bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of an Epidemic‐Type Aftershock‐Sequence Model Explicitly Incorporating the Seismicity‐Triggering Effects of Slow Slip Events
Authors: Nishikawa Tomoaki , Nishimura Takuya 
Published: May 2023

AbstractSlow slip events (SSEs) at subduction zone plate boundaries sometimes trigger earthquake swarms and megathrust earthquakes. The causal relationship between SSEs and seismicity has been studied worldwide, but the epidemic‐type aftershock‐sequence (ETAS) model, which is a standard statistical model of seismicity, does not explicitly consider the seismicity‐triggering effect of SSEs. Therefore, if an SSE occurs at a plate boundary, probabilistic earthquake forecasts based on the ETAS model fail to predict observed seismicity. Here, we constructed a statistical model named the SSE‐modulated ETAS model by incorporating SSE moment rates estimated from observation data from the global navigation satellite system into the original ETAS model. Our model assumes a linear or power‐law relationship between the SSE moment rates and seismicity rates and estimates its proportionality constant as a new ETAS parameter. We applied this new model to three SSEs and M 2.5 or greater earthquakes in the shallow part of the Hikurangi Trench, New Zealand. The results show that it is better than the original ETAS model, giving a significant reduction in the Akaike information criterion. In addition, we examined the functional forms (e.g., lag time and power exponent) of the equation relating the moment rate of the SSEs to the seismicity rate. We also examine the influence of SSEs on aftershock productivity. Our model can improve short‐term forecasts of seismicity associated with SSEs if the detection and characterization of SSEs can be done in near real time. Our model is also useful for quantifying characteristics of SSE‐induced seismicity.
Age-related elevation of O-GlcNAc causes meiotic arrest in male mice
Authors: Qian Zhang , Li Chuwei , Zhao Shanmeizi , Zhang Hong , Ma Rujun , Ge Xie , Jing Jun , Chen Li , Ma Jinzhao , Yang Yang , Zheng Lu , Zhang Kemei , He Zhaowanyue , Xue Mengqi , Lin Ying , Jueraitetibaike Kadiliya , Feng Yuming , Cao Chun , Tang Ting , Sun Shanshan , Teng Hui , Zhao Wei , Yao Bing 
Published: May 2023

AbstractIn recent years, the postponement of childbearing has become a critical social issue. Male fertility is negatively associated with age because of testis aging. Spermatogenesis is impaired with age, but the molecular mechanism remains unknown. The dynamic posttranslational modification O-linked N-acetylglucosamine (O-GlcNAc), which is a type of monosaccharide modification, has been shown to drive the process of aging in various systems, but it has not yet been investigated in the testis and male reproductive aging. Thus, this study aims to investigate the alteration of O-GlcNAc with aging and explore the role of O-GlcNAc in spermatogenesis. Here, we demonstrate that the decline in spermatogenesis in aged mice is associated with elevation of O-GlcNAc. O-GlcNAc is specifically localized in differentiating spermatogonia and spermatocytes, indicating its crucial role in meiotic initiation and progression. Mimicking the age-related elevation of O-GlcNAc in young mice by disabling O-GlcNAcase (OGA) using the chemical inhibitor Thiamet-G can recapitulate the impairment of spermatogenesis in aged mice. Mechanistically, the elevation of O-GlcNAc in the testis leads to meiotic pachytene arrest due to defects in synapsis and recombination. Furthermore, decreasing O-GlcNAc in aged testes using an O-GlcNAc transferase (OGT) inhibitor can partially rescue the age-related impairment of spermatogenesis. Our results highlight that O-GlcNAc, as a novel posttranslational modification, participates in meiotic progression and drives the impairment of spermatogenesis during aging.
Neuroprotection and axon regeneration by novel low-molecular-weight compounds through the modification of DOCK3 conformation
Authors: Namekata Kazuhiko , Tsuji Naoki , Guo Xiaoli , Nishijima Euido , Honda Sari , Kitamura Yuta , Yamasaki Atsushi , Kishida Masamichi , Takeyama Jun , Ishikawa Hirokazu , Shinozaki Youichi , Kimura Atsuko , Harada Chikako , Harada Takayuki 
Published: May 2023

AbstractDedicator of cytokinesis 3 (DOCK3) is an atypical member of the guanine nucleotide exchange factors (GEFs) and plays important roles in neurite outgrowth. DOCK3 forms a complex with Engulfment and cell motility protein 1 (Elmo1) and effectively activates Rac1 and actin dynamics. In this study, we screened 462,169 low-molecular-weight compounds and identified the hit compounds that stimulate the interaction between DOCK3 and Elmo1, and neurite outgrowth in vitro. Some of the derivatives from the hit compound stimulated neuroprotection and axon regeneration in a mouse model of optic nerve injury. Our findings suggest that the low-molecular-weight DOCK3 activators could be a potential therapeutic candidate for treating axonal injury and neurodegenerative diseases including glaucoma.
Novel highly stable conductive polymer composite PEDOT:DBSA for bioelectronic applications
Authors: Tumová Šárka , Malečková Romana , Kubáč Lubomír , Akrman Jiří , Enev Vojtěch , Kalina Lukáš , Vojtková Eva , Pešková Michaela , Víteček Jan , Vala Martin , Weiter Martin 
Published: May 2023

AbstractIn this work, a novel conductive polymer composite consisting of poly(3,4-ethylenedioxythiophene) doped with dodecylbenzenesulfonic acid (PEDOT:DBSA) for bioelectronic applications was prepared and optimized. The novel PEDOT:DBSA composite possesses superior biocompatibility toward cell culture and electrical characteristics comparable to the widely used PEDOT:PSS. The cross-linking processes induced by the cross-linker glycidoxypropyltrimethoxysilane (GOPS), which was investigated in detail using Fourier transform Raman spectroscopy and XPS analysis, lead to the excellent long-term stability of PEDOT:DBSA thin films in aqueous solutions, even without treatment at high temperature. The electrical characteristics of PEDOT:DBSA thin films with respect to the level of cross-linking were studied in detail. The conductivity of thin films was significantly improved using sulfuric acid posttreatment. A model transistor device based on PEDOT:DBSA shows typical transistor behavior and suitable electrical properties comparable or superior to those of available conductive polymers in bioelectronics, such as PEDOT:PSS. Based on these properties, the newly developed material is well suited for bioelectronic applications that require long-term contact with living organisms, such as wearable or implantable bioelectronics.
A novel compound heterozygous of β-thalassemia with HbG-Coushatta: case report of Iran
Authors: Soozangar Narges , Abbaspour Ehsan , Mokaber Haleh , Nematollahi Zahra , Davarnia Behzad 
Published: May 2023

AbstractA 30-year-old male couple from Ardabil city, Iran, were admitted for premarital screening. An abnormal band in HbS/D regions with high levels of HbF and HbA 2 led us to suspect the possibility of a compound heterozygous state of β-thalassemia in our affected proband. Therefore, beta globin chain sequencing of proband discovered a heterozygote combination of the Hb G-Coushatta [b22 (B4) Glu>Ala, HBB: c.68A>C) with HBB: IVS-II-1 (G>A) mutation as a compound heterozygote.
Global disruption of coral broadcast spawning associated with artificial light at night
Authors: Davies Thomas W. , Levy Oren , Tidau Svenja , de Barros Marangoni Laura Fernandes , Wiedenmann Joerg , D’Angelo Cecilia , Smyth Tim 
Published: May 2023

AbstractCoral broadcast spawning events - in which gametes are released on certain nights predictably in relation to lunar cycles - are critical to the maintenance and recovery of coral reefs following mass mortality. Artificial light at night (ALAN) from coastal and offshore developments threatens coral reef health by masking natural light:dark cycles that synchronize broadcast spawning. Using a recently published atlas of underwater light pollution, we analyze a global dataset of 2135 spawning observations from the 21st century. For the majority of genera, corals exposed to light pollution are spawning between one and three days closer to the full moon compared to those on unlit reefs. ALAN possibly advances the trigger for spawning by creating a perceived period of minimum illuminance between sunset and moonrise on nights following the full moon. Advancing the timing of mass spawning could decrease the probability of gamete fertilization and survival, with clear implications for ecological processes involved in the resilience of reef systems.
Architector for high-throughput cross-periodic table 3D complex building
Authors: Taylor Michael G. , Burrill Daniel J. , Janssen Jan , Batista Enrique R. , Perez Danny , Yang Ping 
Published: May 2023

AbstractRare-earth and actinide complexes are critical for a wealth of clean-energy applications. Three-dimensional (3D) structural generation and prediction for these organometallic systems remains a challenge, limiting opportunities for computational chemical discovery. Here, we introduce Architector, a high-throughput in-silico synthesis code for s-, p-, d-, and f-block mononuclear organometallic complexes capable of capturing nearly the full diversity of the known experimental chemical space. Beyond known chemical space, Architector performs in-silico design of new complexes including any chemically accessible metal-ligand combinations. Architector leverages metal-center symmetry, interatomic force fields, and tight binding methods to build many possible 3D conformers from minimal 2D inputs including metal oxidation and spin state. Over a set of more than 6,000 x-ray diffraction (XRD)-determined complexes spanning the periodic table, we demonstrate quantitative agreement between Architector-predicted and experimentally observed structures. Further, we demonstrate out-of-the box conformer generation and energetic rankings of non-minimum energy conformers produced from Architector, which are critical for exploring potential energy surfaces and training force fields. Overall, Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.
Emergent geometry and duality in the carbon nucleus
Authors: Shen Shihang , Elhatisari Serdar , Lähde Timo A. , Lee Dean , Lu Bing-Nan , Meißner Ulf-G. 
Published: May 2023

AbstractThe carbon atom provides the backbone for the complex organic chemistry composing the building blocks of life. The physics of the carbon nucleus in its predominant isotope, 12C, is similarly full of multifaceted complexity. Here we provide a model-independent density map of the geometry of the nuclear states of 12C using the ab initio framework of nuclear lattice effective field theory. We find that the well-known but enigmatic Hoyle state is composed of a “bent-arm” or obtuse triangular arrangement of alpha clusters. We identify all of the low-lying nuclear states of 12C as having an intrinsic shape composed of three alpha clusters forming either an equilateral triangle or an obtuse triangle. The states with the equilateral triangle formation also have a dual description in terms of particle-hole excitations in the mean-field picture.
Dynamic conformational switching underlies TFIIH function in transcription and DNA repair and impacts genetic diseases
Authors: Yu Jina , Yan Chunli , Dodd Thomas , Tsai Chi-Lin , Tainer John A. , Tsutakawa Susan E. , Ivanov Ivaylo 
Published: May 2023

AbstractTranscription factor IIH (TFIIH) is a protein assembly essential for transcription initiation and nucleotide excision repair (NER). Yet, understanding of the conformational switching underpinning these diverse TFIIH functions remains fragmentary. TFIIH mechanisms critically depend on two translocase subunits, XPB and XPD. To unravel their functions and regulation, we build cryo-EM based TFIIH models in transcription- and NER-competent states. Using simulations and graph-theoretical analysis methods, we reveal TFIIH’s global motions, define TFIIH partitioning into dynamic communities and show how TFIIH reshapes itself and self-regulates depending on functional context. Our study uncovers an internal regulatory mechanism that switches XPB and XPD activities making them mutually exclusive between NER and transcription initiation. By sequentially coordinating the XPB and XPD DNA-unwinding activities, the switch ensures precise DNA incision in NER. Mapping TFIIH disease mutations onto network models reveals clustering into distinct mechanistic classes, affecting translocase functions, protein interactions and interface dynamics.
Adaptable graphitic C6N6-based copper single-atom catalyst for intelligent biosensing
Authors: Hong Qing , Yang Hong , Fang Yanfeng , Li Wang , Zhu Caixia , Wang Zhuang , Liang Sicheng , Cao Xuwen , Zhou Zhixin , Shen Yanfei , Liu Songqin , Zhang Yuanjian 
Published: May 2023

AbstractSelf-adaptability is highly envisioned for artificial devices such as robots with chemical noses. For this goal, seeking catalysts with multiple and modulable reaction pathways is promising but generally hampered by inconsistent reaction conditions and negative internal interferences. Herein, we report an adaptable graphitic C6N6-based copper single-atom catalyst. It drives the basic oxidation of peroxidase substrates by a bound copper-oxo pathway, and undertakes a second gain reaction triggered by light via a free hydroxyl radical pathway. Such multiformity of reactive oxygen-related intermediates for the same oxidation reaction makes the reaction conditions capable to be the same. Moreover, the unique topological structure of CuSAC6N6along with the specialized donor-π-acceptor linker promotes intramolecular charge separation and migration, thus inhibiting negative interferences of the above two reaction pathways. As a result, a sound basic activity and a superb gain of up to 3.6 times under household lights are observed, superior to that of the controls, including peroxidase-like catalysts, photocatalysts, or their mixtures. CuSAC6N6is further applied to a glucose biosensor, which can intelligently switch sensitivity and linear detection range in vitro.
Equivariant quantum circuits for learning on weighted graphs
Authors: Skolik Andrea , Cattelan Michele , Yarkoni Sheir , Bäck Thomas , Dunjko Vedran 
Published: May 2023

AbstractVariational quantum algorithms are the leading candidate for advantage on near-term quantum hardware. When training a parametrized quantum circuit in this setting to solve a specific problem, the choice of ansatz is one of the most important factors that determines the trainability and performance of the algorithm. In quantum machine learning (QML), however, the literature on ansatzes that are motivated by the training data structure is scarce. In this work, we introduce an ansatz for learning tasks on weighted graphs that respects an important graph symmetry, namely equivariance under node permutations. We evaluate the performance of this ansatz on a complex learning task, namely neural combinatorial optimization, where a machine learning model is used to learn a heuristic for a combinatorial optimization problem. We analytically and numerically study the performance of our model, and our results strengthen the notion that symmetry-preserving ansatzes are a key to success in QML.
Influencing factors of medication adherence in schizophrenic patients: a meta-analysis
Authors: Guo Jing , Lv Xue , Liu Yan , Kong Lingling , Qu Haiying , Yue Weihua 
Published: May 2023

AbstractMedication adherence of schizophrenic patients is a growing public health problem. We conducted a meta-analysis on the influencing factors of medication compliance in schizophrenic patients. We searched PubMed, Embase, Cochrane Library, and Web Of Science for relevant articles published up to December 22, 2022. Combined odds ratios (ORs) and 95% confidence intervals (CIs) were used to assess influencing factors. Egger’s test, funnel plot, the trim and fill method, and meta-regression analysis were used to assess publication bias. A total of 20 articles were included in the analysis. Twenty influencing factors were divided into seven categories: drug factors (OR = 1.96, 95% CI: 1.48–2.59), problem behavior (OR = 1.77, 95% CI: 1.43–2.19), income and quality of life (OR = 1.23, 95% CI: 1.08–1.39), personal characteristics (OR = 1.21, 95% CI: 1.14–1.30), disease factors (OR = 1.14, 95% CI: 1.98–1.21), support level (OR = 0.54, 95% CI: 0.42–0.70), and positive attitude and behavior (OR = 0.52, 95% CI: 0.45–0.62). This meta-analysis found that drug factors, disease factors, problem behavior, low income and quality of life, and factors related to personal characteristics appear to be risk factors for medication adherence in people with schizophrenia. And support level, positive attitude and behavior appear to be protective factors.
Stable, flexible, common, and distinct behaviors support rule-based and information-integration category learning
Authors: Roark Casey L. , Chandrasekaran Bharath 
Published: May 2023

AbstractThe ability to organize variable sensory signals into discrete categories is a fundamental process in human cognition thought to underlie many real-world learning problems. Decades of research suggests that two learning systems may support category learning and that categories with different distributional structures (rule-based, information-integration) optimally rely on different learning systems. However, it remains unclear how the same individual learns these different categories and whether the behaviors that support learning success are common or distinct across different categories. In two experiments, we investigate learning and develop a taxonomy of learning behaviors to investigate which behaviors are stable or flexible as the same individual learns rule-based and information-integration categories and which behaviors are common or distinct to learning success for these different types of categories. We found that some learning behaviors are stable in an individual across category learning tasks (learning success, strategy consistency), while others are flexibly task-modulated (learning speed, strategy, stability). Further, success in rule-based and information-integration category learning was supported by both common (faster learning speeds, higher working memory ability) and distinct factors (learning strategies, strategy consistency). Overall, these results demonstrate that even with highly similar categories and identical training tasks, individuals dynamically adjust some behaviors to fit the task and success in learning different kinds of categories is supported by both common and distinct factors. These results illustrate a need for theoretical perspectives of category learning to include nuances of behavior at the level of an individual learner.
Elimination of chloramphenicol through electro-fenton-like reaction: Reaction mechanism and electron transfer pathway
Authors: Li Meng , Cheng Ji-Liang , Song Jiayu , Zhang Zhao-Xin , Wu Qiong , Zhao Hai-Ming , Feng Nai-Xian , Han Wei , Yeung King Lun , Zhou Shaoqi , Mo Ce-Hui 
Published: May 2023

AbstractAn electro-Fenton-like reaction process relying on peroxymonosulfate activation can stably degrade chloramphenicol (CAP) within 16 min, where the kinetic rate constant can be as high as 0.089 min−1 and the energy consumption value can be as low as 25.1 kWh•m^−3. Evidence indicated that the use of a Na2SO4 solution as the electrolyte can enhance CAP degradation due to rapid electron transfer properties. The generated electrons and active free radicals are responsible for CAP degradation, and the electrons can be transferred from the highest occupied molecular orbital of CAP to the lowest unoccupied molecular orbital of peroxymonosulfate via the PbO2 electrode. Density functional theory calculations based on Fukui index analysis elucidated the key attack sites in CAP; moreover, reaction-free energy calculations shed light on potential CAP degradation pathways. Not only does this study afford an insight into the activation of peroxymonosulfate for organic pollutant degradation but also provides an innovative technology with potential applications in wastewater purification.
A global phylogeny of butterflies reveals their evolutionary history, ancestral hosts and biogeographic origins
Authors: Kawahara Akito Y. , Storer Caroline , Carvalho Ana Paula S. , Plotkin David M. , Condamine Fabien L. , Braga Mariana P. , Ellis Emily A. , St Laurent Ryan A. , Li Xuankun , Barve Vijay , Cai Liming , Earl Chandra , Frandsen Paul B. , Owens Hannah L. , Valencia-Montoya Wendy A. , Aduse-Poku Kwaku , Toussaint Emmanuel F. A. , Dexter Kelly M. , Doleck Tenzing , Markee Amanda , Messcher Rebeccah , Nguyen Y-Lan , Badon Jade Aster T. , Benítez Hugo A. , Braby Michael F. , Buenavente Perry A. C. , Chan Wei-Ping , Collins Steve C. , Rabideau Childers Richard A. , Dankowicz Even , Eastwood Rod , Fric Zdenek F. , Gott Riley J. , Hall Jason P. W. , Hallwachs Winnie , Hardy Nate B. , Sipe Rachel L. Hawkins , Heath Alan , Hinolan Jomar D. , Homziak Nicholas T. , Hsu Yu-Feng , Inayoshi Yutaka , Itliong Micael G. A. , Janzen Daniel H. , Kitching Ian J. , Kunte Krushnamegh , Lamas Gerardo , Landis Michael J. , Larsen Elise A. , Larsen Torben B. , Leong Jing V. , Lukhtanov Vladimir , Maier Crystal A. , Martinez Jose I. , Martins Dino J. , Maruyama Kiyoshi , Maunsell Sarah C. , Mega Nicolás Oliveira , Monastyrskii Alexander , Morais Ana B. B. , Müller Chris J. , Naive Mark Arcebal K. , Nielsen Gregory , Padrón Pablo Sebastián , Peggie Djunijanti , Romanowski Helena Piccoli , Sáfián Szabolcs , Saito Motoki , Schröder Stefan , Shirey Vaughn , Soltis Doug , Soltis Pamela , Sourakov Andrei , Talavera Gerard , Vila Roger , Vlasanek Petr , Wang Houshuai , Warren Andrew D. , Willmott Keith R. , Yago Masaya , Jetz Walter , Jarzyna Marta A. , Breinholt Jesse W. , Espeland Marianne , Ries Leslie , Guralnick Robert P. , Pierce Naomi E. , Lohman David J. 
Published: May 2023

AbstractButterflies are a diverse and charismatic insect group that are thought to have evolved with plants and dispersed throughout the world in response to key geological events. However, these hypotheses have not been extensively tested because a comprehensive phylogenetic framework and datasets for butterfly larval hosts and global distributions are lacking. We sequenced 391 genes from nearly 2,300 butterfly species, sampled from 90 countries and 28 specimen collections, to reconstruct a new phylogenomic tree of butterflies representing 92% of all genera. Our phylogeny has strong support for nearly all nodes and demonstrates that at least 36 butterfly tribes require reclassification. Divergence time analyses imply an origin ~100 million years ago for butterflies and indicate that all but one family were present before the K/Pg extinction event. We aggregated larval host datasets and global distribution records and found that butterflies are likely to have first fed on Fabaceae and originated in what is now the Americas. Soon after the Cretaceous Thermal Maximum, butterflies crossed Beringia and diversified in the Palaeotropics. Our results also reveal that most butterfly species are specialists that feed on only one larval host plant family. However, generalist butterflies that consume two or more plant families usually feed on closely related plants.