bluuebunny/crossref_metadata_2025_split huggingface dataset:
Determining the charge distribution and the direction of bond cleavage with femtosecond anisotropic x-ray liquidography
Authors: Heo Jun , Kim Jong Goo , Choi Eun Hyuk , Ki Hosung , Ahn Doo-Sik , Kim Jungmin , Lee Seonggon , Ihee Hyotcherl 
Published: January 2022

AbstractEnergy, structure, and charge are fundamental quantities characterizing a molecule. Whereas the energy flow and structure change in chemical reactions are experimentally characterized, determining the atomic charges of a molecule in solution has been elusive, even for a triatomic molecule such as triiodide ion, I3−. Moreover, it remains to be answered how the charge distribution is coupled to the molecular geometry; which I-I bond, if two I-I bonds are unequal, dissociates depending on the electronic state. Here, femtosecond anisotropic x-ray solution scattering allows us to provide the following answers in addition to the overall rich structural dynamics. The analysis unravels that the negative charge of I3− is highly localized on the terminal iodine atom forming the longer bond with the central iodine atom, and the shorter I-I bond dissociates in the excited state, whereas the longer one in the ground state. We anticipate that this work may open a new avenue for studying the atomic charge distribution of molecules in solution and taking advantage of orientational information in anisotropic scattering data for solution-phase structural dynamics.
Neutrophil extracellular traps and their histones promote Th17 cell differentiation directly via TLR2
Authors: Wilson Alicia S. , Randall Katrina L. , Pettitt Jessica A. , Ellyard Julia I. , Blumenthal Antje , Enders Anselm , Quah Benjamin J. , Bopp Tobias , Parish Christopher R. , Brüstle Anne 
Published: January 2022

AbstractNeutrophils perform critical functions in the innate response to infection, including through the production of neutrophil extracellular traps (NETs) - web-like DNA structures which are extruded from neutrophils upon activation. Elevated levels of NETs have been linked to autoimmunity but this association is poorly understood. By contrast, IL-17 producing Th17 cells are a key player in various autoimmune diseases but are also crucial for immunity against fungal and bacterial infections. Here we show that NETs, through their protein component histones, directly activate T cells and specifically enhance Th17 cell differentiation. This modulatory role of neutrophils, NETs and their histones is mediated downstream of TLR2 in T cells, resulting in phosphorylation of STAT3. The innate stimulation of a specific adaptive immune cell subset provides an additional mechanism demonstrating a direct link between neutrophils, NETs and T cell autoimmunity.
Topological dislocation modes in three-dimensional acoustic topological insulators
Authors: Ye Liping , Qiu Chunyin , Xiao Meng , Li Tianzi , Du Juan , Ke Manzhu , Liu Zhengyou 
Published: January 2022

AbstractDislocations are ubiquitous in three-dimensional solid-state materials. The interplay of such real space topology with the emergent band topology defined in reciprocal space gives rise to gapless helical modes bound to the line defects. This is known as bulk-dislocation correspondence, in contrast to the conventional bulk-boundary correspondence featuring topological states at boundaries. However, to date rare compelling experimental evidences have been presented for this intriguing topological observable in solid-state systems, owing to the huge challenges in creating controllable dislocations and conclusively identifying topological signals. Here, using a three-dimensional acoustic weak topological insulator with precisely controllable dislocations, we report an unambiguous experimental evidence for the long-desired bulk-dislocation correspondence, through directly measuring the gapless dispersion of the one-dimensional topological dislocation modes. Remarkably, as revealed in our further experiments, the pseudospin-locked dislocation modes can be unidirectionally guided in an arbitrarily-shaped dislocation path. The peculiar topological dislocation transport, expected in a variety of classical wave systems, can provide unprecedented control over wave propagations.
Boundary curvature guided programmable shape-morphing kirigami sheets
Authors: Hong Yaoye , Chi Yinding , Wu Shuang , Li Yanbin , Zhu Yong , Yin Jie 
Published: January 2022

AbstractKirigami, a traditional paper cutting art, offers a promising strategy for 2D-to-3D shape morphing through cut-guided deformation. Existing kirigami designs for target 3D curved shapes rely on intricate cut patterns in thin sheets, making the inverse design challenging. Motivated by the Gauss-Bonnet theorem that correlates the geodesic curvature along the boundary with the Gaussian curvature, here, we exploit programming the curvature of cut boundaries rather than the complex cut patterns in kirigami sheets for target 3D curved morphologies through both forward and inverse designs. The strategy largely simplifies the inverse design. Leveraging this strategy, we demonstrate its potential applications as a universal and nondestructive gripper for delicate objects, including live fish, raw egg yolk, and a human hair, as well as dynamically conformable heaters for human knees. This study opens a new avenue to encode boundary curvatures for shape-programing materials with potential applications in soft robotics and wearable devices.
Citrus Huanglongbing is a pathogen-triggered immune disease that can be mitigated with antioxidants and gibberellin
Authors: Ma Wenxiu , Pang Zhiqian , Huang Xiaoen , Xu Jin , Pandey Sheo Shankar , Li Jinyun , Achor Diann S. , Vasconcelos Fernanda N. C. , Hendrich Connor , Huang Yixiao , Wang Wenting , Lee Donghwan , Stanton Daniel , Wang Nian 
Published: January 2022

AbstractHuanglongbing (HLB) is a devastating disease of citrus, caused by the phloem-colonizing bacteriumCandidatusLiberibacter asiaticus (CLas). Here, we present evidence that HLB is an immune-mediated disease. We show that CLas infection ofCitrus sinensisstimulates systemic and chronic immune responses in phloem tissue, including callose deposition, production of reactive oxygen species (ROS) such as H2O2, and induction of immunity-related genes. The infection also upregulates genes encoding ROS-producing NADPH oxidases, and downregulates antioxidant enzyme genes, supporting that CLas causes oxidative stress. CLas-triggered ROS production localizes in phloem-enriched bark tissue and is followed by systemic cell death of companion and sieve element cells. Inhibition of ROS levels in CLas-positive stems by NADPH oxidase inhibitor diphenyleneiodonium (DPI) indicates that NADPH oxidases contribute to CLas-triggered ROS production. To investigate potential treatments, we show that addition of the growth hormone gibberellin (known to have immunoregulatory activities) upregulates genes encoding H2O2-scavenging enzymes and downregulates NADPH oxidases. Furthermore, foliar spray of HLB-affected citrus with gibberellin or antioxidants (uric acid, rutin) reduces H2O2concentrations and cell death in phloem tissues and reduces HLB symptoms. Thus, our results indicate that HLB is an immune-mediated disease that can be mitigated with antioxidants and gibberellin.
Reviewing machine learning of corrosion prediction in a data-oriented perspective
Authors: Coelho Leonardo Bertolucci , Zhang Dawei , Van Ingelgem Yves , Steckelmacher Denis , Nowé Ann , Terryn Herman 
Published: January 2022

AbstractThis work provides a data-oriented overview of the rapidly growing research field covering machine learning (ML) applied to predicting electrochemical corrosion. Our main aim was to determine which ML models have been applied and how well they performed depending on the corrosion topic considered. From an extensive review of corrosion articles presenting comparable performance metrics, a ‘Machine learning for corrosion database’ was created, guiding corrosion experts and model developers in their applications of ML to corrosion. Potential research gaps and recommendations are discussed, and a broad perspective for future research paths is provided.
Emergent interface vibrational structure of oxide superlattices
Authors: Hoglund Eric R. , Bao De-Liang , O’Hara Andrew , Makarem Sara , Piontkowski Zachary T. , Matson Joseph R. , Yadav Ajay K. , Haislmaier Ryan C. , Engel-Herbert Roman , Ihlefeld Jon F. , Ravichandran Jayakanth , Ramesh Ramamoorthy , Caldwell Joshua D. , Beechem Thomas E. , Tomko John A. , Hachtel Jordan A. , Pantelides Sokrates T. , Hopkins Patrick E. , Howe James M. 
Published: January 2022

AbstractAs the length scales of materials decrease, the heterogeneities associated with interfaces become almost as important as the surrounding materials. This has led to extensive studies of emergent electronic and magnetic interface properties in superlattices1–9. However, the interfacial vibrations that affect the phonon-mediated properties, such as thermal conductivity10,11, are measured using macroscopic techniques that lack spatial resolution. Although it is accepted that intrinsic phonons change near boundaries12,13, the physical mechanisms and length scales through which interfacial effects influence materials remain unclear. Here we demonstrate the localized vibrational response of interfaces in strontium titanate–calcium titanate superlattices by combining advanced scanning transmission electron microscopy imaging and spectroscopy, density functional theory calculations and ultrafast optical spectroscopy. Structurally diffuse interfaces that bridge the bounding materials are observed and this local structure creates phonon modes that determine the global response of the superlattice once the spacing of the interfaces approaches the phonon spatial extent. Our results provide direct visualization of the progression of the local atomic structure and interface vibrations as they come to determine the vibrational response of an entire superlattice. Direct observation of such local atomic and vibrational phenomena demonstrates that their spatial extent needs to be quantified to understand macroscopic behaviour. Tailoring interfaces, and knowing their local vibrational response, provides a means of pursuing designer solids with emergent infrared and thermal responses.
Evaluation of a low-resource screening strategy for ophthalmic pathologies and associated neurological morbidity in an older Tanzanian HIV-positive population
Authors: George Grace , Murphy Declan C. , Hogg H. D. Jeffry , Boniface Japhet Bright , Urasa Sarah , Rwiza Justus , Uwemeye Livin , Bristow Clare , Hillsmith Grace , Rainey Emma , Walker Richard , Gray William K. , Maria-Paddick Stella 
Published: January 2022

AbstractGlobally, 43 million people are living with HIV, 90% in developing countries. Increasing life expectancy with combination antiretroviral therapy (cART) results in chronic complications, including HIV-associated neurocognitive disorders (HAND) and eye diseases. HAND screening is currently challenging. Our aim was to evaluate clinical utility of retinopathy as a screening measure of HAND in older cART-treated individuals in Tanzania and feasibility of smartphone-based retinal screening in this low-resource setting. A cross-sectional systematic sample aged ≥ 50-years attending routine HIV follow-up in Tanzania were comprehensively assessed for HAND by American Academy of Neurology criteria and received ophthalmic assessment including smartphone-based retinal imaging. HAND and ophthalmic assessments were independent and blinded. Diagnostic accuracy was evaluated by AUROC curves. Of 129 individuals assessed, 69.8% were visually impaired. Thirteen had retinopathy. HAND prevalence was 66.7%. Retinopathy was significantly associated with HAND but HIV-disease factors (CD4, viral load) were not. Diagnostic accuracy of retinopathy for HAND was poor (AUROC 0.545-0.617) but specificity and positive predictive value were high. We conclude that ocular pathology and HAND appear highly prevalent in this low-resource setting. Although retinal screening cannot be used alone identify HAND, prioritization of individuals with abnormal retinal screening is a potential strategy in low-resource settings.
Hepatitis C prevalence and quality of health services among HIV-positive mothers in the Democratic Republic of the Congo
Authors: Thompson Peyton , Mpody Christian , Sayre Wesley , Rigney Clare , Tabala Martine , Ravelomanana Noro Lantoniaina Rosa , Malongo Fathy , Kawende Bienvenu , Behets Frieda , Okitolonda Emile , Yotebieng Marcel ,   CQI-PMTCT study team, Aitikalema Godelive , Alisho Ali , Bayayana Elysée , Bumwana Fabrice , Dianzenza Pierre , Dinanga Jean Claude , Kihuma Georges , Lukumu Willy , Lumande Fidèle , Masevo Zouzou , Matadi Fanny , Mushiya Rachel , Mwela Marie Therèse , Nlandu José , Tenatena Pearl , Tshibuabua Marie 
Published: January 2022

AbstractHepatitis C virus (HCV) contributes to liver-related morbidity and mortality throughout Africa despite effective antivirals. HCV is endemic in the Democratic Republic of the Congo (DRC) but data on HCV/HIV co-infection in pregnancy is limited. We estimated the prevalence of and risk factors for HCV/HIV co-infection among pregnant women in the Kinshasa province of the DRC. This cross-sectional study was conducted as a sub-study of an ongoing randomized trial to assess continuous quality improvement interventions (CQI) for prevention of mother-to-child transmission (PMTCT) of HIV (CQI-PMTCT study, NCT03048669). HIV-infected women in the CQI-PMTCT cohort were tested for HCV, and risk factors were evaluated using logistic regression. The prevalence of HCV/HIV co-infection among Congolese women was 0.83% (95% CI 0.43-1.23). Women who tested positive for HCV were younger, more likely to live in urban areas, and more likely to test positive during pregnancy versus postpartum. HCV-positive women had significantly higher odds of infection with hepatitis B virus (HBV) (aOR 13.87 [3.29,58.6]). An inverse relationship was noted between HCV infection and the overall capacity of the health facility as measured by the service readiness index (SRI) (aOR:0.92 [0.86,0.98] per unit increase). Women who presented to rural, for-profit and PEPFAR-funded health facilities were more likely to test positive for HCV. In summary, this study identified that the prevalence of HCV/HIV co-infection was < 1% among Congolese women. We also identified HBV infection as a major risk factor for HCV/HIV co-infection. Individuals with triple infection should be linked to care and the facility-related differences in HCV prevalence should be addressed in future studies.
Circulating Interleukin-6 and CD16 positive monocytes increase following angioplasty of an arteriovenous fistula
Authors: Hakki Seran , Robinson Emily J. , Robson Michael G. 
Published: January 2022

AbstractArteriovenous fistulas are the ideal form of vascular access that allows provision of haemodialysis. Stenotic lesions caused by neointimal hyperplasia commonly occur resulting in patients requiring a fistuloplasty. This is effective but there is a high recurrence rate. We sought to investigate the effects of a fistuloplasty on monocyte populations. Blood samples were taken from patients before and after their fistuloplasty procedure. Samples were analysed using flow cytometry, ELISA and Luminex assays. Univariate cox regression was carried out to investigate associations with post fistuloplasty patency. At 1–2 days post fistuloplasty, the proportion of classical (CD14++CD16−) monocytes decreased (p < 0.001), whilst intermediate (CD14++CD16+) and non-classical (CD14+CD16+) monocytes increased (both p < 0.01) in a cohort of 20 patients. A time course study carried out in 5 patients showed that this was due to an increase in absolute numbers of non-classical and intermediate monocytes. Higher levels of non-classical monocytes pre-fistuloplasty were associated with an increased risk for patency loss (p < 0.05). We measured 41 soluble factors in plasma samples taken before a fistuloplasty in 54 patients, with paired post-fistuloplasty samples (1–2 days) available in 30 patients. After correcting for false discovery, the only factor with a significant change in level was IL-6 (P = 0.0003, q = 0.0124). In a further time-course study in 6 patients, peak level of IL-6 occurred 2–3 h post fistuloplasty. This study demonstrates that there is a systemic inflammatory response to the fistuloplasty procedure and that monocyte subsets and IL-6 may be important in the pathophysiology of restenosis.
Identification of let-7f and miR-338 as plasma-based biomarkers for sporadic amyotrophic lateral sclerosis using meta-analysis and empirical validation
Authors: Daneshafrooz Narges , Joghataei Mohammad Taghi , Mehdizadeh Mehdi , Alavi Afagh , Barati Mahmood , Panahi Bahman , Teimourian Shahram , Zamani Babak 
Published: January 2022

AbstractAmyotrophic lateral sclerosis (ALS) is a lethal neurodegenerative disease that in most cases occurs sporadic (sALS). The disease is not curable, and its pathogenesis mechanisms are not well understood yet. Given the intricacy of underlying molecular interactions and heterogeneity of ALS, the discovery of molecules contributing to disease onset and progression will open a new avenue for advancement in early diagnosis and therapeutic intervention. Here we conducted a meta-analysis of 12 circulating miRNA profiling studies using the robust rank aggregation (RRA) method, followed by enrichment analysis and experimental verification. We identified miR-451a and let-7f-5p as meta-signature miRNAs whose targets are involved in critical pathogenic pathways underlying ALS, including ‘FoxO signaling pathway’, ‘MAPK signaling pathway’, and ‘apoptosis’. A systematic review of 7 circulating gene profiling studies elucidated that 241 genes up-regulated in sALS circulation with concomitant being targets of the meta-signature miRNAs. Protein–protein interaction (PPI) network analysis of the candidate targets using MCODE algorithm revealed the main subcluster is involved in multiple cascades eventually leads apoptosis, including ‘positive regulation of neuron apoptosis. Besides, we validated the meta-analysis results using RT-qPCR. Indeed, relative expression analysis verified let-7f-5p and miR-338-3p as significantly down-regulated and up-regulated biomarkers in the plasma of sALS patients, respectively. Receiver operating characteristic (ROC) analysis also highlighted the let-7f-5p and miR-338-3p potential as robustness plasma biomarkers for diagnosis and potential therapeutic targets of sALS disease.
Short echo time dual-frequency MR Elastography with Optimal Control RF pulses
Authors: Sango-Solanas Pilar , Tse Ve Koon Kevin , Van Reeth Eric , Ratiney Helene , Millioz Fabien , Caussy Cyrielle , Beuf Olivier 
Published: January 2022

AbstractMagnetic Resonance Elastography (MRE) quantifies the mechanical properties of tissues, typically applying motion encoding gradients (MEG). Multifrequency results allow better characterizations of tissues using data usually acquired through sequential monofrequency experiments. High frequencies are difficult to reach due to slew rate limitations and low frequencies induce long TEs, yielding magnitude images with low SNR. We propose a novel strategy to perform simultaneous multifrequency MRE in the absence of MEGs: using RF pulses designed via the Optimal Control (OC) theory. Such pulses control the spatial distribution of the MRI magnetization phase so that the resulting transverse magnetization reproduces the phase pattern of an MRE acquisition. The pulse is applied with a constant gradient during the multifrequency mechanical excitation to simultaneously achieve slice selection and motion encoding. The phase offset sampling strategy can be adapted according to the excitation frequencies to reduce the acquisition time. Phantom experiments were run to compare the classical monofrequency MRE to the OC based dual-frequency MRE method and showed excellent agreement between the reconstructed shear storage modulus G′. Our method could be applied to simultaneously acquire low and high frequency components, which are difficult to encode with the classical MEG MRE strategy.
Calculating dissolved marine oxygen values based on an enhanced Benthic Foraminifera Oxygen Index
Authors: Kranner M. , Harzhauser M. , Beer C. , Auer G. , Piller W. E. 
Published: January 2022

AbstractMarine oxygen minimum zones (OMZs) trap greenhouse gases, reduce livable habitats, a critical factor for these changes is the amount of dissolved oxygen (DO). The frequently used tool to reconstruct DO values, the Benthic Foraminifera Oxygen Index (BFOI), showed major shortcomings and lacks effectiveness. Therefore, we enhanced the BFOI and introduce enhanced BFOI (EBFOI) formulas by using all available data benthic foraminifers provide, calculating the whole livable habitat of benthic foraminifers, including bottom water oxygenation (BWO) and pore water oxygenation (PWO). Further, we introduce for the first time a transfer function to convert EBFOI vales directly into DO values, increasing efficiency by up to 38%. All formulas are calibrated on modern samples and applied to fossil datasets. Our new approach provides a major improvement in defining and reconstructing marine oxygen levels and eutrophication, by, providing a new toolset for understanding past changes and tracking actual and predicted future expanding OMZs.
VDR regulates simulated microgravity-induced atrophy in C2C12 myotubes
Authors: Yuzawa Ryo , Koike Hiroyuki , Manabe Ichiro , Oishi Yumiko 
Published: January 2022

AbstractMuscle wasting is a major problem leading to reduced quality of life and higher risks of mortality and various diseases. Muscle atrophy is caused by multiple conditions in which protein degradation exceeds its synthesis, including disuse, malnutrition, and microgravity. While Vitamin D receptor (VDR) is well known to regulate calcium and phosphate metabolism to maintain bone, recent studies have shown that VDR also plays roles in skeletal muscle development and homeostasis. Moreover, its expression is upregulated in muscle undergoing atrophy as well as after muscle injury. Here we show that VDR regulates simulated microgravity-induced atrophy in C2C12 myotubes in vitro. After 8 h of microgravity simulated using 3D-clinorotation, the VDR-binding motif was associated with chromatin regions closed by the simulated microgravity and enhancer regions inactivated by it, which suggests VDR mediates repression of enhancers. In addition, VDR was induced and translocated into the nuclei in response to simulated microgravity. VDR-deficient C2C12 myotubes showed resistance to simulated microgravity-induced atrophy and reduced induction of FBXO32, an atrophy-associated ubiquitin ligase. These results demonstrate that VDR contributes to the regulation of simulated microgravity-induced atrophy at least in part by controlling expression of atrophy-related genes.