bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct observation of tunable thermal conductance at solid/porous crystalline solid interfaces induced by water adsorbates
Authors: Wang Guang , Fan Hongzhao , Li Jiawang , Li Zhigang , Zhou Yanguang 
Published: March 2024

AbstractImproving interfacial thermal transport is crucial for heat dissipation in devices with interfaces, such as electronics, buildings, and solar panels. Here, we design a strategy by utilizing the water adsorption-desorption process in porous metal-organic frameworks (MOFs) to tune the interfacial heat transfer, which could benefit their potential in cooling or heat dissipation applications. We observe a changeable thermal conductance across the solid/porous MOF interfaces owing to the dense water channel formed by the adsorbed water molecules in MOFs. Our experimental and/or modeling results show that the interfacial thermal conductance of Au/Cu3(BTC)2, Au/Zr6O4(OH)4(BDC)6 and Au/MOF-505 heterointerfaces is increased up to 7.1, 1.7 and 3.1 folds by this strategy, respectively, where Cu3(BTC)2 is referred to as HKUST-1 and Zr6O4(OH)4(BDC)6 is referred to as UiO-66. Our molecular dynamics simulations further show that the surface tension of Au layer will cause the adsorbed water molecules in MOFs to gather at the interfacial region. The dense water channel formed at the interfacial region can activate the high-frequency lattice vibrations and act as an additional thermal pathway, and then enhance heat transfer across the interfaces significantly. Our findings revealed the underlying mechanisms for tailoring thermal transport at the solid/porous MOF heterointerfaces by water adsorbates, which could motivate and benefit the new cooling system design based on MOFs.
Valence-isomer selective cycloaddition reaction of cycloheptatrienes-norcaradienes
Authors: Harada Shingo , Takenaka Hiroki , Ito Tsubasa , Kanda Haruki , Nemoto Tetsuhiro 
Published: March 2024

AbstractThe rapid and precise creation of complex molecules while controlling multiple selectivities is the principal objective in synthetic chemistry. Combining data science and organic synthesis to achieve this goal is an emerging trend, but few examples of successful reaction designs are reported. We develop an artificial neural network regression model using bond orbital data to predict chemical reactivities. Actual experimental verification confirms cycloheptatriene-selective [6 + 2]-cycloaddition utilizing nitroso compounds and norcaradiene-selective [4 + 2]-cycloaddition reactions employing benzynes. Additionally, a one-pot asymmetric synthesis is achieved by telescoping the enantioselective dearomatization of non-activated benzenes and cycloadditions. Computational studies provide a rational explanation for the seemingly anomalous occurrence of thermally prohibited suprafacial [6 + 2]-cycloaddition without photoirradiation.
Pressure-tuned quantum criticality in the large-D antiferromagnet DTN
Authors: Povarov Kirill Yu. , Graf David E. , Hauspurg Andreas , Zherlitsyn Sergei , Wosnitza Joachim , Sakurai Takahiro , Ohta Hitoshi , Kimura Shojiro , Nojiri Hiroyuki , Garlea V. Ovidiu , Zheludev Andrey , Paduan-Filho Armando , Nicklas Michael , Zvyagin Sergei A. 
Published: March 2024

AbstractStrongly correlated spin systems can be driven to quantum critical points via various routes. In particular, gapped quantum antiferromagnets can undergo phase transitions into a magnetically ordered state with applied pressure or magnetic field, acting as tuning parameters. These transitions are characterized by z = 1 or z = 2 dynamical critical exponents, determined by the linear and quadratic low-energy dispersion of spin excitations, respectively. Employing high-frequency susceptibility and ultrasound techniques, we demonstrate that the tetragonal easy-plane quantum antiferromagnet NiCl2 ⋅ 4SC(NH2)2 (aka DTN) undergoes a spin-gap closure transition at about 4.2 kbar, resulting in a pressure-induced magnetic ordering. The studies are complemented by high-pressure-electron spin-resonance measurements confirming the proposed scenario. Powder neutron diffraction measurements revealed that no lattice distortion occurs at this pressure and the high spin symmetry is preserved, establishing DTN as a perfect platform to investigate z = 1 quantum critical phenomena. The experimental observations are supported by DMRG calculations, allowing us to quantitatively describe the pressure-driven evolution of critical fields and spin-Hamiltonian parameters in DTN.
Thermophoretic glycan profiling of extracellular vesicles for triple-negative breast cancer management
Authors: Li Yike , Zhang Shaohua , Liu Chao , Deng Jinqi , Tian Fei , Feng Qiang , Qin Lili , Bai Lixiao , Fu Ting , Zhang Liqin , Wang Yuguang , Sun Jiashu 
Published: March 2024

AbstractTriple-negative breast cancer (TNBC) is a highly metastatic and heterogeneous type of breast cancer with poor outcomes. Precise, non-invasive methods for diagnosis, monitoring and prognosis of TNBC are particularly challenging due to a paucity of TNBC biomarkers. Glycans on extracellular vesicles (EVs) hold the promise as valuable biomarkers, but conventional methods for glycan analysis are not feasible in clinical practice. Here, we report that a lectin-based thermophoretic assay (EVLET) streamlines vibrating membrane filtration (VMF) and thermophoretic amplification, allowing for rapid, sensitive, selective and cost-effective EV glycan profiling in TNBC plasma. A pilot cohort study shows that the EV glycan signature reaches 91% accuracy for TNBC detection and 96% accuracy for longitudinal monitoring of TNBC therapeutic response. Moreover, we demonstrate the potential of EV glycan signature for predicting TNBC progression. Our EVLET system lays the foundation for non-invasive cancer management by EV glycans.
Intragrain impurity annihilation for highly efficient and stable perovskite solar cells
Authors: Cai Songhua , Li Zhipeng , Zhang Yalan , Liu Tanghao , Wang Peng , Ju Ming-Gang , Pang Shuping , Lau Shu Ping , Zeng Xiao Cheng , Zhou Yuanyuan 
Published: March 2024

AbstractIntragrain impurities can impart detrimental effects on the efficiency and stability of perovskite solar cells, but they are indiscernible to conventional characterizations and thus remain unexplored. Using in situ scanning transmission electron microscopy, we reveal that intragrain impurity nano-clusters inherited from either the solution synthesis or post-synthesis storage can revert to perovskites upon irradiation stimuli, leading to the counterintuitive amendment of crystalline grains. In conjunction with computational modelling, we atomically resolve crystallographic transformation modes for the annihilation of intragrain impurity nano-clusters and probe their impacts on optoelectronic properties. Such critical fundamental findings are translated for the device advancement. Adopting a scanning laser stimulus proven to heal intragrain impurity nano-clusters, we simultaneously boost the efficiency and stability of formamidinium-cesium perovskite solar cells, by virtual of improved optoelectronic properties and relaxed intra-crystal strain, respectively. This device engineering, inspired and guided by atomic-scale in situ microscopic imaging, presents a new prototype for solar cell advancement.
A blood-based biomarker workflow for optimal tau-PET referral in memory clinic settings
Authors: Brum Wagner S. , Cullen Nicholas C. , Therriault Joseph , Janelidze Shorena , Rahmouni Nesrine , Stevenson Jenna , Servaes Stijn , Benedet Andrea L. , Zimmer Eduardo R. , Stomrud Erik , Palmqvist Sebastian , Zetterberg Henrik , Frisoni Giovanni B. , Ashton Nicholas J. , Blennow Kaj , Mattsson-Carlgren Niklas , Rosa-Neto Pedro , Hansson Oskar 
Published: March 2024

AbstractBlood-based biomarkers for screening may guide tau positrion emissition tomography (PET) scan referrals to optimize prognostic evaluation in Alzheimer’s disease. Plasma Aβ42/Aβ40, pTau181, pTau217, pTau231, NfL, and GFAP were measured along with tau-PET in memory clinic patients with subjective cognitive decline, mild cognitive impairment or dementia, in the Swedish BioFINDER-2 study (n = 548) and in the TRIAD study (n = 179). For each plasma biomarker, cutoffs were determined for 90%, 95%, or 97.5% sensitivity to detect tau-PET-positivity. We calculated the percentage of patients below the cutoffs (who would not undergo tau-PET; “saved scans”) and the tau-PET-positivity rate among participants above the cutoffs (who would undergo tau-PET; “positive predictive value”). Generally, plasma pTau217 performed best. At the 95% sensitivity cutoff in both cohorts, pTau217 resulted in avoiding nearly half tau-PET scans, with a tau-PET-positivity rate among those who would be referred for a scan around 70%. And although tau-PET was strongly associated with subsequent cognitive decline, in BioFINDER-2 it predicted cognitive decline only among individuals above the referral cutoff on plasma pTau217, supporting that this workflow could reduce prognostically uninformative tau-PET scans. In conclusion, plasma pTau217 may guide selection of patients for tau-PET, when accurate prognostic information is of clinical value.
The discovery of three-dimensional Van Hove singularity
Authors: Wu Wenbin , Shi Zeping , Ozerov Mykhaylo , Du Yuhan , Wang Yuxiang , Ni Xiao-Sheng , Meng Xianghao , Jiang Xiangyu , Wang Guangyi , Hao Congming , Wang Xinyi , Zhang Pengcheng , Pan Chunhui , Pan Haifeng , Sun Zhenrong , Yang Run , Xu Yang , Hou Yusheng , Yan Zhongbo , Zhang Cheng , Lu Hai-Zhou , Chu Junhao , Yuan Xiang 
Published: March 2024

AbstractArising from the extreme/saddle point in electronic bands, Van Hove singularity (VHS) manifests divergent density of states (DOS) and induces various new states of matter such as unconventional superconductivity. VHS is believed to exist in one and two dimensions, but rarely found in three dimension (3D). Here, we report the discovery of 3D VHS in a topological magnet EuCd2As2 by magneto-infrared spectroscopy. External magnetic fields effectively control the exchange interaction in EuCd2As2, and shift 3D Weyl bands continuously, leading to the modification of Fermi velocity and energy dispersion. Above the critical field, the 3D VHS forms and is evidenced by the abrupt emergence of inter-band transitions, which can be quantitatively described by the minimal model of Weyl semimetals. Three additional optical transitions are further predicted theoretically and verified in magneto-near-infrared spectra. Our results pave the way to exploring VHS in 3D systems and uncovering the coordination between electronic correlation and the topological phase.
Revealing Fermi surface evolution and Berry curvature in an ideal type-II Weyl semimetal
Authors: Jiang Qianni , Palmstrom Johanna C. , Singleton John , Chikara Shalinee , Graf David , Wang Chong , Shi Yue , Malinowski Paul , Wang Aaron , Lin Zhong , Shen Lingnan , Xu Xiaodong , Xiao Di , Chu Jiun-Haw 
Published: March 2024

AbstractIn type-II Weyl semimetals (WSMs), the tilting of the Weyl cones leads to the coexistence of electron and hole pockets that touch at the Weyl nodes. These electrons and holes experience the Berry curvature generated by the Weyl nodes, leading to an anomalous Hall effect that is highly sensitive to the Fermi level position. Here we have identified field-induced ferromagnetic MnBi2-xSbxTe4 as an ideal type-II WSM with a single pair of Weyl nodes. By employing a combination of quantum oscillations and high-field Hall measurements, we have resolved the evolution of Fermi-surface sections as the Fermi level is tuned across the charge neutrality point, precisely matching the band structure of an ideal type-II WSM. Furthermore, the anomalous Hall conductivity exhibits a heartbeat-like behavior as the Fermi level is tuned across the Weyl nodes, a feature of type-II WSMs that was long predicted by theory. Our work uncovers a large free carrier contribution to the anomalous Hall effect resulting from the unique interplay between the Fermi surface and diverging Berry curvature in magnetic type-II WSMs.
Mixed tin-lead perovskites with balanced crystallization and oxidation barrier for all-perovskite tandem solar cells
Authors: Zhou Jin , Fu Shiqiang , Zhou Shun , Huang Lishuai , Wang Cheng , Guan Hongling , Pu Dexin , Cui Hongsen , Wang Chen , Wang Ti , Meng Weiwei , Fang Guojia , Ke Weijun 
Published: March 2024

AbstractMixed tin-lead perovskite solar cells have driven a lot of passion for research because of their vital role in all-perovskite tandem solar cells, which hold the potential for achieving higher efficiencies compared to single-junction counterparts. However, the pronounced disparity in crystallization processes between tin-based perovskites and lead-based perovskites, coupled with the easy Sn2+ oxidation, has long been a dominant factor contributing to high defect densities. In this study, we propose a multidimensional strategy to achieve efficient tin-lead perovskite solar cells by employing a functional N-(carboxypheny)guanidine hydrochloride molecule. The tailored N-(carboxypheny)guanidine hydrochloride molecule plays a pivotal role in manipulating the crystallization and grain growth of tin-lead perovskites, while also serving as a preservative to effectively inhibit Sn2+ oxidation, owing to the strong binding between N-(carboxypheny)guanidine hydrochloride and tin (II) iodide and the elevated energy barriers for oxidation. Consequently, single-junction tin-lead cells exhibit a stabilized power conversion efficiency of 23.11% and can maintain 97.45% of their initial value even after 3500 h of shelf storage in an inert atmosphere without encapsulation. We further integrate tin-lead perovskites into two-terminal monolithic all-perovskite tandem cells, delivering a certified efficiency of 27.35%.
Regulation of meiotic telomere dynamics through membrane fluidity promoted by AdipoR2-ELOVL2
Authors: Zhang Jingjing , Ruiz Mario , Bergh Per-Olof , Henricsson Marcus , Stojanović Nena , Devkota Ranjan , Henn Marius , Bohlooly-Y Mohammad , Hernández-Hernández Abrahan , Alsheimer Manfred , Borén Jan , Pilon Marc , Shibuya Hiroki 
Published: March 2024

AbstractThe cellular membrane in male meiotic germ cells contains a unique class of phospholipids and sphingolipids that is required for male reproduction. Here, we show that a conserved membrane fluidity sensor, AdipoR2, regulates the meiosis-specific lipidome in mouse testes by promoting the synthesis of sphingolipids containing very-long-chain polyunsaturated fatty acids (VLC-PUFAs). AdipoR2 upregulates the expression of a fatty acid elongase, ELOVL2, both transcriptionally and post-transcriptionally, to synthesize VLC-PUFA. The depletion of VLC-PUFAs and subsequent accumulation of palmitic acid in AdipoR2 knockout testes stiffens the cellular membrane and causes the invagination of the nuclear envelope. This condition impairs the nuclear peripheral distribution of meiotic telomeres, leading to errors in homologous synapsis and recombination. Further, the stiffened membrane impairs the formation of intercellular bridges and the germ cell syncytium, which disrupts the orderly arrangement of cell types within the seminiferous tubules. According to our findings we propose a framework in which the highly-fluid membrane microenvironment shaped by AdipoR2-ELOVL2 underpins meiosis-specific chromosome dynamics in testes.
Supra-biological performance of immobilized enzymes enabled by chaperone-like specific non-covalent interactions
Authors: Sánchez-Morán Héctor , Kaar Joel L. , Schwartz Daniel K. 
Published: March 2024

AbstractDesigning complex synthetic materials for enzyme immobilization could unlock the utility of biocatalysis in extreme environments. Inspired by biology, we investigate the use of random copolymer brushes as dynamic immobilization supports that enable supra-biological catalytic performance of immobilized enzymes. This is demonstrated by immobilizing Bacillus subtilis Lipase A on brushes doped with aromatic moieties, which can interact with the lipase through multiple non-covalent interactions. Incorporation of aromatic groups leads to a 50 °C increase in the optimal temperature of lipase, as well as a 50-fold enhancement in enzyme activity. Single-molecule FRET studies reveal that these supports act as biomimetic chaperones by promoting enzyme refolding and stabilizing the enzyme’s folded and catalytically active state. This effect is diminished when aromatic residues are mutated out, suggesting the importance of π-stacking and π-cation interactions for stabilization. Our results underscore how unexplored enzyme-support interactions may enable uncharted opportunities for using enzymes in industrial biotransformations.
Atomically precise engineering of spin–orbit polarons in a kagome magnetic Weyl semimetal
Authors: Chen Hui , Xing Yuqing , Tan Hengxin , Huang Li , Zheng Qi , Huang Zihao , Han Xianghe , Hu Bin , Ye Yuhan , Li Yan , Xiao Yao , Lei Hechang , Qiu Xianggang , Liu Enke , Yang Haitao , Wang Ziqiang , Yan Binghai , Gao Hong-Jun 
Published: March 2024

AbstractAtomically precise defect engineering is essential to manipulate the properties of emerging topological quantum materials for practical quantum applications. However, this remains challenging due to the obstacles in modifying the typically complex crystal lattice with atomic precision. Here, we report the atomically precise engineering of the vacancy-localized spin–orbit polarons in a kagome magnetic Weyl semimetal Co3Sn2S2, using scanning tunneling microscope. We achieve the step-by-step repair of the selected vacancies, leading to the formation of artificial sulfur vacancies with elaborate geometry. We find that that the bound states localized around these vacancies undergo a symmetry dependent energy shift towards Fermi level with increasing vacancy size. As the vacancy size increases, the localized magnetic moments of spin–orbit polarons become tunable and eventually become itinerantly negative due to spin–orbit coupling in the kagome flat band. These findings provide a platform for engineering atomic quantum states in topological quantum materials at the atomic scale.
Efficient finite strain elasticity solver for phase-field simulations
Authors: Shchyglo Oleg , Ali Muhammad Adil , Salama Hesham 
Published: March 2024

AbstractWe present an effective mechanical equilibrium solution algorithm suitable for finite strain consideration within the phase-field method. The proposed algorithm utilizes a Fourier space solution in its core. The performance of the proposed algorithm is demonstrated using the St. Venant–Kirchhoff hyperelastic model, but the algorithm is also applicable to other hyperelastic models. The use of the fast Fourier transformation routines and fast convergence within several iterations for most common simulation scenarios makes the proposed algorithm suitable for phase-field simulations of rapidly evolving microstructures. Additionally, the proposed algorithm allows using different strain measures depending on the requirements of the underlying problem. The algorithm is implemented in the OpenPhase phase-field simulation library. A set of example simulations ranging from simple geometries to complex microstructures is presented. The effect of different externally applied mechanical boundary conditions and internal forces is also demonstrated. The proposed algorithm can be considered a straightforward update to already existing small strain solvers based on Fourier space solutions.
Future opportunities in solar system plasma science through ESA’s exploration programme
Authors: Holmstrom Mats , Lester Mark , Sanchez-Cano Beatriz 
Published: March 2024

AbstractThe solar wind interacts with all solar system bodies, inducing different types of dynamics depending on their atmospheric and magnetic environments. We here outline some key open scientific questions related to this interaction, with a focus on the Moon and Mars, that may be addressed by future Mars and Moon missions by the European Space Agency’s Human and Robotic Exploration programme. We describe possible studies of plasma interactions with bodies with and without an atmosphere, using multi-point and remote measurements, and energetic particle observations, as well as recommend some actions to take.
Field testing the transferability of behavioural science knowledge on promoting vaccinations
Authors: Saccardo Silvia , Dai Hengchen , Han Maria A. , Vangala Sitaram , Hoo Juyea , Fujimoto Jeffrey 
Published: March 2024

AbstractAs behavioural science is increasingly adopted by organizations, there is a growing need to assess the robustness and transferability of empirical findings. Here, we investigate the transferability of insights from various sources of behavioural science knowledge to field settings. Across three pre-registered randomized controlled trials (RCTs, N = 314,824) involving a critical policy domain—COVID-19 booster uptake—we field tested text-based interventions that either increased vaccinations in prior field work (RCT1, NCT05586204), elevated vaccination intentions in an online study (RCT2, NCT05586178) or were favoured by scientists and non-experts (RCT3, NCT05586165). Despite repeated exposure to COVID-19 vaccination messaging in our population, reminders and psychological ownership language increased booster uptake, replicating prior findings. However, strategies deemed effective by prediction or intention surveys, such as encouraging the bundling of COVID-19 boosters and flu shots or addressing misconceptions, yielded no detectable benefits over simple reminders. These findings underscore the importance of testing interventions’ transferability to real-world settings.
A Georeferenced Dataset for Mapping and Assessing Subgrade Defects in China’s High-Speed Railways
Authors: Wang Jinchen , Wang Luqi , Zhang Yinsheng , Zhang Jingyu , Li Jianlin , Li Sen 
Published: March 2024

AbstractChina has the world’s longest high-speed rail (HSR) network, marked by dense transportation and complex operations. However, frequent train use coupled with extreme weather conditions has led to rising subgrade issues. Existing railway defect records suffer from inconsistency, hindering direct applicability. Currently, there is a lack of a relevant dataset dedicated to HSR subgrade defects. To bridge this gap, we developed a comprehensive georeferenced dataset that encompasses defect records extracted from peer-reviewed literature published between 1999 and 2023 in China. Rigorous quality control procedures were implemented to eliminate duplicate data and ensure the accuracy of the dataset. The dataset consists of georeferenced records for eight different defects, spanning across 661 locations and categorized at various scales, ranging from provinces to townships. The most commonly reported defect types include subgrade settlement, frost damage, uplift deformation, and mud pumping. This dataset provides a comprehensive map of historical subgrade defects affecting high-speed railways in China. It could facilitate operational risk assessments and the prediction of subgrade performance.