bluuebunny/crossref_metadata_2025 huggingface dataset:
RNA-mediated demixing transition of low-density condensates
Authors: Kim Taehyun , Yoo Jaeyoon , Do Sungho , Hwang Dong Soo , Park YongKeun , Shin Yongdae
Published: April 2023

Biomolecular condensates play a key role in organizing cellular reactions by concentrating a specific set of biomolecules. However, whether condensate formation is accompanied by an increase in the total mass concentration within condensates or by the demixing of already highly crowded intracellular components remains elusive. Here, using refractive index imaging, we quantify the mass density of several condensates, including nucleoli, heterochromatin, nuclear speckles, and stress granules. Surprisingly, the latter two condensates exhibit low densities with a total mass concentration similar to the surrounding cyto- or nucleoplasm. Low-density condensates display higher permeability to cellular protein probes. We find that RNA tunes the biomolecular density of condensates. Moreover, intracellular structures such as mitochondria heavily influence the way phase separation proceeds, impacting the localization, morphology, and growth of condensates. These findings favor a model where segregative phase separation driven by non-associative or repulsive molecular interactions together with RNA-mediated selective association of specific components can give rise to low-density condensates in the crowded cellular environment.
Laboratory earthquakes decipher control and stability of rupture speeds
Authors: Dong Peng , Xia Kaiwen , Xu Ying , Elsworth Derek , Ampuero Jean-Paul
Published: April 2023

Earthquakes are destructive natural hazards with damage capacity dictated by rupture speeds. Traditional dynamic rupture models predict that earthquake ruptures gradually accelerate to the Rayleigh wave speed with some of them further jumping to stable supershear speeds above the Eshelby speed (~$$\sqrt{2}$$2times S wave speed). However, the 2018Mw7.5 Palu earthquake, among several others, significantly challenges such a viewpoint. Here we generate spontaneous shear ruptures on laboratory faults to confirm that ruptures can indeed attain steady subRayleigh or supershear propagation speeds immediately following nucleation. A self-similar analysis of dynamic rupture confirms our observation, leading to a simple model where the rupture speed is uniquely dependent on a driving load. Our results reproduce and explain a number of enigmatic field observations on earthquake speeds, including the existence of stable subEshelby supershear ruptures, early onset of supershear ruptures, and the correlation between the rupture speed and the driving load.
Less is more: Antibiotics at the beginning of life
Authors: Stocker Martin , Klingenberg Claus , Navér Lars , Nordberg Viveka , Berardi Alberto , el Helou Salhab , Fusch Gerhard , Bliss Joseph M. , Lehnick Dirk , Dimopoulou Varvara , Guerina Nicholas , Seliga-Siwecka Joanna , Maton Pierre , Lagae Donatienne , Mari Judit , Janota Jan , Agyeman Philipp K. A. , Pfister Riccardo , Latorre Giuseppe , Maffei Gianfranco , Laforgia Nichola , Mózes Enikő , Størdal Ketil , Strunk Tobias , Giannoni Eric
Published: April 2023

Antibiotic exposure at the beginning of life can lead to increased antimicrobial resistance and perturbations of the developing microbiome. Early-life microbiome disruption increases the risks of developing chronic diseases later in life. Fear of missing evolving neonatal sepsis is the key driver for antibiotic overtreatment early in life. Bias (a systemic deviation towards overtreatment) and noise (a random scatter) affect the decision-making process. In this perspective, we advocate for a factual approach quantifying the burden of treatment in relation to the burden of disease balancing antimicrobial stewardship and effective sepsis management.
Neural mechanism of acute stress regulation by trace aminergic signalling in the lateral habenula in male mice
Authors: Yang Soo Hyun , Yang Esther , Lee Jaekwang , Kim Jin Yong , Yoo Hyeijung , Park Hyung Sun , Jung Jin Taek , Lee Dongmin , Chun Sungkun , Jo Yong Sang , Pyeon Gyeong Hee , Park Jae-Yong , Lee Hyun Woo , Kim Hyun
Published: April 2023

Stress management is necessary for vertebrate survival. Chronic stress drives depression by excitation of the lateral habenula (LHb), which silences dopaminergic neurons in the ventral tegmental area (VTA) via GABAergic neuronal projection from the rostromedial tegmental nucleus (RMTg). However, the effect of acute stress on this LHb-RMTg-VTA pathway is not clearly understood. Here, we used fluorescent in situ hybridisation and in vivo electrophysiology in mice to show that LHb aromatic l-amino acid decarboxylase-expressing neurons (D-neurons) are activated by acute stressors and suppress RMTg GABAergic neurons via trace aminergic signalling, thus activating VTA dopaminergic neurons. We show that the LHb regulates RMTg GABAergic neurons biphasically under acute stress. This study, carried out on male mice, has elucidated a molecular mechanism in the efferent LHb-RMTg-VTA pathway whereby trace aminergic signalling enables the brain to manage acute stress by preventing the hypoactivity of VTA dopaminergic neurons.
Bioinspired artificial spider silk photocatalyst for the high-efficiency capture and inactivation of bacteria aerosols
Authors: Peng Linghui , Wang Haiyu , Li Guiying , Liang Zhishu , Zhang Weiping , Zhao Weina , An Taicheng
Published: April 2023

Bioaerosol can cause the spread of disease, and therefore, capture and inactivation of bioaerosols is desirable. However, filtration systems can easily become blocked, and are often unable to inactivate the bioaerosol once it is captured. Herein, we reported a bioinspired artificial spider silk (ASS) photocatalyst, consisting of a periodic spindle structure of TiO2 on nylon fiber that can efficiently capture and concentrate airborne bacteria, followed by photocatalytic inactivation in situ, without a power-supply exhaust system. The ASS photocatalyst exhibits a higher capture capacity than the nylon fiber substrate and a photocatalytic inactivation efficiency of 99.99% obtained under 4 h irradiation. We found that the capture capacity of the ASS photocatalyst can be mainly attributed to the synergistic effects of hydrophilicity, Laplace pressure differences caused by the size of the spindle knots and surface energy gradients induced by surface roughness. The bacteria captured by the ASS photocatalyst are inactivated by photocatalysis within droplets or at the air/photocatalyst interfaces. This strategy paves the way for constructing materials for bioaerosol purification.
Participation bias in the UK Biobank distorts genetic associations and downstream analyses
Authors: Schoeler Tabea , Speed Doug , Porcu Eleonora , Pirastu Nicola , Pingault Jean-Baptiste , Kutalik Zoltán
Published: April 2023

While volunteer-based studies such as the UK Biobank have become the cornerstone of genetic epidemiology, the participating individuals are rarely representative of their target population. To evaluate the impact of selective participation, here we derived UK Biobank participation probabilities on the basis of 14 variables harmonized across the UK Biobank and a representative sample. We then conducted weighted genome-wide association analyses on 19 traits. Comparing the output from weighted genome-wide association analyses (neffective = 94,643 to 102,215) with that from standard genome-wide association analyses (n = 263,464 to 283,749), we found that increasing representativeness led to changes in SNP effect sizes and identified novel SNP associations for 12 traits. While heritability estimates were less impacted by weighting (maximum change inh2, 5%), we found substantial discrepancies for genetic correlations (maximum change inrg, 0.31) and Mendelian randomization estimates (maximum change inβSTD, 0.15) for socio-behavioural traits. We urge the field to increase representativeness in biobank samples, especially when studying genetic correlates of behaviour, lifestyles and social outcomes.
Mass measurements show slowdown of rapid proton capture process at waiting-point nucleus 64Ge
Authors: Zhou X. , Wang M. , Zhang Y. H. , Litvinov Yu. A. , Meisel Z. , Blaum K. , Zhou X. H. , Hou S. Q. , Li K. A. , Xu H. S. , Chen R. J. , Deng H. Y. , Fu C. Y. , Ge W. W. , He J. J. , Huang W. J. , Jiao H. Y. , Li H. F. , Li J. G. , Liao T. , Litvinov S. A. , Liu M. L. , Niu Y. F. , Shuai P. , Shi J. Y. , Song Y. N. , Sun M. Z. , Wang Q. , Xing Y. M. , Xu X. , Xu F. R. , Yan X. L. , Yang J. C. , Yu Y. , Yuan Q. , Yuan Y. J. , Zeng Q. , Zhang M. , Zhang S.
Published: May 2023

X-ray bursts are among the brightest stellar objects frequently observed in the sky by space-based telescopes. A type-I X-ray burst is understood as a violent thermonuclear explosion on the surface of a neutron star, accreting matter from a companion star in a binary system. The bursts are powered by a nuclear reaction sequence known as the rapid proton capture process (rp process), which involves hundreds of exotic neutron-deficient nuclides. At so-called waiting-point nuclides, the process stalls until a slower β+ decay enables a bypass. One of the handful of rp process waiting-point nuclides is 64Ge, which plays a decisive role in matter flow and therefore the produced X-ray flux. Here we report precision measurements of the masses of 63Ge, 64,65As and 66,67Se—the relevant nuclear masses around the waiting-point 64Ge—and use them as inputs for X-ray burst model calculations. We obtain the X-ray burst light curve to constrain the neutron-star compactness, and suggest that the distance to the X-ray burster GS 1826–24 needs to be increased by about 6.5% to match astronomical observations. The nucleosynthesis results affect the thermal structure of accreting neutron stars, which will subsequently modify the calculations of associated observables.
Usefulness of texture and color enhancement imaging (TXI) in early gastric cancer found after Helicobacter pylori eradication
Authors: Shijimaya Takuya , Tahara Tomomitsu , Uragami Tomio , Yano Narumi , Tokutomi Yutaro , Uwamori Atsushi , Nishimon Shuhei , Kobayashi Sanshiro , Matsumoto Yasushi , Nakamura Naohiro , Okazaki Takashi , Takahashi Yu , Tomiyama Takashi , Honzawa Yusuke , Fukata Norimasa , Fukui Toshiro , Naganuma Makoto
Published: April 2023

Early-stage gastric cancer (EGC) found after Helicobacter pylori (Hp) eradication is often difficult to diagnose using conventional white light (WL) endoscopy. We aimed to evaluate whether Texture and Color Enhancement Imaging (TXI), a new image-enhanced endoscopy enhances the EGC lesions after Hp eradication. We also compared diagnostic accuracy and lesion detection time between WL and TXI in trainee endoscopists. 58 EGC lesions after successful Hp eradication were enrolled. Using endoscopic images in WLI, TXI mode 1 (TXI1), and TXI mode 2 (TXI2), visibility of EGC was assessed by six expert endoscopists using a subjective score. Mean color differences (ΔE) of four matched adjacent and intra-tumoral points were examined. Using randomly allocated images, diagnostic accuracy and lesion detection time were evaluated in three trainee endoscopists. Visibility score was unchanged (Score 0) in 20.7% (12/58) and 45.6% (26/57), slightly improved (Score 1) in 60.3% (35/58) and 52.6% (30/57), obviously improved (Score 2) in 45.6% (26/58) and 1.8% (1/57), in TXI1 and TXI2 compared to WL, respectively. Mean ΔE ± SEM in TXI1 (22.90 ± 0.96), and TXI2 (15.32 ± 0.71) were higher than that in WL (1.88 ± 0.26, both P < 0.0001). TXI1 presented higher diagnostic accuracy compared to WL, in two of three trainees (94.8% vs. 74.1%, 100% vs. 89.7%, P = 0.003; < 0.005, respectively). Lesion detection time was shorter in TXI1 in two of three trainees (P = 0.006, 0.004, respectively) compared to WL. TXI improves visibility of EGC after Hp eradication that may contribute to correct diagnosis.
High bending strength at 1800 °C exceeding 1 GPa in TiB2-B4C composite
Authors: Kuncser A. , Vasylkiv O. , Borodianska H. , Demirskyi D. , Badica P.
Published: April 2023

High density (99.5%) ceramic composite composed of titanium boride and boron carbide (70/30 vol%) was obtained by spark plasma sintering and was tested by 3-point bending test in Ar atmosphere at 1800 °C. Bending strength was high, around 1.1 GPa. The strength–strain curve presents a peculiar shape composed of three regions where elastic and plastic deformations are active with a different weight. Based on transmission electron microscopy observations we propose a process of mechanical energy absorption driven by shear stress in the boron carbide crystals: stacking faults with (1-11) and (011) stacking planes and twins with (1-11) twinning plane rearrange into nano-twins with (10-1) twinning planes, orthogonal but equivalent to the initial ones. This rearrangement mechanism provides in the first instance a plastic signature, but further contributes strengthening.
Is implant choice associated with fixation strength for displaced radial neck fracture: a network meta-analysis of biomechanical studies
Authors: Su Yu-Cheng , Wang Ying-Yu , Fang Ching-Ju , Su Wei-Ren , Kuan Fa-Chuan , Hsu Kai-Lan , Hong Chih-Kai , Yeh Min-Long , Lin Chii-Jeng , Tu Yu-Kang , Shih Chien-An
Published: April 2023

The multitude of fixation options for radial neck fractures, such as pins, screws, biodegradable pins and screws, locking plates, and blade plates, has led to a lack of consensus on the optimal implant choice and associated biomechanical properties. This study aims to evaluate the biomechanical strength of various fixation constructs in axial, sagittal, and torsional loading directions. We included biomechanical studies comparing different interventions, such as cross/parallel screws, nonlocking plates with or without augmented screws, fixed angle devices (T or anatomic locking plates or blade plates), and cross pins. A systematic search of MEDLINE (Ovid), Embase, Scopus, and CINAHL EBSCO databases was conducted on September 26th, 2022. Data extraction was carried out by one author and verified by another. A network meta-analysis (NMA) was conducted in accordance with the Preferred Reporting Items for Systematic Reviews and Meta-analyses guidelines. Primary outcomes encompassed axial, bending, and torsional stiffness, while the secondary outcome was bending load to failure. Effect sizes were calculated for continuous outcomes, and relative treatment ranking was measured using the surface under the cumulative ranking curve (SUCRA). Our analysis encompassed eight studies, incorporating 172 specimens. The findings indicated that fixed angle constructs, specifically the anatomic locking plate, demonstrated superior axial stiffness (mean difference [MD]: 23.59 N/mm; 95% CI 8.12–39.06) in comparison to the cross screw. Additionally, the blade plate construct excelled in bending stiffness (MD: 32.37 N/mm; 95% CI − 47.37 to 112.11) relative to the cross screw construct, while the cross-screw construct proved to be the most robust in terms of bending load failure. The parallel screw construct performed optimally in torsional stiffness (MD: 139.39 Nm/degree; 95% CI 0.79–277.98) when compared to the cross screw construct. Lastly, the nonlocking plate, locking T plate, and cross-pin constructs were found to be inferior in most respects to alternative interventions. The NMA indicated that fixed angle devices (blade plate and anatomic locking plate) and screw fixations may exhibit enhanced biomechanical strength in axial and bending directions, whereas cross screws demonstrated reduced torsional stability in comparison to parallel screws. It is imperative for clinicians to consider the application of these findings in constraining forces across various directions during early range of motion exercises, taking into account the distinct biomechanical properties of the respective implants.
Modeling rod and cone photoreceptor cell survival in vivo using optical coherence tomography
Authors: Whitmore S. Scott , DeLuca Adam P. , Andorf Jeaneen L. , Cheng Justine L. , Mansoor Mahsaw , Fortenbach Christopher R. , Critser D. Brice , Russell Jonathan F. , Stone Edwin M. , Han Ian C.
Published: April 2023

Many retinal diseases involve the loss of light-sensing photoreceptor cells (rods and cones) over time. The severity and distribution of photoreceptor loss varies widely across diseases and affected individuals, so characterizing the degree and pattern of photoreceptor loss can clarify pathophysiology and prognosis. Currently, in vivo visualization of individual photoreceptors requires technology such as adaptive optics, which has numerous limitations and is not widely used. By contrast, optical coherence tomography (OCT) is nearly ubiquitous in daily clinical practice given its ease of image acquisition and detailed visualization of retinal structure. However, OCT cannot resolve individual photoreceptors, and no OCT-based method exists to distinguish between the loss of rods versus cones. Here, we present a computational model that quantitatively estimates rod versus cone photoreceptor loss from OCT. Using histologic data of human photoreceptor topography, we constructed an OCT-based reference model to simulate outer nuclear layer thinning caused by differential loss of rods and cones. The model was able to estimate rod and cone loss using in vivo OCT data from patients with Stargardt disease and healthy controls. Our model provides a powerful new tool to quantify photoreceptor loss using OCT data alone, with potentially broad applications for research and clinical care.
Prepandemic psychotropic drug status in Portugal: a nationwide pharmacoepidemiological profile﻿
Authors: Madeira Luís , Queiroz Guilherme , Henriques Rui
Published: April 2023

The prescription of psychotropic drugs has been rising in Europe over the last decade. This study provides a comprehensive profile of prepandemic consumption patterns of antidepressant, antipsychotic, and anxiolytic drugs in Portugal considering full nationwide psychotropic drug prescription and dispensing records (2016–2019) against several criteria, including active ingredient, sociodemographics, medical specialty, and incurred costs. An increase of 29.6% and 34.7% in the consumption of antipsychotics and antidepressants between 2016 and 2019 is highlighted, accompanied by an increase of 37M Eur in total expenditure (> 20M Eur in public copay) for these classes of drugs. Disparities in sociodemographic and geographical incidence are identified. Amongst other pivotal results, 64% of psychotropic drug prescriptions are undertaken by general practitioners, while only 21% undertaken by neurological and psychiatric specialties. Nationwide patterns of psychotropic drug prescription further reveal notable trends and determinants, establishing a reference point for cross-regional studies and being currently assessed at a national level to establish psychosocial initiatives and guidelines for medical practice and training.
Computer-aided detection of arrhythmogenic sites in post-ischemic ventricular tachycardia
Authors: Baldazzi Giulia , Orrù Marco , Viola Graziana , Pani Danilo
Published: April 2023

Nowadays, catheter-based ablation in patients with post-ischemic ventricular tachycardia (VT) is performed in arrhythmogenic sites identified by electrophysiologists by visual inspection during electroanatomic mapping. This work aims to present the development of machine learning tools aiming at supporting clinicians in the identification of arrhythmogenic sites by exploiting innovative features that belong to different domains. This study included 1584 bipolar electrograms from nine patients affected by post-ischemic VT. Different features were extracted in the time, time scale, frequency, and spatial domains and used to train different supervised classifiers. Classification results showed high performance, revealing robustness across the different classifiers in terms of accuracy, true positive, and false positive rates. The combination of multi-domain features with the ensemble tree is the most effective solution, exhibiting accuracies above 93% in the 10-time 10-fold cross-validation and 84% in the leave-one-subject-out validation. Results confirmed the effectiveness of the proposed features and their potential use in a computer-aided system for the detection of arrhythmogenic sites. This work demonstrates for the first time the usefulness of supervised machine learning for the detection of arrhythmogenic sites in post-ischemic VT patients, thus enabling the development of computer-aided systems to reduce operator dependence and errors, thereby possibly improving clinical outcomes.
A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme
Authors: Furuya Tetsundo , Nakane Daisuke , Kitanishi Kenichi , Katsuumi Natsuki , Tsaturyan Arshak , Shcherbakov Igor N. , Unno Masaki , Akitsu Takashiro
Published: April 2023

A novel hybrid protein composed of a superoxide dismutase-active Cu(II) complex (CuST) and lysozyme (CuST@lysozyme) was prepared. The results of the spectroscopic and electrochemical analyses confirmed that CuST binds to lysozyme. We determined the crystal structure of CuST@lysozyme at 0.92 Å resolution, which revealed that the His15 imidazole group of lysozyme binds to the Cu(II) center of CuST in the equatorial position. In addition, CuST was fixed in position by the weak axial coordination of the Thr89 hydroxyl group and the hydrogen bond between the guanidinium group of the Arg14 residue and the hydroxyl group of CuST. Furthermore, the combination of CuST with lysozyme did not decrease the superoxide dismutase activity of CuST. Based on the spectral, electrochemical, structural studies, and quantum chemical calculations, an O2– disproportionation mechanism catalyzed by CuST@lysozyme is proposed.
Low rates of bacterivory enhances phototrophy and competitive advantage for mixoplankton growing in oligotrophic waters
Authors: Mitra Aditee , Flynn Kevin J.
Published: April 2023

With climate change, oceans are becoming increasingly nutrient limited, favouring growth of prokaryotic picoplankton at the expense of the larger protist plankton whose growth support higher trophic levels. Constitutive mixoplankton (CM), microalgal plankton with innate phototrophic capability coupled with phagotrophy, graze on these picoplankton, indirectly exploiting the excellent resource acquisition abilities of the prokaryotes. However, feeding rates can be very low (e.g., a few bacteria d−1). For the first time, the significance of such low consumption rates has been quantified. We find that while prokaryote-carbon (C) supply to CM grown at non-limiting light was so low that it may appear insignificant (< 10%), contributions of nitrogen (N) and phosphorus (P) from ingestions of 1–12 prokaryotes d−1 were significant. Under limiting light, contributions of ingested C increased, also raising the contributions of N and P. The order of nutritional importance for CM growth from predation was P > N > C. Further, provision of N through internal recycling of ingested prey-N stimulates C-fixation through photosynthesis. Importantly, coupled photo-phago-mixoplanktonic activity improved CM resource affinities for both inorganic and prey-bound nutrients, enhancing the nutritional status and competitiveness of mixoplankton. With warming oceans, with increased prokaryote abundance, we expect CM to exhibit more phagotrophy.
A link prediction-based recommendation system using transactional data
Authors: Yilmaz Emir Alaattin , Balcisoy Selim , Bozkaya Burcin
Published: April 2023

Recommending relevant items to users has become an important task in many systems due to the increased amount of data produced. For this purpose, transaction datasets such as credit card transactions and e-commerce purchase histories can be used in recommendation systems to understand underlying user interests by exploiting user-item interactions, which can be a powerful signal to perform this task. This study proposes a link prediction-based recommendation system combining graph representation learning algorithms and gradient boosting classifiers for transaction datasets. The proposed system generates a network where nodes correspond to users and items, and links represent their interactions. A use case scenario is examined on a credit card transaction dataset as a merchant prediction task that predicts the merchants where users can make purchases in the next month. Performances of common network embedding extraction techniques and classifier models are evaluated via various experiments conducted and based on these evaluations, a novel system is proposed, and a matrix factorization-based alternative recommendation method is compared with the proposed model. The proposed method has shown superior performance to the alternative method in terms of receiver operating characteristic curves, area under the curve, and mean average precision metrics. The use of transactional data for a recommendation system is found to be a powerful approach to making relevant recommendations.
Root and canal morphology of third molar teeth
Authors: Al-Qudah Aladdin Ahmad , Bani Younis Hamzeh A. Barakat , Awawdeh Lama Adel , Daud Alaa
Published: April 2023

Restorative and prosthetic considerations usually necessitates endodontic treatment of third molars in order to retain them as a functional component of the dental arch. However, the anatomy of third molars has been described as unpredictable. To date, there has been little published work on root and canal morphology of third molars, with an adequate sample size. The aim of this study was to investigate root and canal morphology of third molars. Maxillary and mandibular third molars were gathered from dental surgeries within north Jordan. Following access cavity preparation, pulp tissue was removed and root canals stained. Teeth were subject to examination after rendering them clear by immersion in methyl salicylate, and the following features evaluated: (1) number of roots; (2) number and type of root canals; (3) number and position of lateral canals; and (4) presence of inter-canal communications. Out of the examined 592 maxillary third molars, 69.9% had three roots, 10.81% had one, 9.79% had two, 9.12% had four, and 0.34% had five roots. Most had three (52.36%) and four canals (28.2%) with less frequency of two (11.48%), one (5.91%) and five canals (2.03%). Of the 639 mandibular third molars, 89.76% had two roots, 7.35% had three, 2.5% had one, and 0.47% had four roots. Most had three (55.71%) and two canals (29.42%) with less frequency of four (13.61%), one (1.09%) and five canals (0.15%). The majority of maxillary third molars had 3 roots, while the majority of mandibular third molars had two. Overall, nearly half of the maxillary and mandibular third molars had three canals. New canal configurations, not previously described in the literature nor included in Vertucci’s classifications, were identified in both maxillary and mandibular third molars.
High Chern number van der Waals magnetic topological multilayers MnBi2Te4/hBN
Authors: Bosnar Mihovil , Vyazovskaya Alexandra Yu. , Petrov Evgeniy K. , Chulkov Evgueni V. , Otrokov Mikhail M.
Published: April 2023

Chern insulators are two-dimensional magnetic topological materials that conduct electricity along their edges via the one-dimensional chiral modes. The number of these modes is a topological invariant called the first Chern numberCthat defines the quantized Hall conductance asSxy = Ce2/h. IncreasingCis pivotal for the realization of low-power-consumption topological electronics, but there has been no clear-cut solution to this problem so far, with the majority of existing Chern insulators showingC = 1. Here, by using state-of-the-art theoretical methods, we propose an efficient approach for the realization of the high-Cstate in MnBi2Te4/hBN van der Waals multilayer heterostructures. We show that a stack ofnMnBi2Te4films withC = 1 intercalated by hBN monolayers gives rise to a high Chern number state withC = n, characterized bynchiral edge modes. This state can be achieved both under the external magnetic field and without it, both cases leading to the quantized Hall conductanceSxy = Ce2/h. Our results, therefore, pave the way to practical high-Cquantized Hall systems.
Automated relative binding free energy calculations from SMILES to ΔΔG
Authors: Moore J. Harry , Margreitter Christian , Janet Jon Paul , Engkvist Ola , de Groot Bert L. , Gapsys Vytautas
Published: April 2023

In drug discovery, computational methods are a key part of making informed design decisions and prioritising experiments. In particular, optimizing compound affinity is a central concern during the early stages of development. In the last 10 years, alchemical free energy (FE) calculations have transformed our ability to incorporate accurate in silico potency predictions in design decisions, and represent the ‘gold standard’ for augmenting experiment-driven drug discovery. However, relative FE calculations are complex to set up, require significant expert intervention to prepare the calculation and analyse the results or are provided only as closed-source software, not allowing for fine-grained control over the underlying settings. In this work, we introduce an end-to-end relative FE workflow based on the non-equilibrium switching approach that facilitates calculation of binding free energies starting from SMILES strings. The workflow is implemented using fully modular steps, allowing various components to be exchanged depending on licence availability. We further investigate the dependence of the calculated free energy accuracy on the initial ligand pose generated by various docking algorithms. We show that both commercial and open-source docking engines can be used to generate poses that lead to good correlation of free energies with experimental reference data.
Mass spectrometric simultaneous quantification of tau species in plasma shows differential associations with amyloid and tau pathologies
Authors: Montoliu-Gaya Laia , Benedet Andréa L. , Tissot Cécile , Vrillon Agathe , Ashton Nicholas J. , Brum Wagner S. , Lantero-Rodriguez Juan , Stevenson Jenna , Nilsson Johanna , Sauer Mathias , Rahmouni Nesrine , Brinkmalm Gunnar , Lussier Firoza Z. , Pascoal Tharick A. , Skoog Ingmar , Kern Silke , Zetterberg Henrik , Paquet Claire , Gobom Johan , Rosa-Neto Pedro , Blennow Kaj
Published: April 2023

Blood phosphorylated tau (p-tau) biomarkers, at differing sites, demonstrate high accuracy to detect Alzheimerʼs disease (AD). However, knowledge on the optimal marker for disease identification across the AD continuum and the link to pathology is limited. This is partly due to heterogeneity in analytical methods. In this study, we employed an immunoprecipitation mass spectrometry method to simultaneously quantify six phosphorylated (p-tau181, p-tau199, p-tau202, p-tau205, p-tau217 and p-tau231) and two non-phosphorylated plasma tau peptides in a total of 214 participants from the Paris Lariboisière and Translational Biomarkers of Aging and Dementia cohorts. Our results indicate that p-tau217, p-tau231 and p-tau205 are the plasma tau forms that best reflect AD-related brain changes, although with distinct emergences along the disease course and correlations with AD features—amyloid and tau. These findings support the differential association of blood p-tau variants with AD pathology, and our method offers a potential tool for disease staging in clinical trials.
An industrially applicable Escherichia coli platform for bioconversion of thebaine to oripavine and codeine to morphine
Authors: Spencer Garrick W. K. , Li Xu , Jarrold Ailsa , Gras Sally L.
Published: April 2023

A whole cell Escherichia coli biotransformation platform converting thebaine to oripavine and codeine to morphine was demonstrated with industrially applicable yields (∼1.2 × 10−2 g L−1 h−1 or ∼1.2 × 10−1 g L−1 h−1), improving >13 400-fold upon morphine production in yeast.
NAD(P)H: quinone oxidoreductase 1 activatable toll-like receptor 7/8 agonist designed for precise immunotherapy
Authors: Li Guo , Xu Yongxiao , Kong Xiaojie , Gu Liuwei , Qin Yuling , Wu Li
Published: April 2023

An NQO1-responsive agonist has been developed to evoke an anti-tumor immune response, providing a new concept for tumor-microenvironment-responsive prodrug design to achieve precise immunotherapy.
Interaction between carbon dots from folic acid and their cellular receptor: a qualitative physicochemical approach
Authors: Adhel Erika , Ha Duong Nguyêt-Thanh , Vu Thi Huyen , Taverna Dario , Ammar Souad , Serradji Nawal
Published: April 2023

Fluorescence spectroscopy and isothermal titration calorimetry, two powerful methods for detecting molecular interactions, are used, for the first time, to study the interaction between these nanoparticles and a model of their cellular receptor.
Microhydration of the adamantane cation: intracluster proton transfer to solvent in [Ad(H2O)n=1–5]+ for n ≥ 3
Authors: George Martin Andreas Robert , Dopfer Otto
Published: April 2023

Infrared spectra of microhydrated Ad+ provide the first spectroscopic molecular-level insight of the chemical reactivity and reaction mechanism for C–H bond activation of the important class of diamondoid radical cations in aqueous solution.
Aqueous-phase Fischer–Tropsch reaction for the production of oxygenates from syngas over colloidal ruthenium nanoparticles
Authors: Zhang Junli , Yu Fei , An Yunlei , Lin Tiejun , Zhong Liangshu
Published: April 2023

Na-promoted colloidal Ru NPs exhibit high efficiency for aqueous-phase FTS to produce oxygenates from syngas.
Sn-mediated topological transformation of Archimedean polyhedra of Prussian blue analogues boosts the electrocatalytic performance for alkaline hydrogen production
Authors: Hu Yuzhu , Feng Yongqiang , Feng Weihang , Chen Junsheng , Wang Hai , Luo Tianmi , Yuan Chengke , Cao Liyun , Huang Jianfeng , Lu Xing
Published: April 2023

A topological Archimedean polyhedron of CoFe PBA was synthesized via a Sn-induced crystal growth regulation strategy, which could serve as a highly-efficient HER electrocatalyst.
Synthesis and structures of homoleptic germylenes and stannylenes with sulfonimidamide ligands
Authors: Lentz Nicolas , Sodreau Alexandre , Acuña Alejandra , Mallet-Ladeira Sonia , Maerten Eddy , Sotiropoulos Jean-Marc , Rojas Guerrero René Segundo , Madec David
Published: May 2023

Homoleptic germylenes and stannylenes with symmetric and unsymmetric sulfonimidamide ligands have been prepared by protonolysis reaction of Lappert’s metallylenes, and characterized by NMR spectroscopy and X-ray diffraction analysis.
Neuroprotective effect of aloe emodin against Huntington's disease-like symptoms in R6/1 transgenic mice
Authors: Yan Nan , Wang Shuai , Gao Haotian , Chen Jiaqi , Cao Jiahui , Wei Pengsheng , Li Xue , Yu Ying , Wang Yan , Niu Yalin , Wang Yijie , Liu Shuyuan , Jin Ge
Published: April 2023

Aloe emodin attenuated motor and cognitive dysfunction in HD model mice. Aloe emodin decreased the level of the mutant huntingtin protein and inhibited CaMKII/Smad and TGF-β1/Smad signaling.
Lycopene ameliorates islet function and down-regulates the TLR4/MyD88/NF-κB pathway in diabetic mice and Min6 cells
Authors: Liu Yage , Tian Yimiao , Dai Xuan , Liu Tianyuan , Zhang Yueyi , Wang Shan , Shi Hanfen , Yin Jiyuan , Xu Tianshu , Zhu Ruyuan , Zhang Yanfei , Zhao Dandan , Gao Sihua , Wang Xiang-Dong , Wang Lili , Zhang Dongwei
Published: April 2023

In diabetic islets, the infiltration of macrophages into the intra-islets triggers islet β cells dysfunction. Lycopene may preserve M1/M2 macrophage homeostasis to improve islet function via the TLR4/MyD88/NF-κB signaling pathway.
Phenolamide extract of apricot bee pollen alleviates glucolipid metabolic disorders and modulates the gut microbiota and metabolites in high-fat diet-induced obese mice
Authors: Zhang Xingxing , Wu Xin , Xiao Gengsheng , Liu Gongliang , Dong Hao , Liu Rui , Lu Qun
Published: April 2023

Phenolamide alleviates glucolipid metabolic disorders and modulates gut microbiota and metabolites in high-fat diet-induced obese mice.
Distinct global metabolomic profiles of the model organismCaenorhabditis elegansduring interactions withStaphylococcus aureusandSalmonella entericaSerovar Typhi
Authors: Muthubharathi Balasubramanian Chellammal , Ravichandiran Velayutham , Balamurugan Krishnaswamy
Published: April 2023

Specific metabolic regulations during the interaction of candidate distinct bacterial pathogens.
U(vi) hydrazinates: structural and thermal decomposition features
Authors: Gerber Evgeny , Krot Anna , Andreadi Karina , Averin Alexey , Shiryaev Andrey , Trigub Alexander , Sobolev Nikita , Nevolin Iurii
Published: April 2023

The synthesis, characterization and thermal stability of uranium hydrazinates xUO3·yN2H4·zH2O – potential precursors for low temperature formation of actinide dioxides – is presented.
In vivoapplications of micro/nanorobots
Authors: Oral Cagatay M. , Pumera Martin
Published: April 2023

This review discusses the current status of micro/nanorobotic applications by focusing on preclinical studies conducted with animal models.
Pyrochlore-type cobalt and manganese antimonate electrocatalysts with excellent activity and stability for OER in acidic solution
Authors: Wang Yingchao , Zhao Huining , Guo YuMin , Wu Jingjing , Lu Xianglong , Tang Xin
Published: April 2023

A proton exchange membrane (PEM) can provide high proton conductivity, resulting in low Ohmic loss and high current density Therefore, it is crucial to develop OER materials that can improve the water splitting efficiency in harsh acidic environments.
Biocompatible shape-memory poly(propylene carbonate)/silk fibroin blend with body temperature responsiveness
Authors: Cao Meiyu , Zeng Bingbing , Zheng Yu , Guo Shaoyun
Published: April 2023

Facile preparation of biocompatible shape-memory polymeric material with body temperature responsiveness via incorporating silk fibroin into poly(propylene carbonate).
Deforming active droplets in viscoelastic solutions
Authors: Dwivedi Prateek , Shrivastava Atishay , Pillai Dipin , Tiwari Naveen , Mangal Rahul
Published: May 2023

In a viscoelastic environment, characterized by Deborah number (De), active droplets get deformed and perform zig-zag motion. This unique motion is inextricably linked to the swimming mode employed by them.
Resetting-mediated navigation of an active Brownian searcher in a homogeneous topography
Authors: Sar Gourab Kumar , Ray Arnob , Ghosh Dibakar , Hens Chittaranjan , Pal Arnab
Published: April 2023

Herein, we focus on active Brownian walkers in noisy and confined environments, which are mediated by stochastic resetting.
Localization of Zn2+ ions affects the structural folding and mechanics of Nereis virens Nvjp-1
Authors: Khare Eesha , Luo Jaden , Buehler Markus J.
Published: May 2023

Metal-coordination bond localization in proteins with high amounts of metal-coordination affects structural folding and tensile strength.
Block copolymer micelles as efficient colloidal photosensitizers in the light-driven hydrogen evolution reaction
Authors: Eichhorn Jonas , Hofmann Patricia , Bagemihl Benedikt , Streb Carsten , Rau Sven , Schacher Felix H.
Published: April 2023

We herein demonstrate the use of block copolymer micelles as highly efficient colloidal photosensitizers in light-driven HER.
Innate and engineered attributes of bacterial microcompartments for applications in bio-materials science
Authors: Rose S. M. , Radhakrishnan Aarcha , Sinha Sharmistha
Published: April 2023

All protein prokaryotic organelle in bio-material science applications.
Morphology controlled synthesis of one-dimensional BTR micro-ribbons and two-dimensional single-crystal films for field-effect transistors
Authors: Zhao Di , Cui Qiuhong , Zhang Xingyu , Ji Hongyu , Hu Yuanyuan , Qin Liang , Hou Yanbing , Hu Yufeng , Lou Zhidong , Teng Feng
Published: April 2023

Morphology-controlled synthesis of BTR one-dimensional (1D) micro-ribbons and two-dimensional (2D) single-crystal films was demonstrated. And the electrical properties of the single crystals were explored in field-effect transistors.
Investigating the urinary concentrations and distribution of phthalate metabolites in cow urine distillate in India
Authors: Jorvekar Sachin B. , Singh Jaya Ajay , Sharma Manthan , Narkhede Gayatri , Moriya Rahul , Pimpare Dhanashri , Borkar Roshan M.
Published: April 2023

The exposure of cows to a variety of endocrine-disrupting chemicals has been linked to the development of diseases and poses a significant concern.
Quantifying the capacity credit of IDC‐based demand response in smart distribution systems
Authors: Zeng Bo , Zhang Changhao , Hu Pinduan , Yang Fulin , Li Weikang , Mu Hongwei
Published: May 2023

With the explosive growth of online services, the Internet Data Center (IDC) has become an emerging load demand . The power consumption of IDCs are believed suitable for demand response (DR) purposes due to its temporal‐spatial flexibility properties. To what extent IDCs could be used as candidate DR resources to provide capacity support are dependent both on the technical property and the willingness of data end‐users . To address the above issue, this paper presents a methodological framework for quantifying the potential value of IDC‐based DR in distribution grids. To achieve this, the concept of capacity credit (CC) is introduced and extended into the IDC scenario. The proposed framework explicitly considered the impacts of uncertainty of user participation intention and the reliability of basic information in the DR process. A novel Z‐number based price elasticity uncertainty model is introduced, and a more realistic evaluation of IDC capacity credit is obtained. Finally, the effectiveness of the proposed model and method is illustrated on a modified IEEE‐33 node network, and the obtained results verify the significance of IDC‐based DR in enhancing the adequacy of supply in distribution grids.
Dynamic interactive characteristics between icicle growth and corona discharge on HVDC outdoor insulators during icing accretion
Authors: Liu Yong , Li Chao , Yin Fanghui , Du Boxue , Farzaneh Masoud
Published: April 2023

In order to improve the stability and reliability of high voltage direct current (HVDC) transmission lines in cold regions, this article investigated the corona discharges and the icicle growth characteristics on outdoor insulators under DC voltages. The experiments were conducted at CIGELE laboratory at University of Quebec. The simulation model of corona discharges and the theoretical model of icicle growth were established. The dynamic process and interactive characteristics between the icicle growth and corona discharges under different HVDC voltages were obtained. The results showed that the discharge activity was strong and the cooling effect of ionic air was weak under negative DC voltage, resulting in a large number of bubbles inside the icicle. More negative ions were produced under negative DC voltage, which enhanced the polarisation of water droplets, leading to a greater density of ice beads outside the icicles. In addition, the longest icicles of each insulator under high humidity could bridge the shed gap. The accumulated charge and leakage current were higher under negative DC voltage, as well as the corona discharge at the top of the icicles lasted longer. Therefore, the negative DC corona discharge more significantly inhibited the growth of the icicle, resulting in a slower growth rate of the icicles.
Robust joint transmit and receive beamforming by sequential optimization for bistatic radar system
Authors: Li Haoran , Geng Jun , Xie Junhao
Published: April 2023

The conventional joint transmit and receive beamforming algorithms maximise the output signal‐to‐interference‐plus‐noise ratio (SINR) by designing the weight coefficients simultaneously at the transmitter and receiver. However, their performance degrades significantly when the model mismatch exists. In this paper, the robust version of the joint transmit and receive beamforming method is considered in the context of the bistatic radar system. In particular, both the transmit array and the receive array suffer model mismatch. The designed beamformer aims to maximise its output SINR subjected to a robustness constraint by simultaneously designing the transmit beamforming vector and the receive beamforming vector. Two types of robustness constraints, namely the worst‐case constraint and the probability constraint, are considered in this paper. The proposed formulations are non‐convex, and the sub‐optimal solutions are obtained by a sequential optimization approach. In addition, a novel method to estimate the interference‐plus‐noise covariance matrices at the transmitter and receiver is proposed, which makes the proposed robust joint beamforming algorithms adapt to the variation of the surrounding environment. Numerical simulations verify the effectiveness of the proposed algorithms.
The interplay between pebble and planetesimal accretion in population synthesis models and its role in giant planet formation
Authors: Kessler A. , Alibert Y.
Published: April 2023

Context. In the core accretion scenario of planet formation, rocky cores grow by first accreting solids until they are massive enough to accrete gas. For giant planet formation, this means that a massive core must form within the lifetime of the gas disk. Inspired by observations of Solar System features such as the asteroid and Kuiper belts, the accretion of roughly kilometre-sized planetesimals is traditionally considered as the main accretion mechanism of solids but such models often result in longer planet formation timescales. The accretion of millimetre- to centimetre-sized pebbles, on the other hand, allows for rapid core growth within the disk lifetime. The two accretion mechanisms are typically discussed separately.

Aims. We investigate the interplay between the two accretion processes in a disk containing both pebbles and planetesimals for planet formation in general and in the context of giant planet formation specifically. The goal is to disentangle and understand the fundamental interactions that arise in such hybrid pebble-planetesimal models laying the groundwork for informed analysis of future, more complex, simulations.

Methods. We combined a simple model of pebble formation and accretion with a global model of planet formation which considers the accretion of planetesimals. We compared synthetic populations of planets formed in disks composed of different amounts of pebbles and 600 metre-sized planetesimals to identify the impact of the combined accretion scenario. On a system level, we studied the formation pathway of giant planets in these disks.

Results. We find that, in hybrid disks containing both pebbles and planetesimals, the formation of giant planets is strongly suppressed, whereas, in a pebbles-only or planetesimals-only scenario, giant planets can form. We identify the heating associated with the accretion of up to 100 kilometre-sized planetesimals after the pebble accretion period to delay the runaway gas accretion of massive cores. Coupled with strong inward type-I migration acting on these planets, this results in close-in icy sub-Neptunes originating from the outer disk.

Conclusions. We conclude that, in hybrid pebble-planetesimal scenarios, the late accretion of planetesimals is a critical factor in the giant planet formation process and that inward migration is more efficient for planets in increasingly pebble-dominated disks. We expect a reduced occurrence rate of giant planets in planet formation models that take the accretion of pebbles and planetesimals into account.