bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of Seismo‐Volcanic Regimes at Whakaari/White Island (New Zealand) Via Systematic Tuning of an Unsupervised Classifier
Authors: Steinke B. , Jolly A. D. , Carniel R. , Dempsey D. E. , Cronin S. J.
Published: March 2023

We present an algorithm based on Self‐Organizing Maps (SOM) and k‐means clustering to recognize patterns in a continuous 12.5‐year tremor time series recorded at Whakaari/White Island volcano, New Zealand (hereafter referred to as Whakaari). The approach is extendable to a variety of volcanic settings through systematic tuning of the classifier. Hyperparameters are evaluated by statistical means, yielding a combination of “ideal” SOM parameters for the given data set. Extending from this, we applied a Kernel Density Estimation approach to automatically detect changes within the observed seismicity. We categorize the Whakaari seismic time series into regimes representing distinct volcano‐seismic states during recent unrest episodes at Whakaari (2012/2013, 2016, and 2019). There is a clear separation in classification results between background regimes and those representing elevated levels of unrest. Onset of unrest is detected by the classifier 6 weeks before the August 2012 eruption, and ca. 3.5 months before the December 2019 eruption, respectively. Regime changes are corroborated by changes in commonly monitored tremor proxies as well as with reported volcanic activity. The regimes are hypothesized to represent diverse mechanisms including: system pressurization and depressurization, degassing, and elevated surface activity. Labeling these regimes improves visualization of the 2012/2013 and 2019 unrest and eruptive episodes. The pre‐eruptive 2016 unrest showed a contrasting shape and nature of seismic regimes, suggesting differing onset and driving processes. The 2016 episode is proposed to result from rapid destabilization of the shallow hydrothermal system, while rising magmatic gases from new injections of magma better explain the 2012/2013 and 2019 episodes.
Iron Limitation and Uneven Grazing Pressure on Phytoplankton Co‐Lead the Seasonal Species Succession in the Ross Ice Shelf Polynya
Authors: Zhang Yongli , Zhao Wei , Wei Hao , Yang Wei , Luo Xiaofan
Published: March 2023

The seasonal species succession of phytoplankton from Phaeocystis antarctica to diatoms in the Ross Ice Shelf Polynya (RISP) plays a fundamental role in food webs and ecosystem functioning. Previous studies have revealed that this seasonal succession is affected by differences in light, iron demand, aggregation, and subsequent sinking between these two taxa. This study further investigated the dominant process of species succession by analyzing the results of a bulk mixed‐layer ecosystem model. The mechanism of processes leading to the replacement by diatoms differs from that for triggering the initial P. antarctica bloom. Light triggered the spring bloom dominated by P. antarctica in iron‐rich surface water, which is resupplied by winter convective mixing from the lower layer pool. After reaching its maximum in mid‐November, the biomass of P. antarctica declined progressively due to the severe iron limitation. Seasonal species succession can be enhanced by a small amount of predation on P. antarctica by microzooplankton. The long‐term iron enrichment promotes the transition by supporting diatom growth. The balance between bottom‐up and top‐down processes plays a critical role in shaping the phytoplankton composition and promoting the seasonal species succession in the iron‐limited upper mixed layer of the RISP.
Experimental Investigations of Fracture Deformation, Flow, and Transport Using a Pressure‐Controlled Hele‐Shaw Cell and Digital Fabrication
Authors: Villamor‐Lora Rafael , Germaine John T. , Einstein Herbert H.
Published: March 2023

In this paper we present a novel pressure‐controlled Hele‐Shaw cell to investigate different physical processes in rough fractures using 3D‐printed rock analogs. Our system can measure high‐resolution fracture aperture and tracer concentration maps under relevant field stress conditions. Using a series of hydraulic and visual measurements, combined with numerical simulations, we investigate the evolving fracture geometry characteristics, pressure‐dependent hydraulic transmissivity, flow channeling, and the nature of mass transport as a function of normal stress. Our experimental results show that as the fracture closes and deforms under increasing normal loading: (a) the contact areas grow in number and size; (b) the flow paths become more focused and tortuous; and (c) the transport dynamics of conservative tracers evolve toward a higher dispersive regime. Moreover, under the applied experimental conditions, we observed excellent agreement between the simulated‐ and the experimentally measured‐hydraulic behavior.
How Reliable Are Impact Factors for Ranking Water Resources Journals? An Analysis of the 70,878 Citation Records of the 2002 and 2021 Top 10 Journals for the Last Two Decades
Authors: Pauwels Valentijn R. N.
Published: March 2023

Despite regularly being criticized, the Impact Factor (IF) remains a widely used journal analysis metric. In the Water Resources category of the Web of Science, a thorough investigation of the reliability of this metric is lacking. This study analyzed the citation records of the top 10 journals from 2002 through 2021 for the last two decades. Important to note, there are inconsistencies in the Web of Science database. Contradictory to many fields, few papers are uncited. However, the Simpson paradox applies. More specifically, on the one hand, the correlation between citations to papers 7 years post publication and 1 or 2 years post publication (which determine the IF) has increased, which supports this metric. On the other hand, many of the most highly cited papers at the time of the IF calculation are lowly cited 5 years afterward. Additionally, most currently very highly cited papers were relatively uncited when they were used in the IF calculation. This raises doubt about the usefulness of this metric. For a limited number of journals, papers from individual nations strongly influence the IF. Also, for a few journals, the IFs are strongly influenced by review papers, but leaving these out of the IF does change the top 3 and 10 of the rankings. The general conclusion is that IFs do contain some valuable information about the journals' citation impact, but that using them to rank journals is questionable practice.
Spatiotemporal pulse weaving scalar optical hopfions
Authors: Li Chenhui , Wang Sicong , Li Xiangping
Published: March 2023

Scalar optical hopfions weaved by nested equiphase lines in the shape of a toroidal vortex are theoretically designed and experimentally demonstrated. This category of hopfions manifesting as a spatiotemporally structured pulse propagating in space-time may enable encoding and transferring optical topological information in an additional (temporal) dimension.
Exosomal lncRNA HCG18 contributes to cholangiocarcinoma growth and metastasis through mediating miR-424-5p/SOX9 axis through PI3K/AKT pathway
Authors: Ni Qingfeng , Zhang Hai , Shi Xiaoli , Li Xiangcheng
Published: March 2023

Cholangiocarcinoma is a highly aggressive malignant tumor disease with the increasing incidence and mortality. It’s urgent to identify specific biomarkers for cholangiocarcinoma treatment and diagnosis. Recent studies have noted the importance of lncRNAs in cancer and the following downstream mechanism with miRNAs network has been a hotspot. This work aimed to discover the role of lncRNA HCG18 and its possible downstream mechanism in cholangiocarcinoma tumor progression. Initially, through bioinformatics tools, we observed abnormal expression of lncRNA HCG18 in cholangiocarcinoma. In vitro experiments like (CCK-8, EdU, colony formation, flow cytometry, transwell, wound healing assays) and animal study confirmed that lncRNA HCG18 served as a cancer-promoting gene, promoted cancer proliferation, migration and invasion abilities. Besides, we found cancer cell-secreted exosomes transitted HCG18 to surrounding tumor cells and accelerated tumor growth and metastasis. After that, we confirmed HCG18 directly interacted with miR-424-5p through FISH, RIP and dual luciferase reporter assays with negative modulation. The inhibition of miR-424-5p reversed the HCG18 knockdown induced suppression on cholangiocarcinoma cancer cells. More specific, miR-424-5p targeted to SOX9 contributed to cholangiocarcinoma growth and metastasis through mediating PI3K/AKT pathway. In conclusion, these findings provide solid evidence of lncRNAs/miRNAs regulation in cholangiocarcinoma progression.
β3-adrenergic receptor on tumor-infiltrating lymphocytes sustains IFN-γ-dependent PD-L1 expression and impairs anti-tumor immunity in neuroblastoma
Authors: Bruno Gennaro , Nastasi Nicoletta , Subbiani Angela , Boaretto Alessia , Ciullini Mannurita Sara , Mattei Gianluca , Nardini Patrizia , Della Bella Chiara , Magi Alberto , Pini Alessandro , De Marco Emanuela , Tondo Annalisa , Favre Claudio , Calvani Maura
Published: March 2023

Neuroblastoma (NB) is a heterogeneous extracranial tumor occurring in childhood. A distinctive feature of NB tumors is their neuroendocrine ability to secrete catecholamines, which in turn, via β-adrenergic receptors ligation, may affect different signaling pathways in tumor microenvironment (TME). It was previously demonstrated that specific antagonism of β3-adrenergic receptor (β3-AR) on NB tumor cells affected tumor growth and progression. Here, in a murine syngeneic model of NB, we aimed to investigate whether the β3-AR modulation influenced the host immune system response against tumor. Results demonstrated that β3-AR antagonism lead to an immune response reactivation, partially dependent on the PD-1/PD-L1 signaling axis involvement. Indeed, β3-AR blockade on tumor-infiltrating lymphocytes (TILs) dampened their ability to secrete IFN-γ, which in turn reduced the PD-L1 expression, caused by TILs infiltration, on NB tumor cells. Further investigations, through a genomic analysis on NB patients, showed that high ADRB3 gene expression correlates with worse clinical outcome compared to the low expression group, and that ADRB3 gene expression affects different immune-related pathways. Overall, results indicate that β3-AR in NB TME is able to modulate the interaction between tumor and host immune system, and that its antagonism hits multiple pro-tumoral signaling pathways.
A noncanonical response to replication stress protects genome stability through ROS production, in an adaptive manner
Authors: Ragu Sandrine , Droin Nathalie , Matos-Rodrigues Gabriel , Barascu Aurélia , Caillat Sylvain , Zarkovic Gabriella , Siberchicot Capucine , Dardillac Elodie , Gelot Camille , Guirouilh-Barbat Josée , Radicella J. Pablo , Ishchenko Alexander A. , Ravanat Jean-Luc , Solary Eric , Lopez Bernard S.
Published: March 2023

Cells are inevitably challenged by low-level/endogenous stresses that do not arrest DNA replication. Here, in human primary cells, we discovered and characterized a noncanonical cellular response that is specific to nonblocking replication stress. Although this response generates reactive oxygen species (ROS), it induces a program that prevents the accumulation of premutagenic 8-oxoguanine in an adaptive way. Indeed, replication stress-induced ROS (RIR) activate FOXO1-controlled detoxification genes such as SEPP1, catalase, GPX1, and SOD2. Primary cells tightly control the production of RIR: They are excluded from the nucleus and are produced by the cellular NADPH oxidases DUOX1/DUOX2, whose expression is controlled by NF-κB, which is activated by PARP1 upon replication stress. In parallel, inflammatory cytokine gene expression is induced through the NF-κB-PARP1 axis upon nonblocking replication stress. Increasing replication stress intensity accumulates DNA double-strand breaks and triggers the suppression of RIR by p53 and ATM. These data underline the fine-tuning of the cellular response to stress that protects genome stability maintenance, showing that primary cells adapt their responses to replication stress severity.
Evaluation and pilot testing of a multidisciplinary model of care to mainstream genomic testing for paediatric inborn errors of immunity
Authors: Yanes Tatiane , Sullivan Anna , Barbaro Pasquale , Brion Kristian , Hollway Georgina , Peake Jane , McNaughton Peter
Published: March 2023

Molecular diagnosis of paediatric inborn errors of immunity (IEI) influences management decisions and alters clinical outcomes, through early use of targeted and curative therapies. The increasing demand for genetic services has resulted in growing waitlists and delayed access to vital genomic testing. To address this issue, the Queensland Paediatric Immunology and Allergy Service, Australia, developed and evaluated a mainstreaming model of care to support point-of-care genomic testing for paediatric IEI. Key features of the model of care included a genetic counsellor embedded in the department, state-wide multidisciplinary team meetings, and variant prioritisation meetings to review whole exome sequencing (WES) data. Of the 62 children presented at the MDT, 43 proceeded to WES, of which nine (21%) received a confirmed molecular diagnosis. Changes to treatment and management were reported for all children with a positive result, including curative hematopoietic stem cell transplantation (n = 4). Four children were also referred for further investigations of variants of uncertain significance or additional testing due to ongoing suspicion of genetic cause after negative result. Demonstrating engagement with the model of care, 45% of the patients were from regional areas and on average, 14 healthcare providers attended the state-wide multidisciplinary team meetings. Parents demonstrated understanding of the implications of testing, reported minimal decisional regret post-test, and identified benefits to genomic testing. Overall, our program demonstrated the feasibility of a mainstreaming model of care for paediatric IEI, improved access to genomic testing, facilitated treatment decision-making, and was acceptable to parents and clinicians alike.
An Igh distal enhancer modulates antigen receptor diversity by determining locus conformation
Authors: Bhat Khalid H. , Priyadarshi Saurabh , Naiyer Sarah , Qu Xinyan , Farooq Hammad , Kleiman Eden , Xu Jeffery , Lei Xue , Cantillo Jose F. , Wuerffel Robert , Baumgarth Nicole , Liang Jie , Feeney Ann J. , Kenter Amy L.
Published: March 2023

The mouse Igh locus is organized into a developmentally regulated topologically associated domain (TAD) that is divided into subTADs. Here we identify a series of distal VH enhancers (EVHs) that collaborate to configure the locus. EVHs engage in a network of long-range interactions that interconnect the subTADs and the recombination center at the DHJH gene cluster. Deletion of EVH1 reduces V gene rearrangement in its vicinity and alters discrete chromatin loops and higher order locus conformation. Reduction in the rearrangement of the VH11 gene used in anti-PtC responses is a likely cause of the observed reduced splenic B1 B cell compartment. EVH1 appears to block long-range loop extrusion that in turn contributes to locus contraction and determines the proximity of distant VH genes to the recombination center. EVH1 is a critical architectural and regulatory element that coordinates chromatin conformational states that favor V(D)J rearrangement.
Variable microtubule architecture in the malaria parasite
Authors: Ferreira Josie L. , Pražák Vojtěch , Vasishtan Daven , Siggel Marc , Hentzschel Franziska , Binder Annika M. , Pietsch Emma , Kosinski Jan , Frischknecht Friedrich , Gilberger Tim W. , Grünewald Kay
Published: March 2023

Microtubules are a ubiquitous eukaryotic cytoskeletal element typically consisting of 13 protofilaments arranged in a hollow cylinder. This arrangement is considered the canonical form and is adopted by most organisms, with rare exceptions. Here, we use in situ electron cryo-tomography and subvolume averaging to analyse the changing microtubule cytoskeleton of Plasmodium falciparum, the causative agent of malaria, throughout its life cycle. Unexpectedly, different parasite forms have distinct microtubule structures coordinated by unique organising centres. In merozoites, the most widely studied form, we observe canonical microtubules. In migrating mosquito forms, the 13 protofilament structure is further reinforced by interrupted luminal helices. Surprisingly, gametocytes contain a wide distribution of microtubule structures ranging from 13 to 18 protofilaments, doublets and triplets. Such a diversity of microtubule structures has not been observed in any other organism to date and is likely evidence of a distinct role in each life cycle form. This data provides a unique view into an unusual microtubule cytoskeleton of a relevant human pathogen.
Growth anisotropy of the extracellular matrix shapes a developing organ
Authors: Harmansa Stefan , Erlich Alexander , Eloy Christophe , Zurlo Giuseppe , Lecuit Thomas
Published: March 2023

Final organ size and shape result from volume expansion by growth and shape changes by contractility. Complex morphologies can also arise from differences in growth rate between tissues. We address here how differential growth guides the morphogenesis of the growing Drosophila wing imaginal disc. We report that 3D morphology results from elastic deformation due to differential growth anisotropy between the epithelial cell layer and its enveloping extracellular matrix (ECM). While the tissue layer grows in plane, growth of the bottom ECM occurs in 3D and is reduced in magnitude, thereby causing geometric frustration and tissue bending. The elasticity, growth anisotropy and morphogenesis of the organ are fully captured by a mechanical bilayer model. Moreover, differential expression of the Matrix metalloproteinase MMP2 controls growth anisotropy of the ECM envelope. This study shows that the ECM is a controllable mechanical constraint whose intrinsic growth anisotropy directs tissue morphogenesis in a developing organ.
Crevasse refreezing and signatures of retreat observed at Kamb Ice Stream grounding zone
Authors: Lawrence J. D. , Washam P. M. , Stevens C. , Hulbe C. , Horgan H. J. , Dunbar G. , Calkin T. , Stewart C. , Robinson N. , Mullen A. D. , Meister M. R. , Hurwitz B. C. , Quartini E. , Dichek D. J. G. , Spears A. , Schmidt B. E.
Published: March 2023

Ice streams flowing into Ross Ice Shelf are presently responsible for around 10% of the mass flux from West Antarctica, with the noteworthy exception of Kamb Ice Stream, which stagnated in the late 1800s. The subsequent reduction in ice supply led to grounding-line retreat at the coastal margin where Kamb transitions into the floating Ross Ice Shelf. Grounding-line migration is linked to broader changes in ice-sheet mass balance and sea level, but our understanding of related ice, ocean and seafloor interactions is limited by the difficulty in accessing these remote regions. Here we report in situ observations from an underwater vehicle deployed at Kamb that show how fine-scale variability in ice and ocean structure combine to influence a diversity of ice–ocean interactions. We found a stratified water column within a tenth of a degree of freezing at the ice base and mapped basal crevasses with supercooled water and active marine ice formation. At the seafloor, we interpret parallel ridges as crevasse impressions left as the ice lifted off during grounding-line retreat. These observations from a recently ungrounded sub-shelf environment illuminate both the geomorphological signatures of past grounding-line retreat and the fine-scale sensitivity of ongoing ice–ocean interactions to ice topography.
Resonant plasmonic micro-racetrack modulators with high bandwidth and high temperature tolerance
Authors: Eppenberger Marco , Messner Andreas , Bitachon Bertold Ian , Heni Wolfgang , Blatter Tobias , Habegger Patrick , Destraz Marcel , De Leo Eva , Meier Norbert , Del Medico Nino , Hoessbacher Claudia , Baeuerle Benedikt , Leuthold Juerg
Published: March 2023

Resonant modulators encode electrical data onto wavelength-multiplexed optical carriers. Today, silicon microring modulators are perceived as promising to implement such links; however, they provide limited bandwidth and need thermal stabilization systems. Here we present plasmonic micro-racetrack modulators as a potential successor of silicon microrings: they are equally compact and compatible with complementary-metal–oxide–semiconductor-level driving voltages, but offer electro-optical bandwidths of 176 GHz, a 28 times improved stability against operating temperature changes and no self-heating effects. The temperature-resistant organic electro-optic material enables operation at 85 °C device temperature. We show intensity-modulated transmission of up to 408 Gbps at 12.3 femtojoules per bit with a single resonant modulator. Plasmonic micro-racetrack modulators offer a solution to encode high data rates (for example, the 1.6 Tbps envisioned by next-generation communications links) at a small footprint, with low power consumption and marginal, if no, temperature control.
In silico tissue generation and power analysis for spatial omics
Authors: Baker Ethan A. G. , Schapiro Denis , Dumitrascu Bianca , Vickovic Sanja , Regev Aviv
Published: March 2023

As spatially resolved multiplex profiling of RNA and proteins becomes more prominent, it is increasingly important to understand the statistical power available to test specific hypotheses when designing and interpreting such experiments. Ideally, it would be possible to create an oracle that predicts sampling requirements for generalized spatial experiments. However, the unknown number of relevant spatial features and the complexity of spatial data analysis make this challenging. Here, we enumerate multiple parameters of interest that should be considered in the design of a properly powered spatial omics study. We introduce a method for tunable in silico tissue (IST) generation and use it with spatial profiling data sets to construct an exploratory computational framework for spatial power analysis. Finally, we demonstrate that our framework can be applied across diverse spatial data modalities and tissues of interest. While we demonstrate ISTs in the context of spatial power analysis, these simulated tissues have other potential use cases, including spatial method benchmarking and optimization.
Relationship between postpartum depression and plasma vasopressin level at 6–8 weeks postpartum: a cross-sectional study
Authors: Kashkouli Masoumeh , Jahanian Sadatmahalleh Shahideh , Ziaei Saeideh , Kazemnejad Anoshirvan , Saber Ashraf , Darvishnia Hamid , Azarbayjani Khadijeh
Published: March 2023

Postpartum depression (PPD) is the most important postpartum mood disorder due to its significant effect on both the infant and family health. Arginine vasopressin (AVP) has been suggested as a hormonal agent involved in the development of depression. The purpose of this study was to investigate the relationship between the plasma concentrations of AVP and the score of Edinburgh Postnatal Depression Scale (EPDS). This cross-sectional study was conducted in 2016–2017 in Darehshahr Township, Ilam Province, Iran. In the first phase, 303 pregnant women, who were at 38 weeks, met the inclusion criteria, and were not depressed (according to their EPDS scores) were included in the study. In the 6–8 week postpartum follow-up, using the EPDS, 31 depressed individuals were diagnosed and referred to a psychiatrist for confirmation. The maternal venous blood samples of 24 depressed individuals still meeting the inclusion criteria and 66 randomly selected non-depressed subjects were obtained to measure their AVP plasma concentrations with ELISA assay. There was a significant positive relationship between plasma AVP levels and the EPDS score (P = 0.000, r = 0.658). Also the mean plasma concentration of AVP was significantly higher in the depressed group (41.35 ± 13.75 ng/ml) than in the non-depressed group (26.01 ± 7.83 ng/ml) (P < 0.001). In a multiple logistic regression model for various parameters, increased vasopressin levels were associated with increased odds of PPD (OR = 1.15, 95% CI = 1.07–1.24, P = 0.000). Furthermore, multiparity (OR = 5.45, 95% CI = 1.21–24.43, P = 0.027) and non-exclusive breastfeeding (OR = 13.06, 95% CI = 1.36–125, P = 0.026) were associated with increased odds of PPD. Maternal gender preference (having a baby of desired and desired sex) decreased the odds of PPD (OR = 0.13, 95% CI = 0.02–0.79, P = 0.027 and OR = 0.08, 95% CI = 0.01–0.5, P = 0.007). AVP seems to be a contributor to clinical PPD by affecting the hypothalamic–pituitary–adrenal (HPA) axis activity. Furthermore, primiparous women had significantly lower EPDS scores.
Alcobiosis, an algal-fungal association on the threshold of lichenisation
Authors: Vondrák Jan , Svoboda Stanislav , Zíbarová Lucie , Štenclová Lenka , Mareš Jan , Pouska Václav , Košnar Jiří , Kubásek Jiří
Published: March 2023

Alcobiosis, the symbiosis of algae and corticioid fungi, frequently occurs on bark and wood. Algae form a layer in or below fungal basidiomata reminiscent of the photobiont layer in lichens. Identities of algal and fungal partners were confirmed by DNA barcoding. Algal activity was examined using gas exchange and chlorophyll fluorescence techniques. Carbon transfer from algae to fungi was detected as 13C, assimilated by algae, transferred to the fungal polyol. Nine fungal partners scattered across Agaricomycetes are associated with three algae from Trebouxiophycae: Coccomyxa sp. with seven fungal species on damp wood, Desmococcus olivaceus and Tritostichococcus coniocybes, both with a single species on bark and rain-sheltered wood, respectively. The fungal partner does not cause any obvious harm to the algae. Algae enclosed in fungal tissue exhibited a substantial CO2 uptake, but carbon transfer to fungal tissues was only detected in the Lyomyces-Desmococcus alcobiosis where some algal cells are tightly enclosed by hyphae in goniocyst-like structures. Unlike lichen mycobionts, fungi in alcobioses are not nutritionally dependent on the algal partner as all of them can live without algae. We consider alcobioses to be symbioses in various stages of co-evolution, but still quite different from true lichens.
Synchrony to a beat predicts synchrony with other minds
Authors: Wohltjen Sophie , Toth Brigitta , Boncz Adam , Wheatley Thalia
Published: March 2023

Synchrony has been used to describe simple beat entrainment as well as correlated mental processes between people, leading some to question whether the term conflates distinct phenomena. Here we ask whether simple synchrony (beat entrainment) predicts more complex attentional synchrony, consistent with a common mechanism. While eye-tracked, participants listened to regularly spaced tones and indicated changes in volume. Across multiple sessions, we found a reliable individual difference: some people entrained their attention more than others, as reflected in beat-matched pupil dilations that predicted performance. In a second study, eye-tracked participants completed the beat task and then listened to a storyteller, who had been previously recorded while eye-tracked. An individual’s tendency to entrain to a beat predicted how strongly their pupils synchronized with those of the storyteller, a corollary of shared attention. The tendency to synchronize is a stable individual difference that predicts attentional synchrony across contexts and complexity.
Drug–target interaction prediction based on protein features, using wrapper feature selection
Authors: Abbasi Mesrabadi Hengame , Faez Karim , Pirgazi Jamshid
Published: March 2023

Drug–target interaction prediction is a vital stage in drug development, involving lots of methods. Experimental methods that identify these relationships on the basis of clinical remedies are time-taking, costly, laborious, and complex introducing a lot of challenges. One group of new methods is called computational methods. The development of new computational methods which are more accurate can be preferable to experimental methods, in terms of total cost and time. In this paper, a new computational model to predict drug–target interaction (DTI), consisting of three phases, including feature extraction, feature selection, and classification is proposed. In feature extraction phase, different features such as EAAC, PSSM and etc. would be extracted from sequence of proteins and fingerprint features from drugs. These extracted features would then be combined. In the next step, one of the wrapper feature selection methods named IWSSR, due to the large amount of extracted data, is applied. The selected features are then given to rotation forest classification, to have a more efficient prediction. Actually, the innovation of our work is that we extract different features; and then select features by the use of IWSSR. The accuracy of the rotation forest classifier based on tenfold on the golden standard datasets (enzyme, ion channels, G-protein-coupled receptors, nuclear receptors) is as follows: 98.12, 98.07, 96.82, and 95.64. The results of experiments indicate that the proposed model has an acceptable rate in DTI prediction and is compatible with the proposed methods in other papers.
Multidimensional variability in ecological assessments predicts two clusters of suicidal patients
Authors: Bonilla-Escribano Pablo , Ramírez David , Baca-García Enrique , Courtet Philippe , Artés-Rodríguez Antonio , López-Castromán Jorge
Published: March 2023

The variability of suicidal thoughts and other clinical factors during follow-up has emerged as a promising phenotype to identify vulnerable patients through Ecological Momentary Assessment (EMA). In this study, we aimed to (1) identify clusters of clinical variability, and (2) examine the features associated with high variability. We studied a set of 275 adult patients treated for a suicidal crisis in the outpatient and emergency psychiatric departments of five clinical centers across Spain and France. Data included a total of 48,489 answers to 32 EMA questions, as well as baseline and follow-up validated data from clinical assessments. A Gaussian Mixture Model (GMM) was used to cluster the patients according to EMA variability during follow-up along six clinical domains. We then used a random forest algorithm to identify the clinical features that can be used to predict the level of variability. The GMM confirmed that suicidal patients are best clustered in two groups with EMA data: low- and high-variability. The high-variability group showed more instability in all dimensions, particularly in social withdrawal, sleep measures, wish to live, and social support. Both clusters were separated by ten clinical features (AUC = 0.74), including depressive symptoms, cognitive instability, the intensity and frequency of passive suicidal ideation, and the occurrence of clinical events, such as suicide attempts or emergency visits during follow-up. Initiatives to follow up suicidal patients with ecological measures should take into account the existence of a high variability cluster, which could be identified before the follow-up begins.
An innovative wireless electrochemical card sensor for field-deployable diagnostics of Hepatitis B surface antigen
Authors: Teengam Prinjaporn , Tangkijvanich Pisit , Chuaypen Natthaya , Chailapakul Orawon
Published: March 2023

A wireless-based detection utilizing an innovative electrochemical card (eCard) sensor controlled by a smartphone was developed for targeting Hepatitis B surface antigen (HBsAg). A simple label-free electrochemical platform allows a convenient operation for point-of-care diagnosis. A disposable screen-printed carbon electrode was modified straightforwardly layer-by-layer with chitosan followed by glutaraldehyde, allowing a simple but effective, reproducible, and stable method for covalently immobilizing antibodies. The modification and immobilization processes were verified by electrochemical impedance spectroscopy and cyclic voltammetry. The smartphone-based eCard sensor was used to quantify HBsAg by measuring the change in current response of the [Fe(CN)6]3-/4- redox couple before and after the presence of HBsAg. Under the optimal conditions, the linear calibration curve for HBsAg was found to be 10–100,000 IU/mL with a detection limit of 9.55 IU/mL. The HBsAg eCard sensor was successfully applied to detect 500 chronic HBV-infected serum samples with satisfactory results, demonstrating the excellent applicability of this system. The sensitivity and specificity of this sensing platform were found to be 97.75% and 93%, respectively. As illustrated, the proposed eCard immunosensor offered a rapid, sensitive, selective, and easy-to-use platform for healthcare providers to rapidly determine the infection status of HBV patients.
Effects of occipital-atlas stabilization on the upper cervical spine rotation combinations: an in vitro study
Authors: Hidalgo-García César , Lorente Ana I. , López-de-Celis Carlos , Lucha-López María Orosia , Rodríguez-Sanz Jacobo , Maza-Frechín Mario , Tricás-Moreno José Miguel , Krauss John , Pérez-Bellmunt Albert
Published: March 2023

The purpose of this study is to compare axial rotation range of motion for the upper cervical spine during three movements: axial rotation, rotation + flexion + ipsilateral lateral bending and rotation + extension + contralateral lateral bending before and after occiput-atlas (C0–C1) stabilization. Ten cryopreserved C0–C2 specimens (mean age 74 years, range 63–85 years) were manually mobilized in 1. axial rotation, 2. rotation + flexion + ipsilateral lateral bending and 3. rotation + extension + contralateral lateral bending without and with a screw stabilization of C0–C1. Upper cervical range of motion and the force used to generate the motion were measured using an optical motion system and a load cell respectively. The range of motion (ROM) without C0–C1 stabilization was 9.8° ± 3.9° in right rotation + flexion + ipsilateral lateral bending and 15.5° ± 5.9° in left rotation + flexion + ipsilateral lateral bending. With stabilization, the ROM was 6.7° ± 4.3° and 13.6° ± 5.3°, respectively. The ROM without C0–C1 stabilization was 35.1° ± 6.0° in right rotation + extension + contralateral lateral bending and 29.0° ± 6.5° in left rotation + extension + contralateral lateral bending. With stabilization, the ROM was 25.7° ± 6.4° (p = 0.007) and 25.3° ± 7.1°, respectively. Neither rotation + flexion + ipsilateral lateral bending (left or right) or left rotation + extension + contralateral lateral bending reached statistical significance. ROM without C0–C1 stabilization was 33.9° ± 6.7° in right rotation and 28.0° ± 6.9° in left rotation. With stabilization, the ROM was 28.5° ± 7.0° (p = 0.005) and 23.7° ± 8.5° (p = 0.013) respectively. The stabilization of C0–C1 reduced the upper cervical axial rotation in right rotation + extension + contralateral lateral bending and right and left axial rotations; however, this reduction was not present in left rotation + extension + contralateral lateral bending or both combinations of rotation + flexion + ipsilateral lateral bending.
GRB2 dimerization mediated by SH2 domain-swapping is critical for T cell signaling and cytokine production
Authors: Sandouk Aline , Xu Zhen , Baruah Sankar , Tremblay Mikaela , Hopkins Jesse B. , Chakravarthy Srinivas , Gakhar Lokesh , Schnicker Nicholas J. , Houtman Jon C. D.
Published: March 2023

GRB2 is an adaptor protein required for facilitating cytoplasmic signaling complexes from a wide array of binding partners. GRB2 has been reported to exist in either a monomeric or dimeric state in crystal and solution. GRB2 dimers are formed by the exchange of protein segments between domains, otherwise known as “domain-swapping”. Swapping has been described between SH2 and C-terminal SH3 domains in the full-length structure of GRB2 (SH2/C–SH3 domain-swapped dimer), as well as between α-helixes in isolated GRB2 SH2 domains (SH2/SH2 domain-swapped dimer). Interestingly, SH2/SH2 domain-swapping has not been observed within the full-length protein, nor have the functional influences of this novel oligomeric conformation been explored. We herein generated a model of full-length GRB2 dimer with an SH2/SH2 domain-swapped conformation supported by in-line SEC–MALS–SAXS analyses. This conformation is consistent with the previously reported truncated GRB2 SH2/SH2 domain-swapped dimer but different from the previously reported, full-length SH2/C-terminal SH3 (C–SH3) domain-swapped dimer. Our model is also validated by several novel full-length GRB2 mutants that favor either a monomeric or a dimeric state through mutations within the SH2 domain that abrogate or promote SH2/SH2 domain-swapping. GRB2 knockdown and re-expression of selected monomeric and dimeric mutants in a T cell lymphoma cell line led to notable defects in clustering of the adaptor protein LAT and IL-2 release in response to TCR stimulation. These results mirrored similarly-impaired IL-2 release in GRB2-deficient cells. These studies show that a novel dimeric GRB2 conformation with domain-swapping between SH2 domains and monomer/dimer transitions are critical for GRB2 to facilitate early signaling complexes in human T cells.
A study on disability glare vision in young adult subjects
Authors: Casado Pilar , Ávila Francisco J. , Collados Mª Victoria , Ares Jorge
Published: March 2023

The full assessment of the visual system must include the evaluation of the optical quality of the eye and neural visual functions. The objective evaluation of the retinal image quality is often carried out by computing the point spread function (PSF) of the eye. The central part of the PSF is associated with optical aberrations and the peripheral areas with scattering contributions. In that sense, visual acuity and contrast sensitivity function tests can be considered the perceptual neural response to those contributions characterizing the eye’s PSF. However, in natural viewing conditions, visual acuity tests may provide good vision while contrast sensitivity tests can reveal visual impairment in glare vision conditions, such as exposure to bright light sources or night driving conditions. Here we present an optical instrument for the study of disability glare vision under extended Maxwellian illumination to assess the contrast sensitivity function under glare conditions. The limit of the Total Disability Glare threshold, tolerance, and glare adaptation will be investigated as a function of the angular size of the glare source (GA) and the contrast sensitivity function in young adult subjects.
Risk factors for totally implantable access ports-associated thrombosis in pediatric oncology patients
Authors: Lan Yingxia , Wu Liuhong , Guo Jin , Wang Juan , Guan Huijie , Li Baihui , Liu Longzhen , Zhang Lian , Hong Ye , Deng Jun , Zhu Jia , Lu Suying , Sun Feifei , Huang Junting , Sun Xiaofei , Zhang Yizhuo , Wang Jian , Cai Ruiqing
Published: March 2023

The application of totally implantable access ports (TIAPs) reduces treatment-related discomfort; however, the existence of catheter may cause side effects, with the most common one being the occurrence of TIAPs-associated thrombosis. The risk factors for TIAPs-associated thrombosis in pediatric oncology patients have not been fully described. A total of 587 pediatric oncology patients undergoing TIAPs implantation at a single center over a 5-year period were retrospectively analyzed in the present study. We investigated the risk factors for thrombosis, emphasizing the internal jugular vein distance, by measuring the vertical distance from the highest point of the catheter to the upper border of the left and right extremitas sternalis claviculae on chest X-ray images. Among 587 patients, 143 (24.4%) had thrombosis. Platelet count, C-reactive protein, and the vertical distance from the highest point of the catheter to the upper border of the left and right extremitas sternalis claviculae were demonstrated to be the main risk factors for the development of TIAPs-associated thrombosis. TIAPs-associated thrombosis, especially asymptomatic events, is common in pediatric cancer patients. The vertical distance from the highest point of the catheter to the upper border of the left and right extremitas sternalis claviculae was a risk factor for TIAPs-associated thrombosis, which deserved additional attention.
A system for in-situ, wave-by-wave measurements of the speed and volume of coastal overtopping
Authors: Yelland Margaret J. , Brown Jennifer M. , Cardwell Christopher L. , Jones David S. , Pascal Robin W. , Pinnell Richard , Pullen Tim , Silva Eunice
Published: March 2023

Wave overtopping of sea defences poses a hazard to people and infrastructure. Rising sea levels and limited resources mean accurate prediction tools are needed to deliver cost-effective shoreline management plans. A dearth of in-situ data means that the numerical tools used for flood forecasting and coastal scheme design are based largely on data from idealised flume studies, and the resulting overtopping predictions may have orders of magnitude uncertainty for complicated structures and some environmental conditions. Furthermore, such studies usually only provide data on the total volume of overtopping water, and no data on the speed of the water. Here we present WireWall, an array of capacitance-based sensors which measure the speed and volume of overtopping water on a wave-by-wave basis. We describe the successful validation of WireWall against traditional flume methods and present results from the first trial deployments at a sea wall in the UK. WireWall results are also compared with numerical predictions based on EurOtop guidance. WireWall technology offers an approach for reliable acquisition of the data needed to develop resilient coastal protections schemes.
Label-free colorimetric apta-assay for detection of Escherichia coli based on gold nanoparticles with peroxidase-like amplification
Authors: Liu Mengyue , Zhang Fengjuan , Dou Shouyi , Sun Jiashuai , Vriesekoop Frank , Li Falan , Guo Yemin , Sun Xia
Published: March 2023

Schematic diagram of label-free colorimetric apta-assay based on AuNPs with peroxidase-like amplification.
Research on engineered electrocatalysts for efficient water splitting: a comprehensive review
Authors: Jayabharathi Jayaraman , Karthikeyan Balakrishnan , Vishnu Bakthavachalam , Sriram Sundarraj
Published: March 2023

Water electrolysis plays an interesting role toward hydrogen generation for overcoming global environmental crisis and solving the energy storage problem.
Constructing spin crossover-fluorescence bifunctional iron(ii) complexes based on tetraphenyl ethylene-decorated AIEgens
Authors: Yi Cheng , Zhang Shi-Hui , Zhao Liang , Yao Nian-Tao , Zhao Guo-Hui , Meng Yin-Shan , Liu Tao
Published: March 2023

Three new AIEgen-decorated mononuclear FeIIcomplexes were synthesized and characterized. Magnetic susceptibility and luminescence studies reveal these three complexes show SCO and AIE properties. Reasons for the absent synergy between SCO and luminescence were discussed.
Transformation of a copper-based metal–organic polyhedron into a mixed linker MOF for CO2 capture
Authors: Abbas Muhammad , Maceda Amanda M. , Xiao Zhifeng , Zhou Hong-Cai , Balkus Kenneth J.
Published: March 2023

Transformation of copper MOP-1 into a new mixed linker metal–organic framework CuMOF-Bipy.
In vitro digestion and colonic fermentation of phenolic compounds and their bioaccessibility from raw and roasted nut kernels
Authors: Li Minhao , Lu Peiyao , Wu Hanjing , de Souza Thaiza S. P. , Suleria Hafiz A. R.
Published: March 2023

Roasting and digestion affect nut kernel phenolic compounds’ bioaccessibility and bioactivity.
A comprehensive review on the ethnobotany, phytochemistry, pharmacology and quality control of the genusLyciumin China
Authors: Yu Zhonglian , Xia Mengqin , Lan Jiping , Yang Li , Wang Zhengtao , Wang Rui , Tao Hongxun , Shi Yanhong
Published: March 2023

The distribution, botanical features, and chemical compounds of theLyciumgenus in China, as well as the pharmacological effects and international quality control ofLyciumfruits, are comprehensively reviewed.
Mild and selective etherification of wheat straw lignin and lignin model alcohols by moisture-tolerant zirconium catalysis
Authors: Margarita Cristiana , Di Francesco Davide , Tuñon Hernando , Kumaniaev Ivan , Rada Carlos Jansson , Lundberg Helena
Published: March 2023

The direct etherification of wheat straw lignin and lignin model compounds using alcohols as reagents and zirconocene triflate as moisture-tolerant Lewis acidic catalyst is herein described.
Investigation of a method for the correction of self-absorption by Planck function in laser induced breakdown spectroscopy
Authors: Völker Tobias , Gornushkin Igor B.
Published: March 2023

Self-absorption correction of LIBS spectra using the Planck function or equivalently the plasma temperature.
Studies on the effect of polyhedral carboranes on the physicochemical properties of polycarboranosiloxanes
Authors: Minyaylo E. O. , Zubova V. Yu. , Zaitsev A. V. , Ol'shevskaya V. A. , Nikiforova G. G. , Buzin M. I. , Anisimov A. A. , Muzafarov A. M.
Published: March 2023

In this work, polycarboranosiloxanes with well-defined structures and a varying content of the carborane moiety (2–15 wt%) were obtained. Data of rheological studies indicate that phase separation occurs in such hybrid carboranosiloxane systems.
High-performance energy-storage ferroelectric multilayer ceramic capacitors via nano-micro engineering
Authors: Ma Ziyue , Li Yong , Zhao Ye , Sun Ningning , Lu Chunxiao , Han Pei , Wang Dawei , Hu Yanhua , Lou Xiaojie , Hao Xihong
Published: March 2023

Synergetic nano-micro engineering for energy-storage ceramic capacitors is a powerful approach to create and manipulate the degrees of freedom in tuning energy-storage behavior, resulting in an ultrahigh energy density together with high efficiency.
A rechargeable aqueous phenazine-Prussian blue proton battery with long cycle life
Authors: Zhang Xiaoqing , Zhang Xin , Miao Yao , Huang Qinghong , Chen Zhidong , Guo Dengfeng , Xu Juan , Shen Yong-Miao , Cao Jianyu
Published: March 2023

We report a high-performance rechargeable aqueous battery that operates with protons commuting between a fused-ring phenazine derivative anode and a Prussian blue analogue cathode.
AUNet: a deep learning method for spectral information classification to identify inks
Authors: Shi Yan , He Xinyu , Zhang Qinglun , Yin Chongbo , Feng Ninghui , Chen Haoming , Lin Hualing
Published: March 2023

A U-shaped network with attention modules (AUNet) is proposed and combined with a hyperspectral system to effectively identify different inks. It provides an effective detection method for illegal tampering with documents.
Controllable chiral inversion via thioether bond-activated J- and H-aggregation transformation
Authors: He Huiwen , Zheng Kai , Du Junnan , Zheng Hao , He Jing , Ma Meng , Shi Yanqin , Chen Si , Wang Xu
Published: March 2023

The transfer of inherent chirality from peripheral groups of chiral dendrimers to the supramolecular level could be controlled by thioether bond-activated transformation of J- and H-aggregation, which can be readily achieved by applying ultrasound, densification, or annealing.
Self-assembly of amphiphilic polyelectrolytes in trivalent salt solution
Authors: Liu Liyan , Wang Fujia , Liu Xinyi , Guo Lide , Gao Xiujun , Tan Hongge
Published: March 2023

Supra-micellar structures and reentrant effect of the assembled micelles can be observed in the self-assembly of polyelectrolyte copolymers in trivalent salt solution.
Flexible aqueous supercapacitors with excellent cycling performance and high-energy density based on mesocrystalline NiCo-LDHs
Authors: Xie Xiaohui , Song Jinyue , Fan Hongguang , Bai Lichong , Liu Shuang , Wang Yanpeng , Zheng Wansu , Liu Wei
Published: March 2023

The NiCo-LDH/NiO-Ni/CC electrode shows excellent electrochemical performance.
Negative electrodes for supercapacitors with good performance using conductive bismuth-catecholate metal–organic frameworks
Authors: Chen Si , Zhang Haoliang , Li Xu , Liu Yong , Zhang Mingyi , Gao Xiangyang , Chang Xin , Pu Xiangjun , He Chunqing
Published: March 2023

The Bi(HHTP) nanobelt electrode with charge storage mechanisms for battery-type and surface-capacitive modes displayed a high specific capacitance of 234.0 F g−1.