bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structures of active Hantaan virus polymerase uncover the mechanisms of Hantaviridae genome replication
Authors: Durieux Trouilleton Quentin , Barata-García Sergio , Arragain Benoît , Reguera Juan , Malet Hélène 
Published: May 2023

AbstractHantaviruses are causing life-threatening zoonotic infections in humans. Their tripartite negative-stranded RNA genome is replicated by the multi-functional viral RNA-dependent RNA-polymerase. Here we describe the structure of the Hantaan virus polymerase core and establish conditions for in vitro replication activity. The apo structure adopts an inactive conformation that involves substantial folding rearrangement of polymerase motifs. Binding of the 5′ viral RNA promoter triggers Hantaan virus polymerase reorganization and activation. It induces the recruitment of the 3′ viral RNA towards the polymerase active site for prime-and-realign initiation. The elongation structure reveals the formation of a template/product duplex in the active site cavity concomitant with polymerase core widening and the opening of a 3′ viral RNA secondary binding site. Altogether, these elements reveal the molecular specificities of Hantaviridae polymerase structure and uncover the mechanisms underlying replication. They provide a solid framework for future development of antivirals against this group of emerging pathogens.
Genetically encoded photocatalytic protein labeling enables spatially-resolved profiling of intracellular proteome
Authors: Zheng Fu , Yu Chenxin , Zhou Xinyue , Zou Peng 
Published: May 2023

AbstractMapping the subcellular organization of proteins is crucial for understanding their biological functions. Herein, we report a reactive oxygen species induced protein labeling and identification (RinID) method for profiling subcellular proteome in the context of living cells. Our method capitalizes on a genetically encoded photocatalyst, miniSOG, to locally generate singlet oxygen that reacts with proximal proteins. Labeled proteins are conjugated in situ with an exogenously supplied nucleophilic probe, which serves as a functional handle for subsequent affinity enrichment and mass spectrometry-based protein identification. From a panel of nucleophilic compounds, we identify biotin-conjugated aniline and propargyl amine as highly reactive probes. As a demonstration of the spatial specificity and depth of coverage in mammalian cells, we apply RinID in the mitochondrial matrix, capturing 477 mitochondrial proteins with 94% specificity. We further demonstrate the broad applicability of RinID in various subcellular compartments, including the nucleus and the endoplasmic reticulum (ER). The temporal control of RinID enables pulse-chase labeling of ER proteome in HeLa cells, which reveals substantially higher clearance rate for secreted proteins than ER resident proteins.
Robust charge-density-wave correlations in the electron-doped single-band Hubbard model
Authors: Mai Peizhi , Nichols Nathan S. , Karakuzu Seher , Bao Feng , Del Maestro Adrian , Maier Thomas A. , Johnston Steven 
Published: May 2023

AbstractThere is growing evidence that the hole-doped single-band Hubbard and t − J models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered ground states. Nevertheless, it is proposed that these models may still provide an effective low-energy model for electron-doped materials. Here we study the finite temperature spin and charge correlations in the electron-doped Hubbard model using quantum Monte Carlo dynamical cluster approximation calculations and contrast their behavior with those found on the hole-doped side of the phase diagram. We find evidence for a charge modulation with both checkerboard and unidirectional components decoupled from any spin-density modulations. These correlations are inconsistent with a weak-coupling description based on Fermi surface nesting, and their doping dependence agrees qualitatively with resonant inelastic x-ray scattering measurements. Our results provide evidence that the single-band Hubbard model describes the electron-doped cuprates.
Alanine supplementation exploits glutamine dependency induced by SMARCA4/2-loss
Authors: Zhu Xianbing , Fu Zheng , Chen Shary Y. , Ong Dionzie , Aceto Giulio , Ho Rebecca , Steinberger Jutta , Monast Anie , Pilon Virginie , Li Eunice , Ta Monica , Ching Kyle , Adams Bianca N. , Negri Gian L. , Choiniere Luc , Fu Lili , Pavlakis Kitty , Pirrotte Patrick , Avizonis Daina Z. , Trent Jeffrey , Weissman Bernard E. , Klein Geltink Ramon I. , Morin Gregg B. , Park Morag , Huntsman David G. , Foulkes William D. , Wang Yemin , Huang Sidong 
Published: May 2023

AbstractSMARCA4 (BRG1) and SMARCA2 (BRM) are the two paralogous ATPases of the SWI/SNF chromatin remodeling complexes frequently inactivated in cancers. Cells deficient in either ATPase have been shown to depend on the remaining counterpart for survival. Contrary to this paralog synthetic lethality, concomitant loss of SMARCA4/2 occurs in a subset of cancers associated with very poor outcomes. Here, we uncover that SMARCA4/2-loss represses expression of the glucose transporter GLUT1, causing reduced glucose uptake and glycolysis accompanied with increased dependency on oxidative phosphorylation (OXPHOS); adapting to this, these SMARCA4/2-deficient cells rely on elevated SLC38A2, an amino acid transporter, to increase glutamine import for fueling OXPHOS. Consequently, SMARCA4/2-deficient cells and tumors are highly sensitive to inhibitors targeting OXPHOS or glutamine metabolism. Furthermore, supplementation of alanine, also imported by SLC38A2, restricts glutamine uptake through competition and selectively induces death in SMARCA4/2-deficient cancer cells. At a clinically relevant dose, alanine supplementation synergizes with OXPHOS inhibition or conventional chemotherapy eliciting marked antitumor activity in patient-derived xenografts. Our findings reveal multiple druggable vulnerabilities of SMARCA4/2-loss exploiting a GLUT1/SLC38A2-mediated metabolic shift. Particularly, unlike dietary deprivation approaches, alanine supplementation can be readily applied to current regimens for better treatment of these aggressive cancers.
Membrane compression by synaptic vesicle exocytosis triggers ultrafast endocytosis
Authors: Ogunmowo Tyler H. , Jing Haoyuan , Raychaudhuri Sumana , Kusick Grant F. , Imoto Yuuta , Li Shuo , Itoh Kie , Ma Ye , Jafri Haani , Dalva Matthew B. , Chapman Edwin R. , Ha Taekjip , Watanabe Shigeki , Liu Jian 
Published: May 2023

AbstractCompensatory endocytosis keeps the membrane surface area of secretory cells constant following exocytosis. At chemical synapses, clathrin-independent ultrafast endocytosis maintains such homeostasis. This endocytic pathway is temporally and spatially coupled to exocytosis; it initiates within 50 ms at the region immediately next to the active zone where vesicles fuse. However, the coupling mechanism is unknown. Here, we demonstrate that filamentous actin is organized as a ring, surrounding the active zone at mouse hippocampal synapses. Assuming the membrane area conservation is due to this actin ring, our theoretical model suggests that flattening of fused vesicles exerts lateral compression in the plasma membrane, resulting in rapid formation of endocytic pits at the border between the active zone and the surrounding actin-enriched region. Consistent with model predictions, our data show that ultrafast endocytosis requires sufficient compression by exocytosis of multiple vesicles and does not initiate when actin organization is disrupted, either pharmacologically or by ablation of the actin-binding protein Epsin1. Our work suggests that membrane mechanics underlie the rapid coupling of exocytosis to endocytosis at synapses.
Isolation and characterization of bis(silylene)-stabilized antimony(I) and bismuth(I) cations
Authors: Wang Xuyang , Lei Binglin , Zhang Zhaoyin , Chen Ming , Rong Hua , Song Haibin , Zhao Lili , Mo Zhenbo 
Published: May 2023

AbstractMonovalent group 15 cations L2Pn + (L = σ-donor ligands, Pn = N, P, As, Sb, Bi) have attracted significant experimental and theoretical interest because of their unusual electronic structures and growing synthetic potential. Herein, we describe the synthesis of a family of antimony(I) and bismuth(I) cations supported by a bis(silylene) ligand [(TBDSi2)Pn][BArF4] (TBD = 1, 8, 10, 9-triazaboradecalin; ArF = 3,5-CF3-C6H3; Pn = Sb, (2); Bi, (3)). The structures of2and3have been unambiguously characterized spectroscopically and by X-ray diffraction analysis and DFT calculations. They feature bis-coordinated Sb and Bi atoms which exhibit two lone pairs of electrons. The reactions of2and3with methyl trifluoromethane sulfonate provide a approach for the preparation of dicationic antimony(III) and bismuth(III) methyl complexes. Compounds2and3serve as 2e donors to group 6 metals (Cr, Mo), giving rise to ionic antimony and bismuth metal carbonyl complexes6–9.
Evidence for structural control of mare volcanism in lunar compressional tectonic settings
Authors: Zhang Feng , Pizzi Alberto , Ruj Trishit , Komatsu Goro , Yin An , Dang Yanan , Liu Yang , Zou Yongliao 
Published: May 2023

AbstractOne of the long-standing enigmas for lunar tectonic-thermal evolution is the spatiotemporal association of contractional wrinkle ridges and basaltic volcanism in a compressional regime. Here, we show that most of the 30 investigated volcanic (eruptive) centers are linked to contractional wrinkle ridges developed above preexisting basin basement-involved ring/rim normal faults. Based on the tectonic patterns associated with the basin formation and mass loading and considering that during the subsequent compression the stress was not purely isotropic, we hypothesize that tectonic inversion produced not only thrust faults but also reactivated structures with strike-slip and even extensional components, thus providing a valid mechanism for magma transport through fault planes during ridge faulting and folding of basaltic layers. Our findings suggest that lunar syn-tectonic mare emplacement along reactivated inherited faults provides important records of basin-scale structure-involved volcanism, which is more complex than previously considered.
MoS2 nanopore identifies single amino acids with sub-1 Dalton resolution
Authors: Wang Fushi , Zhao Chunxiao , Zhao Pinlong , Chen Fanfan , Qiao Dan , Feng Jiandong 
Published: May 2023

AbstractThe sequencing of single protein molecules using nanopores is faced with a huge challenge due to the lack of resolution needed to resolve single amino acids. Here we report the direct experimental identification of single amino acids in nanopores. With atomically engineered regions of sensitivity comparable to the size of single amino acids, MoS2 nanopores provide a sub-1 Dalton resolution for discriminating the chemical group difference of single amino acids, including recognizing the amino acid isomers. This ultra-confined nanopore system is further used to detect the phosphorylation of individual amino acids, demonstrating its capability for reading post-translational modifications. Our study suggests that a sub-nanometer engineered pore has the potential to be applied in future chemical recognition and de novo protein sequencing at the single-molecule level.
Selective formation of acetate intermediate prolongs robust ethylene removal at 0 °C for 15 days
Authors: Lin Mingyue , Wang Haifeng , Takei Takashi , Miura Hiroki , Shishido Tetsuya , Li Yuhang , Hu Jinneng , Inomata Yusuke , Ishida Tamao , Haruta Masatake , Xiu Guangli , Murayama Toru 
Published: May 2023

AbstractEfficient ethylene (C2H4) removal below room temperatures, especially near 0  °C, is of great importance to suppress that the vegetables and fruits spoil during cold-chain transportation and storage. However, no catalysts have been developed to fulfill the longer-than-2-h C2H4 removal at this low temperature effectively. Here we prepare gold-platinum (Au-Pt) nanoalloy catalysts that show robust C2H4 (of 50 ppm) removal capacity at 0 °C for 15 days (360 h). We find, by virtue of operando Fourier transformed infrared spectroscopy and online temperature-programmed desorption equipped mass spectrometry, that the Au-Pt nanoalloys favor the formation of acetate from selective C2H4 oxidation. And this on-site-formed acetate intermediate would partially cover the catalyst surface at 0 °C, thus exposing active sites to prolong the continuous and effective C2H4 removal. We also demonstrate, by heat treatment, that the performance of the used catalysts will be fully recovered for at least two times.
Chiral superconductivity in UTe2 probed by anisotropic low-energy excitations
Authors: Ishihara Kota , Roppongi Masaki , Kobayashi Masayuki , Imamura Kumpei , Mizukami Yuta , Sakai Hironori , Opletal Petr , Tokiwa Yoshifumi , Haga Yoshinori , Hashimoto Kenichiro , Shibauchi Takasada 
Published: May 2023

AbstractChiral spin-triplet superconductivity is a topologically nontrivial pairing state with broken time-reversal symmetry, which can host Majorana quasiparticles. The heavy-fermion superconductor UTe2 exhibits peculiar properties of spin-triplet pairing, and the possible chiral state has been actively discussed. However, the symmetry and nodal structure of its order parameter in the bulk, which determine the Majorana surface states, remains controversial. Here we focus on the number and positions of superconducting gap nodes in the ground state of UTe2. Our magnetic penetration depth measurements for three field orientations in three crystals all show the power-law temperature dependence with exponents close to 2, which excludes single-component spin-triplet states. The anisotropy of low-energy quasiparticle excitations indicates multiple point nodes near the ky- and kz-axes in momentum space. These results can be consistently explained by a chiral B3u + iAu non-unitary state, providing fundamentals of the topological properties in UTe2.
Microbial synthesis of Prussian blue for potentiating checkpoint blockade immunotherapy
Authors: Wang Dongdong , Liu Jiawei , Wang Changlai , Zhang Weiyun , Yang Guangbao , Chen Yun , Zhang Xiaodong , Wu Yinglong , Gu Long , Chen Hongzhong , Yuan Wei , Chen Xiaokai , Liu Guofeng , Gao Bin , Chen Qianwang , Zhao Yanli 
Published: May 2023

AbstractCancer immunotherapy is revolutionizing oncology. The marriage of nanotechnology and immunotherapy offers a great opportunity to amplify antitumor immune response in a safe and effective manner. Here, electrochemically active Shewanella oneidensis MR-1 can be applied to produce FDA-approved Prussian blue nanoparticles on a large-scale. We present a mitochondria-targeting nanoplatform, MiBaMc, which consists of Prussian blue decorated bacteria membrane fragments having further modifications with chlorin e6 and triphenylphosphine. We find that MiBaMc specifically targets mitochondria and induces amplified photo-damages and immunogenic cell death of tumor cells under light irradiation. The released tumor antigens subsequently promote the maturation of dendritic cells in tumor-draining lymph nodes, eliciting T cell-mediated immune response. In two tumor-bearing mouse models using female mice, MiBaMc triggered phototherapy synergizes with anti-PDL1 blocking antibody for enhanced tumor inhibition. Collectively, the present study demonstrates biological precipitation synthetic strategy of targeted nanoparticles holds great potential for the preparation of microbial membrane-based nanoplatforms to boost antitumor immunity.
Towards weathering and corrosion resistant, self-warning and self-healing epoxy coatings with tannic acid loaded nanocontainers
Authors: Wang Jinke , Tan Weimin , Yang Hao , Rao Xingxing , Luo Xinliang , Ma Lingwei , Ren Chenhao , Mol Arjan , Zhang Dawei 
Published: May 2023

AbstractIn this work, an active protective epoxy coating with weathering resistant, corrosion-warning, and self-healing properties was developed by incorporating tannic acid (TA) loaded mesoporous silica (MSN-TA) nanocontainers. The introduction of MSN-TA nanocontainers could alleviate the coating degradation via scavenging the radicals generated during UV irradiation. Compared with the blank coating, the coating containing 5 wt.% MSN-TA nanocontainers exhibited much less degradation in surface morphology, wettability and glossiness, and maintained a good barrier property after 384 h of accelerated weathering. Once the coating was damaged, the released TA could react with the Fe3+ ions to form a chelate that endowed the coating scratch with a visible black coloration, i.e. triggering a self-warning capability to indicate the initial onset of corrosion. In addition, the generated chelate could inhibit extensive corrosion propagation, offering a significant self-healing effect demonstrated by the stabilized impedance modulus values during 28 days of immersion in NaCl solution.
Anticipated barriers and facilitators for implementing smart inhalers in asthma medication adherence management
Authors: van de Hei Susanne J. , Stoker Nilouq , Flokstra-de Blok Bertine M. J. , Poot Charlotte C. , Meijer Eline , Postma Maarten J. , Chavannes Niels H. , Kocks Janwillem W. H. , van Boven Job F. M. 
Published: May 2023

AbstractSmart inhalers are electronic monitoring devices which are promising in increasing medication adherence and maintaining asthma control. A multi-stakeholder capacity and needs assessment is recommended prior to implementation in healthcare systems. This study aimed to explore perceptions of stakeholders and to identify anticipated facilitators and barriers associated with the implementation of smart digital inhalers in the Dutch healthcare system. Data were collected through focus group discussions with female patients with asthma (n = 9) and healthcare professionals (n = 7) and through individual semi-structured interviews with policy makers (n = 4) and smart inhaler developers (n = 4). Data were analysed using the Framework method. Five themes were identified: (i) perceived benefits, (ii) usability, (iii) feasibility, (iv) payment and reimbursement, and (v) data safety and ownership. In total, 14 barriers and 32 facilitators were found among all stakeholders. The results of this study could contribute to the design of a tailored implementation strategy for smart inhalers in daily practice.
Absence of a BCS-BEC crossover in the cuprate superconductors
Authors: Sous John , He Yu , Kivelson Steven A. 
Published: May 2023

AbstractWe examine key aspects of the theory of the Bardeen–Cooper–Schrieffer (BCS) to Bose–Einstein condensation (BEC) crossover, focusing on the temperature dependence of the chemical potential, μ. We identify an accurate method of determining the change of μ in the cuprate high temperature superconductors from angle-resolved-photoemission data (along the ‘nodal’ direction), and show that μ varies by less than a few percent of the Fermi energy over a range of temperatures from far below to several times above the superconducting transition temperature, Tc. This shows, unambiguously, that not only are these materials always on the BCS side of the crossover (which is a phase transition in the d-wave case), but are nowhere near the point of the crossover (where the chemical potential approaches the band bottom).
Breaking interfacial charge transfer barrier by sulfite for efficient pollutants degradation: a case of BiVO4
Authors: Gao Xin , Wang Peifang , Che Huinan , Liu Wei , Ao Yanhui 
Published: May 2023

AbstractHeterogeneous photocatalytic systems generally lack thermodynamic dependence on the degradation of organic pollutants in aqueous solution. Therefore, it is important to reveal the reasons for the inhibited surface kinetics but still be neglected. Herein, we reveal the mechanism that BiVO4 can’t degrade organics although it is thermodynamically feasible. The surface solvation and formation of double layer (compact layer and diffuse layer) makes low-polarity organics far away from the surface of BiVO4. We found that the introduction of sulfite can solve this problem. Theory calculation illustrates that sulfite can enter into the compact layer because of its higher adsorption energy on BiVO4 and lower adiabatic ionization potential (AIP). Then, photogenerated holes initiate the chain transformation of sulfite and produce strong oxidizing species which can diffuse out to degrade organics. This paper provides an insight into the understand the effects of solid-liquid interface on heterogeneously photocatalytic degradation of organic pollutants.
A database of low-energy atomically precise nanoclusters
Authors: Manna Sukriti , Wang Yunzhe , Hernandez Alberto , Lile Peter , Liu Shanping , Mueller Tim 
Published: May 2023

AbstractThe chemical and structural properties of atomically precise nanoclusters are of great interest in numerous applications, but the structures of the clusters can be computationally expensive to predict. In this work, we present the largest database of cluster structures and properties determined using ab-initio methods to date. We report the methodologies used to discover low-energy clusters as well as the energies, relaxed structures, and physical properties (such as relative stability, HOMO-LUMO gap among others) for 63,015 clusters across 55 elements. We have identified clusters for 593 out of 1595 cluster systems (element-size pairs) explored by literature that have energies lower than those reported in literature by at least 1 meV/atom. We have also identified clusters for 1320 systems for which we were unable to find previous low-energy structures in the literature. Patterns in the data reveal insights into the chemical and structural relationships among the elements at the nanoscale. We describe how the database can be accessed for future studies and the development of nanocluster-based technologies.
Forearm sEMG data from young healthy humans during the execution of hand movements
Authors: Gomez-Correa Manuela , Ballesteros Mariana , Salgado Ivan , Cruz-Ortiz David 
Published: May 2023

AbstractThis work provides a complete dataset containing surface electromyography (sEMG) signals acquired from the forearm with a sampling frequency of 1000 Hz. The dataset is named WyoFlex sEMG Hand Gesture and recorded the data of 28 participants between 18 and 37 years old without neuromuscular diseases or cardiovascular problems. The test protocol consisted of sEMG signals acquisition corresponding to ten wrist and grasping movements (extension, flexion, ulnar deviation, radial deviation, hook grip, power grip, spherical grip, precision grip, lateral grip, and pinch grip), considering three repetitions for each gesture. Also, the dataset contains general information such as anthropometric measures of the upper limb, gender, age, laterally of the person, and physical condition. Likewise, the implemented acquisition system consists of a portable armband with four sEMG channels distributed equidistantly for each forearm. The database could be used for the recognition of hand gestures, evaluation of the evolution of patients in rehabilitation processes, control of upper limb orthoses or prostheses, and biomechanical analysis of the forearm.