bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phosphorylation of caspase-8 by RSKs via organ-constrained effects controls the sensitivity to TNF-induced death
Authors: He Peng , Ai Tingting , Qiao Muzhen , Yang Zhang-Hua , Han Jiahuai 
Published: May 2024

AbstractCaspase-8 (Casp8) serves as an initiator of apoptosis or a suppressor of necroptosis in context-dependent manner. Members of the p90 RSK family can phosphorylate caspase-8 at threonine-265 (T265), which can inactivate caspase-8 for bypassing caspase-8-mediated blockade of necroptosis and can also decrease caspase-8 level by promoting its degradation. Mutating T265 in caspase-8 to alanine (A) in mice blocked TNF-induced necroptotic cecum damage but resulted in unexpectedly massive injury in the small intestine. Here, we show RSK1, RSK2, and RSK3 redundantly function in caspase-8 phosphorylation, and the duodenum is the most severely affected part of the small intestine when T265 phosphorylation of caspase-8 was prevented. Eliminating caspase-8 phosphorylation resulted in a duodenum-specific increase in basal caspase-8 protein level, which shall be responsible for the increased sensitivity to TNF-induced damage. Apoptosis of intestinal epithelial cells (IECs) was predominant in the duodenum of TNF-treated Rsk1−/−Rsk2−/−Rsk3−/− and Casp8T265A/T265A mice, though necroptosis was also observed. The heightened duodenal injury amplified systemic inflammatory responses, as evidenced by the contribution of hematopoietic cells to the sensitization of TNF-induced animal death. Further analysis revealed that hematopoietic and non-hematopoietic cells contributed differentially to cytokine production in response to the increased cell death. Collectively, RSKs emerges as a previously overlooked regulator that, via tissue/organ-constrained inactivating caspase-8 and/or downregulating caspase-8 protein level, controls the sensitivity to TNF-induced organ injury and animal death.
Remarkable flexibility in freestanding single-crystalline antiferroelectric PbZrO3 membranes
Authors: Guo Yunting , Peng Bin , Lu Guangming , Dong Guohua , Yang Guannan , Chen Bohan , Qiu Ruibin , Liu Haixia , Zhang Butong , Yao Yufei , Zhao Yanan , Li Suzhi , Ding Xiangdong , Sun Jun , Liu Ming 
Published: May 2024

AbstractThe ultrahigh flexibility and elasticity achieved in freestanding single-crystalline ferroelectric oxide membranes have attracted much attention recently. However, for antiferroelectric oxides, the flexibility limit and fundamental mechanism in their freestanding membranes are still not explored clearly. Here, we successfully fabricate freestanding single-crystalline PbZrO3 membranes by a water-soluble sacrificial layer technique. They exhibit good antiferroelectricity and have a commensurate/incommensurate modulated microstructure. Moreover, they also have good shape recoverability when bending with a small radius of curvature (about 2.4 μm for the thickness of 120 nm), corresponding to a bending strain of 2.5%. They could tolerate a maximum bending strain as large as 3.5%, far beyond their bulk counterpart. Our atomistic simulations reveal that this remarkable flexibility originates from the antiferroelectric-ferroelectric phase transition with the aid of polarization rotation. This study not only suggests the mechanism of antiferroelectric oxides to achieve high flexibility but also paves the way for potential applications in flexible electronics.
Molecular orbital breaking in photo-mediated organosilicon Schiff base ferroelectric crystals
Authors: Gu Zhu-Xiao , Zhang Nan , Zhang Yao , Liu Bin , Jiang Huan-Huan , Xu Hua-Ming , Wang Peng , Jiang Qing , Xiong Ren-Gen , Zhang Han-Yue 
Published: May 2024

AbstractFerroelectric materials, whose electrical polarization can be switched under external stimuli, have been widely used in sensors, data storage, and energy conversion. Molecular orbital breaking can result in switchable structural and physical bistability in ferroelectric materials as traditional spatial symmetry breaking does. Differently, molecular orbital breaking interprets the phase transition mechanism from the perspective of electronics and sheds new light on manipulating the physical properties of ferroelectrics. Here, we synthesize a pair of organosilicon Schiff base ferroelectric crystals, (R)- and (S)-N-(3,5-di-tert-butylbenzylidene)-1-((triphenylsilyl)oxy)ethanamine, which show optically controlled phase transition accompanying the molecular orbital breaking. The molecular orbital breaking is manifested as the breaking and reformation of covalent bonds during the phase transition process, that is, the conversion between C = N and C–O in the enol form and C–N and C = O in the keto form. This process brings about photo-mediated bistability with multiple physical channels such as dielectric, second-harmonic generation, and ferroelectric polarization. This work further explores this newly developed mechanism of ferroelectric phase transition and highlights the significance of photo-mediated ferroelectric materials for photo-controlled smart devices and bio-sensors.
A role for subducting clays in the water transportation into the Earth’s lower mantle
Authors: Bang Yoonah , Hwang Huijeong , Liermann Hanns-Peter , Kim Duck Young , He Yu , Jeon Tae-Yeol , Shin Tae Joo , Zhang Dongzhou , Popov Dmitry , Lee Yongjae 
Published: May 2024

AbstractSubducting sedimentary layer typically contains water and hydrated clay minerals. The stability of clay minerals under such hydrous subduction environment would therefore constraint the lithology and physical properties of the subducting slab interface. Here we show that pyrophyllite (Al2Si4O10(OH)2), one of the representative clay minerals in the alumina-silica-water (Al2O3-SiO2-H2O, ASH) system, breakdowns to contain further hydrated minerals, gibbsite (Al(OH)3) and diaspore (AlO(OH)), when subducts along a water-saturated cold subduction geotherm. Such a hydration breakdown occurs at a depth of ~135 km to uptake water by ~1.8 wt%. Subsequently, dehydration breakdown occurs at ~185 km depth to release back the same amount of water, after which the net crystalline water content is preserved down to ~660 km depth, delivering a net amount of ~5.0 wt% H2O in a phase assemblage containing δ-AlOOH and phase Egg (AlSiO3(OH)). Our results thus demonstrate the importance of subducting clays to account the delivery of ~22% of water down to the lower mantle.
In-situ noncovalent interaction of ammonium ion enabled C–H bond functionalization of polyethylene glycols
Authors: Zhang Zongnan , Lv Xueli , Mu Xin , Zhao Mengyao , Wang Sichang , Ke Congyu , Ding Shujiang , Zhou Dezhong , Wang Minyan , Zeng Rong 
Published: May 2024

AbstractThe noncovalent interactions of ammonium ion with multidentate oxygen-based host has never been reported as a reacting center in catalytic reactions. In this work, we report a reactivity enhancement process enabled by non-covalent interaction of ammonium ion, achieving the C–H functionalization of polyethylene glycols with acrylates by utilizing photoinduced co-catalysis of iridium and quinuclidine. A broad scope of alkenes can be tolerated without observing significant degradation. Moreover, this cyano-free condition respectively allows the incorporation of bioactive molecules and the PEGylation of dithiothreitol-treated bovine serum albumin, showing great potentials in drug delivery and protein modification. DFT calculations disclose that the formed α-carbon radical adjacent to oxygen-atom is reduced directly by iridium before acrylate addition. And preliminary mechanistic experiments reveal that the noncovalent interaction of PEG chain with the formed quinuclidinium species plays a unique role as a catalytic site by facilitating the proton transfer and ultimately enabling the transformation efficiently.
Urea-formaldehyde resin room temperature phosphorescent material with ultra-long afterglow and adjustable phosphorescence performance
Authors: Xu Wensheng , Wang Bowei , Liu Shuai , Fang Wangwang , Jia Qinglong , Liu Jiayi , Bo Changchang , Yan Xilong , Li Yang , Chen Ligong 
Published: May 2024

AbstractOrganic room-temperature phosphorescence materials have attracted extensive attention, but their development is limited by the stability and processibility. Herein, based on the on-line derivatization strategy, we report the urea-formaldehyde room-temperature phosphorescence materials which are constructed by polycondensation of aromatic diamines with urea and formaldehyde. Excitingly, urea-formaldehyde room-temperature phosphorescence materials achieve phosphor lifetime up to 3326 ms. There may be two ways to enhance phosphorescence performance, one is that the polycondensation of aromatic diamine with urea and formaldehyde promotes spin-orbit coupling, and another is that the imidazole derivatives derived from the condensation of aromatic o-diamine with formaldehyde maintains low levels of energy level difference and spin-orbit coupling, thus achieving ultra-long afterglow. Surprisingly, urea-formaldehyde room-temperature phosphorescence materials exhibit tunable phosphorescence emission in electrostatic field. Accordingly, 1,4-phenylenediamine, urea, and formaldehyde are copolymerized and self-assembled into phosphorescence microspheres with different electrostatic potential strengths. By mixing 1 wt% 1,4-phenylenediamine polycondensation microspheres with 1,4-phenylenediamine free microspheres, phosphor lifetime of the composite could be regulated from 27 ms to 123 ms. Moreover, vulcanization process enables precise shaping of urea-formaldehyde room-temperature phosphorescence materials. This work not only demonstrates that urea-formaldehyde room-temperature phosphorescence materials are promising candidates for organic phosphors, but also exhibits the phenomenon of electrostatically regulated phosphorescence.
Hybrid architectures for terahertz molecular polaritonics
Authors: Jaber Ahmed , Reitz Michael , Singh Avinash , Maleki Ali , Xin Yongbao , Sullivan Brian T. , Dolgaleva Ksenia , Boyd Robert W. , Genes Claudiu , Ménard Jean-Michel 
Published: May 2024

AbstractAtoms and their different arrangements into molecules are nature’s building blocks. In a regime of strong coupling, matter hybridizes with light to modify physical and chemical properties, hence creating new building blocks that can be used for avant-garde technologies. However, this regime relies on the strong confinement of the optical field, which is technically challenging to achieve, especially at terahertz frequencies in the far-infrared region. Here we demonstrate several schemes of electromagnetic field confinement aimed at facilitating the collective coupling of a localized terahertz photonic mode to molecular vibrations. We observe an enhanced vacuum Rabi splitting of 200 GHz from a hybrid cavity architecture consisting of a plasmonic metasurface, coupled to glucose, and interfaced with a planar mirror. This enhanced light-matter interaction is found to emerge from the modified intracavity field of the cavity, leading to an enhanced zero-point electric field amplitude. Our study provides key insight into the design of polaritonic platforms with organic molecules to harvest the unique properties of hybrid light-matter states.
Enhancing deep learning predictive models with HAPPY (Hierarchically Abstracted rePeat unit of PolYmers) representation
Authors: Ahn Jihun , Irianti Gabriella Pasya , Choe Yeojin , Hur Su-Mi 
Published: May 2024

AbstractWe introduce HAPPY (Hierarchically Abstracted rePeat unit of PolYmers), a string representation for polymers, designed to efficiently encapsulate essential polymer structure features for property prediction. HAPPY assigns single constituent elements to groups of sub-structures and employs grammatically complete and independent connectors between chemical linkages. Using a limited number of datapoints, we trained neural networks utilizing both HAPPY and conventional SMILES encoding of repeated unit structures and compared their performance in predicting five polymer properties: dielectric constant, glass transition temperature, thermal conductivity, solubility, and density. The results showed that the HAPPY-based network could achieve higher prediction R-squared score and two-fold faster training times. We further tested the robustness and versatility of HAPPY-based network with an augmented training dataset. Additionally, we present topo-HAPPY (Topological HAPPY), an extension that incorporates topological details of the constituent connectivity, leading to improved solubility and glass transition temperature prediction R-squared score.
A unified dataset for pre-processed climate indicators weighted by gridded economic activity
Authors: Gortan Marco , Testa Lorenzo , Fagiolo Giorgio , Lamperti Francesco 
Published: May 2024

AbstractAlthough high-resolution gridded climate variables are provided by multiple sources, the need for country and region-specific climate data weighted by indicators of economic activity is becoming increasingly common in environmental and economic research. We process available information from different climate data sources to provide spatially aggregated data with global coverage for both countries (GADM0 resolution) and regions (GADM1 resolution) and for a variety of climate indicators (total precipitations, average temperatures, average SPEI). We weigh gridded climate data by population density, night-time light intensity, cropland, and concurrent population count – all proxies of economic activity – before aggregation. Climate variables are measured daily, monthly, and annually, covering (depending on the data source) a time window from 1900 (at the earliest) to 2023. We pipeline all the preprocessing procedures in a unified framework, and we validate our data through a systematic comparison with those employed in leading climate impact studies.
Finite element graft stress for anteromedial portal, transtibial, and hybrid transtibial femoral drillings under anterior translation and medial rotation: an exploratory study
Authors: Yañez Roberto , Silvestre Rony , Roby Matias , Neira Alejandro , Azar Camilo , Madera Samuel , Ortiz-Bernardin Alejandro , Carpes Felipe P. , De la Fuente Carlos 
Published: May 2024

AbstractStress concentration on the Anterior Cruciate Ligament Reconstruction (ACLr) for femoral drillings is crucial to understanding failures. Therefore, we described the graft stress for transtibial (TT), the anteromedial portal (AM), and hybrid transtibial (HTT) techniques during the anterior tibial translation and medial knee rotation in a finite element model. A healthy participant with a non-medical record of Anterior Cruciate Ligament rupture with regular sports practice underwent finite element analysis. We modeled TT, HTT, AM drillings, and the ACLr as hyperelastic isotropic material. The maximum Von Mises principal stresses and distributions were obtained from anterior tibial translation and medial rotation. During the anterior tibia translation, the HTT, TT, and AM drilling were 31.5 MPa, 34.6 Mpa, and 35.0 MPa, respectively. During the medial knee rotation, the AM, TT, and HTT drilling were 17.3 MPa, 20.3 Mpa, and 21.6 MPa, respectively. The stress was concentrated at the lateral aspect of ACLr,near the femoral tunnel for all techniques independent of the knee movement. Meanwhile, the AM tunnel concentrates the stress at the medial aspect of the ACLr body under medial rotation. The HTT better constrains the anterior tibia translation than AM and TT drillings, while AM does for medial knee rotation.
Characteristics of patients with myofascial pain syndrome of the low back
Authors: Tsai Pao-Feng , Edison Joseph L. , Wang Chih-Hsuan , Gramlich Michael W. , Manning Kailea Q. , Deshpande Gopikrishna , Bashir Adil , Sefton JoEllen 
Published: May 2024

AbstractThe objective of this study is to determine characteristics of patients with myofascial pain syndrome (MPS) of the low back and the degree to which the low back pain in the patients examined can be attributed to MPS. Twenty-five subjects with myofascial trigger point(s) [MTrP(s)] on the low back participated in this cross-sectional study. The location, number, and type of selected MTrPs were identified by palpation and verified by ultrasound. Pain pressure threshold, physical function, and other self-reported outcomes were measured. Significant differences were found in Group 1 (Active), 2 (Latent), 3 (Atypical, no twitching but with spontaneous pain), and 4 (Atypical, no twitching and no spontaneous pain) of participants in the number of MTrPs, current pain, and worst pain in the past 24 h (p = .001–.01). There were interaction effects between spontaneous pain and twitching response on reports of physical function, current pain, and worst pain (p = .002–.04). Participants in Group 3 reported lower levels of physical function, and higher levels of current pain and worst pain compared to those in Group 4. Participants in Group 1 and 2 had similar levels of physical function, current pain, and worst pain. The number of MTrPs is most closely associated with the level of pain. Spontaneous pain report seems to be a decisive factor associated with poor physical function; however, twitching response is not.
Neurodevelopmental delay in children exposed to maternal SARS-CoV-2 in-utero
Authors: Fajardo-Martinez Viviana , Ferreira Fatima , Fuller Trevon , Cambou Mary Catherine , Kerin Tara , Paiola Sophia , Mok Thalia , Rao Rashmi , Mohole Jyodi , Paravastu Ramya , Zhang Dajie , Marschik Peter , Iyer Sai , Kesavan Kalpashri , Borges Lopes Maria da Conceição , Britto José Augusto A. , Moreira Maria Elisabeth , Brasil Patricia , Nielsen-Saines Karin 
Published: May 2024

AbstractIt is unclear if SARS CoV-2 infection during pregnancy is associated with adverse neurodevelopmental repercussions to infants. We assessed pediatric neurodevelopmental outcomes in children born to mothers with laboratory-confirmed SARS CoV-2 infection during pregnancy. Neurodevelopmental outcomes of in-utero exposed children were compared to that of pre-pandemic control children in Los Angeles (LA), CA, USA and Rio de Janeiro, Brazil. Bayley Scales of Infant and Toddler Development, 3rd edition (Bayley-III), the gold standard tool for evaluating neurodevelopment until 36 months of age and Ages and Stages Questionnaires (ASQ-3), a frequently used screening instrument for evaluating neurodevelopment in this same age group were the assessment tools used. Developmental delay (DD) was defined as having a score < − 2 SD below the norm (< 70) in at least one of three Bayley-III domains, (cognitive, motor or language) or a score below the cut-off (dark zone) in at least one of five ASQ-3 domains (communication, gross motor, fine motor, problem solving, personal-social). Exposed children were born between April 2020 and December 2022 while control children were born between January 2016 to December 2019. Neurodevelopmental testing was performed in 300 children total: 172 COVID-19 exposed children between 5–30 months of age and 128 control children between 6–38 months of age. Bayley-III results demonstrated that 12 of 128 exposed children (9.4%) had DD versus 2 of 128 controls (1.6%), p = 0.0007. Eight of 44 additional exposed children had DD on ASQ-3 testing. Fully, 20 of 172 exposed children (11.6%) and 2 of 128 control children (1.6%), p = 0.0006 had DD. In Rio, 12% of exposed children versus 2.6% of controls, p = 0.02 had DD. In LA, 5.7% of exposed children versus 0 controls, p = 0.12 had DD. Severe/critical maternal COVID-19 predicted below average neurodevelopment in the exposed cohort (OR 2.6, 95% CI 1.1–6.4). Children exposed to antenatal COVID-19 have a tenfold higher frequency of DD as compared to controls and should be offered neurodevelopmental follow-up.
Multidrug-resistant Escherichia coli causing canine pyometra and urinary tract infections are genetically related but distinct from those causing prostatic abscesses
Authors: Sroithongkham Parinya , Nittayasut Naiyaphat , Yindee Jitrapa , Nimsamer Pattaraporn , Payungporn Sunchai , Pinpimai Komkiew , Ponglowhapan Suppawiwat , Chanchaithong Pattrarat 
Published: May 2024

AbstractDespite extensive characterisation of uropathogenic Escherichia coli (UPEC) causing urinary tract infections (UTIs), the genetic background of non-urinary extraintestinal pathogenic E. coli (ExPEC) in companion animals remains inadequately understood. In this study, we characterised virulence traits of 104 E. coli isolated from canine pyometra (n = 61) and prostatic abscesses (PAs) (n = 38), and bloodstream infections (BSIs) in dogs (n = 2), and cats (n = 3). A stronger association with UPEC of pyometra strains in comparison to PA strains was revealed. Notably, 44 isolates exhibited resistance to third-generation cephalosporins and/or fluoroquinolones, 15 were extended-spectrum ß-lactamase-producers. Twelve multidrug-resistant (MDR) strains, isolated from pyometra (n = 4), PAs (n = 5), and BSIs (n = 3), along with 7 previously characterised UPEC strains from dogs and cats, were sequenced. Genomic characteristics revealed that MDR E. coli associated with UTIs, pyometra, and BSIs belonged to international high-risk E. coli clones, including sequence type (ST) 38, ST131, ST617, ST648, and ST1193. However, PA strains belonged to distinct lineages, including ST12, ST44, ST457, ST744, and ST13037. The coreSNPs, cgMLST, and pan-genome illustrated intra-clonal variations within the same ST from different sources. The high-risk ST131 and ST1193 (phylogroup B2) contained high numbers of ExPEC virulence genes on pathogenicity islands, predominating in pyometra and UTI. Hybrid MDR/virulence IncF multi-replicon plasmids, containing aerobactin genes, were commonly found in non-B2 phylogroups from all sources. These findings offer genomic insights into non-urinary ExPEC, highlighting its potential for invasive infections in pets beyond UTIs, particularly with regards to high-risk global clones.
Type 1 diabetes human enteroid studies reveal major changes in the intestinal epithelial compartment
Authors: Bharadiya Vishwesh , Rong Yan , Zhang Zixin , Lin Ruxian , Guerrerio Anthony Lawrence , Tse C. Ming , Donowitz Mark , Singh Varsha 
Published: May 2024

AbstractLack of understanding of the pathophysiology of gastrointestinal (GI) complications in type 1 diabetes (T1D), including altered intestinal transcriptomes and protein expression represents a major gap in the management of these patients. Human enteroids have emerged as a physiologically relevant model of the intestinal epithelium but establishing enteroids from individuals with long-standing T1D has proven difficult. We successfully established duodenal enteroids using endoscopic biopsies from pediatric T1D patients and compared them with aged-matched enteroids from healthy subjects (HS) using bulk RNA sequencing (RNA-seq), and functional analyses of ion transport processes. RNA-seq analysis showed significant differences in genes and pathways associated with cell differentiation and proliferation, cell fate commitment, and brush border membrane. Further validation of these results showed higher expression of enteroendocrine cells, and the proliferating cell marker Ki-67, significantly lower expression of NHE3, lower epithelial barrier integrity, and higher fluid secretion in response to cAMP and elevated calcium in T1D enteroids. Enteroids established from pediatric T1D duodenum identify characteristics of an abnormal intestinal epithelium and are distinct from HS. Our data supports the use of pediatric enteroids as an ex-vivo model to advance studies of GI complications and drug discovery in T1D patients.