficient open-air synthesis of Mg2+-doped CsPbI3 nanocrystals for high-performance red LEDs
Authors: Zheng Jiaying , Ma Jiwei , Yu Minghuai , Xie Hao , Yan Dongdong , Dong Yihong , Liu Yi , Wang Xiaoyu , Ye Weixiang
Published: July 2024

Inorganic CsPbI3 perovskite nanocrystals (NCs) exhibit remarkable optoelectronic properties for illumination.
Assembling Fe4 single-molecule magnets on a TiO2 monolayer
Authors: Sorrentino Andrea Luigi , Poggini Lorenzo , Serrano Giulia , Cucinotta Giuseppe , Cortigiani Brunetto , Malavolti Luigi , Parenti Francesca , Otero Edwige , Arrio Marie-Anne , Sainctavit Philippe , Caneschi Andrea , Cornia Andrea , Sessoli Roberta , Mannini Matteo
Published: July 2024

A monolayer of tetrairon(iii) (Fe4) molecules, featuring single-molecule magnet (SMM) behavior, is used to decorate a TiO2 film. We evaluated the modifications occurring at the interface, a crucial issue for future applications of SMM materials.
Mixed host co-assembled systems for broad-scope analyte sensing
Authors: Selinger Allison J. , Krämer Joana , Poarch Eric , Hore Dennis , Biedermann Frank , Hof Fraser
Published: July 2024

Mixed host chemosensors position a single dye within a co-assembled system of two different host classes. Data-rich responses are produced upon analyte binding to either host, increasing detection scope to hydrophobic, cationic and neutral drugs.
Development of In-Water Scalable Process for the Preparation of [2-(3-Bromo-2-methylphenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol, a Key Intermediate in the Synthesis of Potent PD-1/PD-L1 Inhibitors
Authors: Prueksaritanont Thomayant , Rattanangkool Eakkaphon , Srisa Jakkrit , Deesiri Sirikan , Soponpong Jakapun , Wacharasindhu Sumrit , Vilaivan Tirayut
Published: July 2024

We propose a synthetic process for the preparation of a benzoxazole building block for a programmed death-ligand 1 inhibitor that is a candidate currently under clinical investigation for cancer treatment. Our research focused on searching for mild, scalable, and ecofriendly conditions for the synthesis of benzoxazoles. To reduce the use of toxic reagents or solvents and to minimize the production of organic wastes, the cyclization reaction was performed in an aqueous micellar medium. This in-water benzoxazole synthesis gave comparable yields to previously reported processes, and was applied to a broad range of benzoxazoles with various substitution patterns, showcasing its effectiveness in ecofriendly benzoxazole cyclization reactions.
Dysregulation of Host–Pathogen Interactions in Sepsis: Host-Related Factors
Authors: Joosten Sebastiaan C.M. , Wiersinga Willem J. , Poll Tom van der
Published: July 2024

Sepsis stands as a prominent contributor to sickness and death on a global scale. The most current consensus definition characterizes sepsis as a life-threatening organ dysfunction stemming from an imbalanced host response to infection. This definition does not capture the intricate array of immune processes at play in sepsis, marked by simultaneous states of heightened inflammation and immune suppression. This overview delves into the immune-related processes of sepsis, elaborating about mechanisms involved in hyperinflammation and immune suppression. Moreover, we discuss stratification of patients with sepsis based on their immune profiles and how this could impact future sepsis management.
A valuable qualitative tool finds new applications
Authors: Green Leigh Ann
Published: July 2024

TOF-SIMS can be used effectively in quantitative analyses by employing a few best practices.
Tunable noninteracting free-energy density functionals for high-energy-density physics applications
Authors: Karasiev Valentin V. , Mihaylov Deyan I. , Zhang Shuai , Hinz Joshua P. , Goshadze R. M. N. , Hu S. X.
Published: July 2024

In this work, we introduce the concept of a tunable noninteracting free-energy density functional and present two examples realized: (i) via a simple one-parameter convex combination of two existing functionals and (ii) via the construction of a generalized gradient approximation (GGA) enhancement factor that contains one free parameter and is designed to satisfy a set of incorporated constraints. Functional (i), constructed as a combination of the local Thomas–Fermi and a pseudopotential-adapted GGA for the noninteracting free-energy, has already demonstrated its practical usability for establishing the high temperature end of the equation of state of deuterium [Phys. Rev. B 104, 144104 (2021)] and CHON resin [Phys. Rev. E 106, 045207 (2022)] for inertial confinement fusion applications. Hugoniot calculations for liquid deuterium are given as another example of how the application of computationally efficient orbital-free density functional theory (OF-DFT) can be utilized with the employment of the developed functionals. Once the functionals have been tuned such that the OF-DFT Hugoniot calculation matches the Kohn–Sham solution at some low-temperature point, agreement with the reference Kohn–Sham results for the rest of the high temperature Hugoniot path is very good with relative errors for compression and pressure on the order of 2% or less.
Thermal transport and topological analyses of the heat-carrying modes and their relevant local structures in variously dense amorphous alumina
Authors: Shiga Takuma , Minamitani Emi , Yamashita Yuichiro , Yagi Takashi , Taketoshi Naoyuki , Shigesato Yuzo , Kashiwagi Makoto
Published: July 2024

Engineering the thermal conductivities of amorphous materials is important for thermal management of various semiconducting devices. However, controlling the heat carriers—long-range propagating propagons and short-range hopping diffusons—in disordered lattices is difficult because the carriers are strongly correlated with lattice disorder. To clarify the relationship between lattice disorder and heat conduction, we must simultaneously investigate the important local structures hidden in a disordered system and the microscopic transport characteristics of propagons and diffusons. Here, we explore the variations in spectral thermal conductivity and the relevant local structures in amorphous alumina (a-Al2O3) at different densities by performing the spectral thermal transport and persistent homology analyses. As the density increases, the thermal conductivity of the high-frequency diffusons linearly increases but those of the propagons and low-frequency diffusons remain constant. The density increase enhances the local strain, thereby increasing the mean free paths of the high-frequency diffusons. The density of states competes with diffusivity, lowering the sensitivity of the density response to the thermal conductivity of low-frequency heat carriers. Furthermore, from the obtained topological features of the connections between the oxygen atoms, we inferred that the collapsed network of six-coordinated AlO6 octahedron clusters underlies the transport of high-frequency diffusons. Besides revealing the conductive pathways of heat-carrying modes in disordered lattices, topology-assisted spectral thermal transport analysis is useful for tailoring the thermal conductivities of amorphous materials.
Optimized laser production of thermonuclear neutrons from plasma of submicron-sized clusters
Authors: Gozhev D. A. , Bochkarev S. G. , Lobok M. G. , Brantov A. V. , Bychenkov V. Yu.
Published: July 2024

The concept of maximizing the D-D fusion neutron yield from the laser-heated large volume of cluster medium by matching the focal spot size and cluster plasma structural scales to the laser pulse intensity was confirmed. For this purpose, the three-dimensional particle-in-cell GEANT4 simulations have been performed by zoning of the large interaction domain. While considering a small domain of the entire interaction volume, which is partitioned into successive zones along laser propagation direction, a special algorithm was proposed allowing to reconstruct the integral spectrum of deuterons and D-D neutron yield. We demonstrate that it makes possible to specify high-performance laser–cluster neutron source following this concept. For example, for the submicron heavy water droplets heated by femtosecond laser pulse of the intensity 3×1019 W/cm2 a D-D neutron yield may reach 107 neutrons per 1 J of deposited laser energy if the intensity contrast ratio prevents premature cluster destruction. Such yield is considerably higher than achieved to date for microstructured targets.
The redesigned neutron imaging facility, NORMA at BNC, Budapest
Authors: Kis Zoltán
Published: July 2024

The Budapest Neutron Center operates the cold neutron beam imaging station, Neutron Optics and Radiography for Material Analysis (NORMA), for non-destructive testing. For the NORMA station, there have been increasing requests to reach higher spatial resolution and the ability to follow time-dependent processes. Therefore, the system used successfully so far was completely redesigned and installed for a variety of tasks. The new system is based on the principle of three independent modules, allowing for highly configurable settings. It is to find the right balance between the necessary spatial resolution, a sufficiently shorter or longer temporal resolution, and a large enough field of view. The systematic study of the setups clearly shows the parameters’ effects, helping to make the right choice for the measurement tasks. Among the rarely investigated parameters, we studied both the effect of the pixel binning and the change in the lens f-stop value on the spatial resolution. The newly improved NORMA facility allows the acquisition of high-quality neutron images for planned observations, e.g., local water kinetics in fuel cells.
A numerical study of the wall-modeled large-eddy simulations of attached and separated flows with a semi-coupled synthetic turbulence generator
Authors: Xu Hui , Chen Zuogang , Wu Qiangheng , Cai Youlin
Published: July 2024

The predictive accuracy of the fluctuations inside turbulent boundary layers directly relies on the upstream turbulence synthesizer in wall-modeled large-eddy simulations (WMLESs). The conventional fully coupled synthetic turbulence generator (STG) strongly depends on the grid topology and simultaneous advancement of the unsteady Reynolds-averaged region. In this study, the two-stage semi-coupled STG, which is tolerant to the grid topology and is cost-effective due to the compatibility with precursor methods, was investigated. First, the semi-coupled STG efficiently generated artificial turbulence based on the existing benchmark data in the calculations of the fully developed channel flow. The adaptation length of the STG was less than ten boundary layer thicknesses by means of the Reynolds stresses and wall shear stresses, while the downstream turbulence was sufficiently “mature” for the predictions of more complex flows. The semi-coupled method with different wall-modeling strategies was validated for the mildly separated flow over a flat strut. The steady two-dimensional (2D) precursor data at the inlet were effectively utilized by the STG to generate turbulence and the monitored pressure fluctuations agreed well with the experimental data. Finally, the calculations of the flow around a wing–body junction showed that the algebraic wall-modeled large-eddy simulation demonstrated good accuracy in predicting the horseshoe vortex at the symmetry plane, and coherent structures rapidly developed from the artificial turbulence generated by the STG. To conclude, the WMLES with the semi-coupled STG can effectively predict the unsteady fluctuations in the attached and separated boundary layers. The compatibility of the semi-coupled STG with precursor methods and the relatively low computational cost of the WMLES can broaden the application areas of the STG method in complex flows at high Reynolds numbers.
Strain engineering of electronic structure and thermoelectric properties of quasi-hexagonal fullerene monolayer
Authors: Wang Ruipeng , Li Haipeng , Shakoori Muhammad Asif , Cheng Xuechao , Hu Yuxiao , Wang Leyang
Published: July 2024

As a newly synthesized two-dimensional (2D) carbon material, monolayer quasi-hexagonal phase fullerene (qHP C60) has an excellent electronic structure and low thermal conductivity. qHP C60 attracted significant attention from scientists because it has potential applications in thermoelectric materials. Thermoelectric properties of 2D materials significantly depend on the transport of carriers (such as electrons and phonons), and strain engineering is an essential method for modulating the transport of electrons and phonons in 2D materials. However, the strain engineering method for the modulation of the thermoelectric properties of monolayer qHP C60 has not been reported yet. In the present paper, the first-principles combined with the non-equilibrium Green's function method are used to investigate the ballistic transport properties of electrons and phonons in monolayer qHP C60. The effects of temperature, chemical potential, and biaxial tensile strain on the thermoelectric transport parameters (including conductivity, Seebeck coefficient, power factor, and thermal conductivity) as well as the figure of merit (ZT) of monolayer qHP C60 are presented, compared, discussed, and analyzed. We found that monolayer qHP C60 exhibits anisotropic characteristics in electron and phonon transport properties, showcasing outstanding thermoelectric properties. The distinctive quasi-hexagonal phase fullerene network structure offers a novel platform for exploring innovative 2D thermoelectric materials in research. This study provides crucial theoretical insights to guide the designing and implementation of 2D thermoelectric materials based on fullerenes.
Flexible strained membranes of multiferroic TbMnO3
Authors: Shi H. , Ringe F. , Wang D. , Moran O. , Nayak K. , Jaiswal A. K. , Tacon M. Le , Fuchs D.
Published: July 2024

The multiferroic properties of TbMnO3 demonstrate high versatility under applied pressure, making the material potentially suitable for use in flexible electronics. Here, we report on the preparation of elastic freestanding TbMnO3 membranes with dominant (001) or (010) crystallographic out-of-plane orientation. Membranes with a thickness of 20 nm display orthorhombic bulk-like relaxed lattice parameters with strong suppression of twinning for the (010) oriented membranes. Strain in flexible membranes was tuned using a commercial strain cell device and characterized by Raman spectroscopy. The B1g out-of-phase oxygen-stretching mode, representative of the Mn–O bond distance, systematically shifts to lower energy with increasing strain (εmax ≈ 0.5%). The flexibility and elastic properties of the membranes allow for specific manipulation of the multiferroic state by strain, whereas the choice of the crystallographic orientation gives the possibility of an in- or out-of-plane electric polarization.
General guide concepts for compact, high-brilliance neutron moderators
Authors: Liu Yaohua
Published: July 2024

The trend in neutron sciences is toward integrating compact, high-brightness moderators into new or upgraded facilities. Transporting neutrons from the source to the sample position with a phase-space distribution tailored to specific requirements is crucial to leverage high source brilliance. We have investigated four guide concepts using Monte Carlo ray tracing simulations: Montel beamline with nested Kirkpatrick–Baez mirrors, curved-tapered beamline with a bender and straight sections, straight-elliptical beamline, and curved-elliptical beamline. The straight-elliptical (curved-elliptical) beamline features two half-ellipse guides connected by a straight (non-straight) guide section. The neutron transport efficiency and phase space homogeneity have been quantitatively compared. Our results show that the straight-elliptical beamline performs best because of few neutron bounces on the guide surface with small reflection angles, minimizing flux loss. The Montel beamline provides the best spatial confinement of neutrons within the desired region; however, there is a high thermal-neutron loss due to large reflection angles. The curved-tapered beamline suffers from significant flux loss due to high bounces, and it shows a non-uniform angular distribution related to broad ranges of bounces and reflection angles. The non-straight guide section of the curved-elliptical beamline increases the phase space inhomogeneity, leading to a spatially non-uniform beam profile. The results apply to general neutron instruments that require transporting thermal and cold neutrons from a compact, high-brilliance moderator to the sample location with a moderate phase-space volume.
Extreme events in SQUID trimer
Authors: Dinesh Vijay S. , Leo Kingston S. , Kumarasamy Suresh , Kapitaniak Tomasz
Published: July 2024

The formation of distinct intermittent large-amplitude dynamics has been investigated in three magnetically coupled Superconducting QUantum Interference Devices (SQUIDs). The proposed model manifests abrupt large-amplitude events from a bounded region at sporadic time intervals. The unforeseen deviation occurs from either regular or chaotic motion via different dynamical processes of interior crisis-induced intermittency, Pomeau–Manneville intermittency, and quasiperiodic intermittency. The advent of extremely large-amplitude dynamics and their transition are evaluated, using appropriate dynamical and statistical analyses. Our observation enlightened the possibility of utilizing the SQUIDs more efficiently and harmlessly in distinct applications while taking note of the emergence of atypical behavior in the system.
Characteristics of radiation belt energetic protons and the movement of their core location in response to geomagnetic disturbances
Authors: Huang Hanyu , Zou Zhengyang , Hu Jiahui , San Wen , Yuan Qitong , Zhu Beiqing , Zhou Wentao
Published: July 2024

The energetic protons trapped within the Earth's radiation belt play a crucial role in substantially impacting the behavior of the ring current, which in turn affects the dynamics of energetic particles. Here, we statistically analyze and discuss the global distributions and temporal evolutions of them at energies from 55 keV to 489 keV by using 7-year (2012–2019) observations by radiation belt storm probes ion composition experiment onboard Van Allen Probes. The observations show that low-energy protons (55–148 keV) are distributed at higher L shells (L > 4), which can deeply penetrate during intense storms. The high-energy protons (221–489 keV) are mainly located at L < 4.5 and are comparably stable. Moreover, the core location (i.e., Lc, the L shell with the peak flux) of them is typically energy-dependent and can be displaced due to geomagnetic storms. Detailed analysis reveals that the Lc for low-energy protons is primarily outside the plasmapause location (Lpp), which can rapidly radially move. However, the Lc for high-energy protons is essentially inside Lpp and is harder to move. The Lc for intermediate-energy protons exhibits fluctuations around Lpp, indicating a clear competition between source and loss processes. In addition, alternative mechanisms, such as wave–particle interactions, are primarily responsible for the gradual variation of them after storms. Our study provides the total configuration of the radiation belt energetic protons measured in the Van Allen Probe era, which would be useful for better understanding the variation of trapped particles in the inner magnetosphere.
Experimental verification of novel double-wall structure with pin-fins and slots
Authors: You Ruquan , Liu Runzhou , Li Haiwang , Jiang Yan
Published: July 2024

This Letter proposes a novel double-wall structure with pin-fins and slot holes. The overall cooling effectiveness and characteristics of flow field at the slot outlet are verified by infrared thermal imager and particle image velocimetry technology. The results indicate that when the overall cooling effectiveness is nearly identical, the coolant consumption of the double-wall structure proposed in this study is 33.3% lower than that of conventional impingement/effusion structures. Our findings indicate the presence of counter-rotating vortex pairs within the slot film coverage. This phenomenon is expected to result in the accumulation and uplift of coolant downstream of the vortex pairs.
Optimal three-dimensional particle shapes for maximally dense saturated packing
Authors: Qian Yutong , Li Shuixiang
Published: July 2024

Saturated packing is a random packing state of particles widely applied in investigating the physicochemical properties of granular materials. Optimizing particle shape to maximize packing density is a crucial challenge in saturated packing research. The known optimal three-dimensional shape is an ellipsoid with a saturated packing density of 0.437 72(51). In this work, we generate saturated packings of three-dimensional asymmetric shapes, including spherocylinders, cones, and tetrahedra, via the random sequential adsorption algorithm and investigate their packing properties. Results show that the optimal shape of asymmetric spherocylinders gives the maximum density of 0.4338(9), while cones achieve a higher value of 0.4398(10). Interestingly, tetrahedra exhibit two distinct optimal shapes with significantly high densities of 0.4789(19) and 0.4769(18), which surpass all previous results in saturated packing. The study of adsorption kinetics reveals that the two optimal shapes of tetrahedra demonstrate notably higher degrees of freedom and faster growth rates of the particle number. The analysis of packing structures via the density pair-correlation function shows that the two optimal shapes of tetrahedra possess faster transitions from local to global packing densities.
Epidemic spreading on spatial higher-order network
Authors: Gu Wenbin , Qiu Yue , Li Wenjie , Zhang Zengping , Liu Xiaoyang , Song Ying , Wang Wei
Published: July 2024

Higher-order interactions exist widely in mobile populations and are extremely important in spreading epidemics, such as influenza. However, research on high-order interaction modeling of mobile crowds and the propagation dynamics above is still insufficient. Therefore, this study attempts to model and simulate higher-order interactions among mobile populations and explore their impact on epidemic transmission. This study simulated the spread of the epidemic in a spatial high-order network based on agent-based model modeling. It explored its propagation dynamics and the impact of spatial characteristics on it. Meanwhile, we construct state-specific rate equations based on the uniform mixing assumption for further analysis. We found that hysteresis loops are an inherent feature of high-order networks in this space under specific scenarios. The evolution curve roughly presents three different states with the initial value change, showing different levels of the endemic balance of low, medium, and high, respectively. Similarly, network snapshots and parameter diagrams also indicate these three types of equilibrium states. Populations in space naturally form components of different sizes and isolations, and higher initial seeds generate higher-order interactions in this spatial network, leading to higher infection densities. This phenomenon emphasizes the impact of high-order interactions and high-order infection rates in propagation. In addition, crowd density and movement speed act as protective and inhibitory factors for epidemic transmission, respectively, and depending on the degree of movement weaken or enhance the effect of hysteresis loops.
A new route to synthetic diamond
Authors: Fattaruso Laura
Published: July 2024

Most diamonds are formed at pressures exceeding 40 000 atm. With a new approach, nanocrystals can be grown in a liquid-metal mixture at just 1 atm.
Exploring Mars’s harsh atmosphere
Authors: Yiğit Erdal
Published: July 2024

Getting humans to Mars is difficult enough. But things won’t be any easier after they arrive: The red planet’s climate and weather are anything but friendly.
Growing three-dimensional objects with light
Authors: Lipkowitz Gabriel , Saccone Max A. , Panzer Matthew A. , Coates Ian A. , Hsiao Kaiwen , Ilyn Daniel , Kronenfeld Jason M. , Tumbleston John R. , Shaqfeh Eric S. G. , DeSimone Joseph M.
Published: July 2024

Vat photopolymerization (VP) additive manufacturing enables fabrication of complex 3D objects by using light to selectively cure a liquid resin. Developed in the 1980s, this technique initially had few practical applications due to limitations in print speed and final part material properties. In the four decades since the inception of VP, the field has matured substantially due to simultaneous advances in light delivery, interface design, and materials chemistry. Today, VP materials are used in a variety of practical applications and are produced at industrial scale. In this perspective, we trace the developments that enabled this printing revolution by focusing on the enabling themes of light, interfaces, and materials. We focus on these fundamentals as they relate to continuous liquid interface production (CLIP), but provide context for the broader VP field. We identify the fundamental physics of the printing process and the key breakthroughs that have enabled faster and higher-resolution printing, as well as production of better materials. We show examples of how in situ print process monitoring methods such as optical coherence tomography can drastically improve our understanding of the print process. Finally, we highlight areas of recent development such as multimaterial printing and inorganic material printing that represent the next frontiers in VP methods.
Hemispheric functional organization, as revealed by naturalistic neuroimaging, in pediatric epilepsy patients with cortical resections
Authors: Robert Sophia , Granovetter Michael C. , Patterson Christina , Behrmann Marlene
Published: July 2024

Functional changes in the pediatric brain following neural injuries attest to remarkable feats of plasticity. Investigations of the neurobiological mechanisms that underlie this plasticity have largely focused on activation in the penumbra of the lesion or in contralesional, homotopic regions. Here, we adopt a whole-brain approach to evaluate the plasticity of the cortex in patients with large unilateral cortical resections due to drug-resistant childhood epilepsy. We compared the functional connectivity (FC) in patients’ preserved hemisphere with the corresponding hemisphere of matched controls as they viewed and listened to a movie excerpt in a functional magnetic resonance imaging (fMRI) scanner. The preserved hemisphere was segmented into 180 and 200 parcels using two different anatomical atlases. We calculated all pairwise multivariate statistical dependencies between parcels, or parcel edges, and between 22 and 7 larger-scale functional networks, or network edges, aggregated from the smaller parcel edges. Both the left and right hemisphere–preserved patient groups had widespread reductions in FC relative to matched controls, particularly for within-network edges. A case series analysis further uncovered subclusters of patients with distinctive edgewise changes relative to controls, illustrating individual postoperative connectivity profiles. The large-scale differences in networks of the preserved hemisphere potentially reflect plasticity in the service of maintained and/or retained cognitive function.
The European Union Emissions Trading System might yield large co-benefits from pollution reduction
Authors: Basaglia Piero , Grunau Jonas , Drupp Moritz A.
Published: July 2024

Mitigating greenhouse gas emissions and reducing air pollution represent two pressing and interwoven environmental challenges. While international carbon markets, such as the European Union emissions trading system (EU ETS), have demonstrated their effectiveness in curbing carbon emissions (CO2), their indirect impact on hazardous co-pollutants remains understudied. This study investigates how key toxic air pollutants—sulfur dioxide (SO2), fine particulate matter (PM2.5), and nitrogen oxides (NOx)—evolved after the introduction of the EU ETS with a comparative analysis of regulated and unregulated sectors. Leveraging the generalized synthetic control method, we offer an ex post analysis of how the EU ETS and concurrent emission standards may have jointly generated sizable pollution reductions in regulated sectors between 2005 and 2021. We provide an aggregate assessment that these pollution reductions could translate into large health co-benefits, potentially in the hundreds of billions of Euros, even when bounding the effect of emission standards. These order-of-magnitude estimates underscore key implications for policy appraisal and motivate further microlevel research around the health co-benefits of carbon abatement.
The role of positive emotion in harmful health behavior: Implications for theory and public health campaigns
Authors: Wang Ke , Rees Vaughan W. , Dorison Charles A. , Kawachi Ichiro , Lerner Jennifer S.
Published: July 2024

Meta-analyses have concluded that positive emotions do not reduce appetitive risk behaviors (risky behaviors that fulfill appetitive or craving states, such as smoking and excessive alcohol use). We propose that this conclusion is premature. Drawing on the Appraisal Tendency Framework and related theories of emotion and decision-making, we hypothesized that gratitude (a positive emotion) can decrease cigarette smoking, a leading cause of premature death globally. A series of multimethod studies provided evidence supporting our hypothesis (collective
N
= 34,222). Using nationally representative US samples and an international sample drawn from 87 countries, Studies 1 and 2 revealed that gratitude was inversely associated with likelihood of smoking, even after accounting for numerous covariates. Other positive emotions (e.g., compassion) lacked such consistent associations, as expected. Study 3, and its replication, provided further support for emotion specificity: Experimental induction of gratitude, unlike compassion or sadness, reduced cigarette craving compared to a neutral state. Study 4, and its replication, showed that inducing gratitude causally increased smoking cessation behavior, as evidenced by enrollment in a web-based cessation intervention. Self-reported gratitude mediated the effects in both experimental studies. Finally, Study 5 found that current antismoking messaging campaigns by the US Centers for Disease Control and Prevention primarily evoked sadness and compassion, but seldom gratitude. Together, our studies advance understanding of positive emotion effects on appetitive risk behaviors; they also offer practical implications for the design of public health campaigns.