bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeted materials discovery using Bayesian algorithm execution
Authors: Chitturi Sathya R. , Ramdas Akash , Wu Yue , Rohr Brian , Ermon Stefano , Dionne Jennifer , Jornada Felipe H. da , Dunne Mike , Tassone Christopher , Neiswanger Willie , Ratner Daniel 
Published: July 2024

AbstractRapid discovery and synthesis of future materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties; however, materials design often requires finding specific subsets of the design space which meet more complex or specialized goals. We present a framework that captures experimental goals through straightforward user-defined filtering algorithms. These algorithms are automatically translated into one of three intelligent, parameter-free, sequential data collection strategies (SwitchBAX, InfoBAX, and MeanBAX), bypassing the time-consuming and difficult process of task-specific acquisition function design. Our framework is tailored for typical discrete search spaces involving multiple measured physical properties and short time-horizon decision making. We demonstrate this approach on datasets for TiO2 nanoparticle synthesis and magnetic materials characterization, and show that our methods are significantly more efficient than state-of-the-art approaches. Overall, our framework provides a practical solution for navigating the complexities of materials design, and helps lay groundwork for the accelerated development of advanced materials.
Mineralogical and geochemical composition of a cementitious grout and its evolution during interaction with water
Authors: Grangeon Sylvain , Debure Mathieu , Montouillout Valerie , Elkaim Erik , Lerouge Catherine , Maubec Nicolas , Michau Nicolas , Bourbon Xavier , Martin Christelle , Cochepin Benoit , Marty Nicolas 
Published: July 2024

AbstractIn the present study, the chemical composition, mineralogy, and mechanisms of alteration of a cementitious grout based on a CEM III/C with addition of smectite, hydrotalcite, and silica fume, are studied using a combination of chemical and physical methods. This material was designed in the context of geological repository of radioactive wastes, with a twofold aim: first, to fill the technical voids left by drilling operations at the interface between the geological formation and the disposal galleries. Second, to neutralize a potential acidic transient due to pyrite oxidation, and to create an environment that favors low corrosion rates of carbon steels. The grout is mainly composed of calcium silicate hydrates having a Ca/Si ratio of ~0.8, incorporating Al in the bridging site of the Si chains (C-A-S-H), and accounting for 29–36 wt.% of the sample. It also contains silica fume (38–48 wt.%), smectite with interlayer Na (11–17 wt.%), hydrotalcite with interlayer CO32− (3–4 wt.%), and lower amounts of portlandite, calcite, and possibly gibbsite and gypsum. Upon alteration by water in a flow-through reactor, the main modifications affecting the sample are calcite and gypsum dissolution, hence releasing aqueous Ca2+ that is adsorbed in smectite interlayer by replacing Na+, and stoichiometric C-A-S-H dissolution. The evolution of solution chemistry and of the solid phase composition are reproduced successfully using a thermokinetic model.
Parental education and children’s depression, anxiety, and ADHD traits, a within-family study in MoBa
Authors: Hughes Amanda M. , Torvik Fartein Ask , van Bergen Elsje , Hannigan Laurie J. , Corfield Elizabeth C. , Andreassen Ole A. , Ystrom Eivind , Ask Helga , Smith George Davey , Davies Neil M. , Havdahl Alexandra 
Published: July 2024

AbstractChildren born to parents with fewer years of education are more likely to have depression, anxiety, and attention-deficit hyperactivity disorder (ADHD), but it is unclear to what extent these associations are causal. We estimated the effect of parents’ educational attainment on children’s depressive, anxiety, and ADHD traits at age 8 years, in a sample of 40,879 Norwegian children born in 1998–2009 and their parents. We used within-family Mendelian randomization, which employs genetic variants as instrumental variables, and controlled for direct genetic effects by adjusting for children’s polygenic indexes. We found little evidence that mothers’ or fathers’ educational attainment independently affected children’s depressive, anxiety, or ADHD traits. However, children’s own polygenic scores for educational attainment were independently and negatively associated with these traits. Results suggest that differences in these traits according to parents’ education may reflect direct genetic effects more than genetic nurture. Consequences of social disadvantage for children’s mental health may however be more visible in samples with more socioeconomic variation, or contexts with larger socioeconomic disparities than present-day Norway. Further research is required in populations with more educational and economic inequality and in other age groups.
Profiling protein–protein interactions to predict the efficacy of B-cell-lymphoma-2-homology-3 mimetics for acute myeloid leukaemia
Authors: Chun Changju , Byun Ja Min , Cha Minkwon , Lee Hongwon , Choi Byungsan , Kim Hyunwoo , Hong Saem , Lee Yunseo , Park Hayoung , Koh Youngil , Yoon Tae-Young 
Published: July 2024

AbstractB-cell-lymphoma-2 (BCL2) homology-3 (BH3) mimetics are inhibitors of protein–protein interactions (PPIs) that saturate anti-apoptotic proteins in the BCL2 family to induce apoptosis in cancer cells. Despite the success of the BH3-mimetic ABT-199 for the treatment of haematological malignancies, only a fraction of patients respond to the drug and most patients eventually develop resistance to it. Here we show that the efficacy of ABT-199 can be predicted by profiling the rewired status of the PPI network of the BCL2 family via single-molecule pull-down and co-immunoprecipitation to quantify more than 20 types of PPI from a total of only 1.2 × 106 cells per sample. By comparing the obtained multidimensional data with BH3-mimetic efficacies determined ex vivo, we constructed a model for predicting the efficacy of ABT-199 that designates two complexes of the BCL2 protein family as the primary mediators of drug effectiveness and resistance, and applied it to prospectively assist therapeutic decision-making for patients with acute myeloid leukaemia. The characterization of PPI complexes in clinical specimens opens up opportunities for individualized protein-complex-targeting therapies.
Quadrupling the depairing current density in the iron-based superconductor SmFeAsO1–xHx
Authors: Miura Masashi , Eley Serena , Iida Kazumasa , Hanzawa Kota , Matsumoto Jumpei , Hiramatsu Hidenori , Ogimoto Yuki , Suzuki Takumi , Kobayashi Tomoki , Ozaki Toshinori , Kurokawa Hodaka , Sekiya Naoto , Yoshida Ryuji , Kato Takeharu , Okada Tatsunori , Okazaki Hiroyuki , Yamaki Tetsuya , Hänisch Jens , Awaji Satoshi , Maeda Atsutaka , Maiorov Boris , Hosono Hideo 
Published: July 2024

AbstractIron-based 1111-type superconductors display high critical temperatures and relatively high critical current densities Jc. The typical approach to increasing Jc is to introduce defects to control dissipative vortex motion. However, when optimized, this approach is theoretically predicted to be limited to achieving a maximum Jc of only ∼30% of the depairing current density Jd, which depends on the coherence length and the penetration depth. Here we dramatically boost Jc in SmFeAsO1–xHx films using a thermodynamic approach aimed at increasing Jd and incorporating vortex pinning centres. Specifically, we reduce the penetration depth, coherence length and critical field anisotropy by increasing the carrier density through high electron doping using H substitution. Remarkably, the quadrupled Jd reaches 415 MA cm–2, a value comparable to cuprates. Finally, by introducing defects using proton irradiation, we obtain high Jc values in fields up to 25 T. We apply this method to other iron-based superconductors and achieve a similar enhancement of current densities.
Efficacy of stem cells versus microvesicles in ameliorating chronic renal injury in rats (histological and biochemical study)
Authors: Mohammed Maha Z. , Abdelrahman Shaimaa A. , El-Shal Amal S. , Abdelrahman Abeer A. , Hamdy Marwa , Sarhan Walaa M. 
Published: July 2024

AbstractChronic exposure to heavy metals as aluminum chloride (AlCl3) could result in severe health hazards such as chronic renal injury. The present study aimed to evaluate the therapeutic potential of adipose tissue-derived stem cells (ASCs) in comparison to their microvesicles (MV) in AlCl3-induced chronic renal injury. Forty-eight adult male Wistar rats were divided into four groups: Control group, AlCl3-treated group, AlCl3/ASC-treated group, and AlCl3/MV-treated group. Biochemical studies included estimation of serum urea and creatinine levels, oxidative biomarkers assay, antioxidant biomarkers, serum cytokines (IL-1β, IL-8, IL-10, and IL-33), real time-PCR analysis of renal tissue MALT1, TNF-α, IL-6, and serum miR-150-5p expression levels. Histopathological studies included light and electron microscopes examination of renal tissue, Mallory trichrome stain for fibrosis, Periodic acid Schiff (PAS) stain for histochemical detection of carbohydrates, and immunohistochemical detection of Caspase-3 as apoptosis marker, IL-1B as a proinflammatory cytokine and CD40 as a marker of MVs. AlCl3 significantly deteriorated kidney function, enhanced renal MDA and TOS, and serum cytokines concentrations while decreased the antioxidant parameters (SOD, GSH, and TAC). Moreover, serum IL-10, TNF-α, miR-150-5p, and renal MALT1 expression values were significantly higher than other groups. Kidney sections showed marked histopathological damage in both renal cortex and medulla in addition to enhanced apoptosis and increased inflammatory cytokines immunoexpression than other groups. Both ASCs and MVs administration ameliorated the previous parameters levels with more improvement was detected in MVs-treated group. In conclusion: ASCs-derived MVs have a promising ameliorating effect on chronic kidney disease.
Surface-energy ratchet motor with geometrical symmetry driven by biased random walk
Authors: Hatatani Miku , Yamamoto Daigo , Shioi Akihisa 
Published: July 2024

AbstractA geometrically symmetric gear with asymmetric surface wettability exhibits one-way spin on a vibrating water bed. On the side face of the gear, a parafilm was coated to create asymmetry in the surface energy. The gear shows fluctuations in both directions within a shorter timescale; however, for a longer timescale, the gear exhibits a one-way spin. This unique motion is generated by a stochastic process with a biased driving force produced by the interaction between the vibrating water surface and the side face of the gear. This new model resembles an active Brownian ratchet. Until now, most ratchet motors, which obtain regular motion from nonthermal fluctuations, utilize a geometrical ratchet structure. However, in this study, the surface energy forms a ratchet that rectifies the noisy motion.
Systematic study on date palm seeds (Phoenix dactylifera L.) extraction optimisation using natural deep eutectic solvents and ultrasound technique
Authors: Alfaleh Alanood A. , Sindi Heba A. 
Published: July 2024

AbstractNatural deep eutectic solvents (NADES) are emerging, environment-friendly solvents that have garnered attention for their application in extracting phenolic compounds. This study investigated the effects of four synthetic NADES on polyphenols extracted from date seeds (DS) using choline chloride (ChCl) as a hydrogen-bond acceptor and lactic acid (La), citric acid (Citri), glycerol (Gly), and fructose (Fruc) as hydrogen-bond donors, in comparison with DS extracts extracted by conventional solvents (water, 70% methanol, and 70% ethanol). The antioxidant activity (DPPH), total phenolic content (TPC) and 6 phenolic compounds were determined using HPLC. The results showed that the ChCl–La and ChCl–Citri systems exhibited a high extraction efficiency regarding TPC, and DPPH in the DS extracts extracted by NADES compare to those DS extracts extracted with conventional solvents (p ˂ 0.001). HPLC results demonstrated that DS extracted by ChCl–La contained all measured phenolic compounds. Also gallic acid and catechin were the major compounds identified in the DS extracts. In addition DS extracted by ChCl–Citri and ChCl–Gly had the highest concentration of catechin. In conclusion, combining NADES is a promising and environment-friendly alternative to the conventional solvent extraction of phenolic compounds from DS.
Identifying subtypes and developing prognostic models based on N6-methyladenosine and immune microenvironment related genes in breast cancer
Authors: Wang Lizhao , Li Jianpeng , Mei Nan , Chen Heyan , Niu Ligang , He Jianjun , Wang Ru 
Published: July 2024

AbstractBreast cancer (BC) is the most prevalent cancer in women globally. The tumor microenvironment (TME), comprising epithelial tumor cells and stromal elements, is vital for breast tumor development. N6-methyladenosine (m6A) modification plays a key role in RNA metabolism, influencing its various aspects such as stability and translation. There is a notable link between m6A methylation and immune cells in the TME, although this relationship is complex and not fully deciphered. In this research, BC expression and clinicopathological data from TCGA were scrutinized to assess expression profiles, mutations, and CNVs of 31 m6A genes and immune microenvironment-related genes, examining their correlations, functions, and prognostic impacts. Lasso and Cox regression identified prognostic genes for constructing a nomogram. Single-cell analyses mapped the distribution and patterns of these genes in BC cell development. We investigated associations between gene-derived risk scores and factors like immune infiltration, TME, checkpoints, TMB, CSC indices, and drug response. As a complement to computational analyses, in vitro experiments were conducted to confirm these expression patterns. We included 31 m6A regulatory genes and discovered a correlation between these genes and the extent of immune cell infiltration. Subsequently, a 7-gene risk score was generated, encompassing HSPA2, TAP1, ULBP2, CXCL1, RBP1, STC2, and FLT3. It was observed that the low-risk group exhibited better overall survival (OS) in BC, with higher immune scores but lower tumor mutational burden (TMB) and cancer stem cell (CSC) indices, as well as lower IC50 values for commonly used drugs. To enhance clinical applicability, age and stage were incorporated into the risk score, and a more comprehensive nomogram was constructed to predict OS. This nomogram was validated and demonstrated good predictive performance, with area under the curve (AUC) values for 1-year, 3-year, and 5-year OS being 0.848, 0.807, and 0.759, respectively. Our findings highlight the profound impact of prognostic-related genes on BC immune response and prognostic outcomes, suggesting that modulation of the m6A-immune pathway could offer new avenues for personalized BC treatment and potentially improve clinical outcomes.
Oligoclonal CD4+CXCR5+ T cells with a cytotoxic phenotype appear in tonsils and blood
Authors: Liang Chunguang , Spoerl Silvia , Xiao Yin , Habenicht Katharina M. , Haeusl Sigrun S. , Sandner Isabel , Winkler Julia , Strieder Nicholas , Eder Rüdiger , Stanewsky Hanna , Alexiou Christoph , Dudziak Diana , Rosenwald Andreas , Edinger Matthias , Rehli Michael , Hoffmann Petra , Winkler Thomas H. , Berberich-Siebelt Friederike 
Published: July 2024

AbstractIn clinical situations, peripheral blood accessible CD3+CD4+CXCR5+ T-follicular helper (TFH) cells may have to serve as a surrogate indicator for dysregulated germinal center responses in tissues. To determine the heterogeneity of TFH cells in peripheral blood versus tonsils, CD3+CD4+CD45RA–CXCR5+ cells of both origins were sorted. Transcriptomes, TCR repertoires and cell-surface protein expression were analysed by single-cell RNA sequencing, flow cytometry and immunohistochemistry. Reassuringly, all blood-circulating CD3+CD4+CXCR5+ T-cell subpopulations also appear in tonsils, there with some supplementary TFH characteristics, while peripheral blood-derived TFH cells display markers of proliferation and migration. Three further subsets of TFH cells, however, with bona fide T-follicular gene expression patterns, are exclusively found in tonsils. One additional, distinct and oligoclonal CD4+CXCR5+ subpopulation presents pronounced cytotoxic properties. Those ‘killer TFH (TFK) cells’ can be discovered in peripheral blood as well as among tonsillar cells but are located predominantly outside of germinal centers. They appear terminally differentiated and can be distinguished from all other TFH subsets by expression of NKG7 (TIA-1), granzymes, perforin, CCL5, CCR5, EOMES, CRTAM and CX3CR1. All in all, this study provides data for detailed CD4+CXCR5+ T-cell assessment of clinically available blood samples and extrapolation possibilities to their tonsil counterparts.
Multi-decadal groundwater observations reveal surprisingly stable levels in southwestern Europe
Authors: Chávez García Silva Rafael , Reinecke Robert , Copty Nadim K. , Barry David A. , Heggy Essam , Labat David , Roggero Pier Paolo , Borchardt Dietrich , Rode Michael , Gómez-Hernández J. Jaime , Jomaa Seifeddine 
Published: July 2024

AbstractClimate change and human activity are leading to water scarcity in southwestern Europe. Groundwater use is thought to be unsustainable in the region, yet regional assessments using measured data are missing. Here, we evaluate long-term trends and drivers of groundwater levels and found a more complex situation. Historical data (1960–2020) from 12,398 wells in Portugal, Spain, France, and Italy showed 20% with rising groundwater levels, 68% were stable, and only 12% were declining. Rising wells in temperate climates were due to increased precipitation. Recovering wells in semi-arid regions were attributed to improved groundwater management. Stable wells are concentrated in temperate climates with year-round high precipitation. Declining wells in semi-arid regions are primarily located near agricultural areas and experience prolonged summer soil moisture loss, whereas in temperate regions, the decline is associated with large urban areas. Systematic groundwater monitoring and data sharing are essential for sustainable and science-based water resources management.
A framework for neurophysiological experiments on flow states
Authors: Durcan Oliver , Holland Peter , Bhattacharya Joydeep 
Published: July 2024

AbstractCsikszentmihalyi’s concept of the “flow state” was initially discovered in experts deeply engaged in self-rewarding activities. However, recent neurophysiology research often measures flow in constrained and unfamiliar activities. In this perspective article, we address the challenging yet necessary considerations for studying flow state’s neurophysiology. We aggregate an activity-autonomy framework with several testable hypotheses to induce flow, expanding the traditional “challenge skill balance” paradigm. Further, we review and synthesise the best methodological practices from neurophysiological flow studies into a practical 24-item checklist. This checklist offers detailed guidelines for ensuring consistent reporting, personalising and testing isolated challenge types, factoring in participant skills, motivation, and individual differences, and processing self-report data. We argue for a cohesive approach in neurophysiological studies to capture a consistent representation of flow states.
An adaptive gain phase‐locked loop for position sensorless control of permanent magnet synchronous motor drives
Authors: Han Pengcheng , Lou Ying , Wu Chao , Zeng Li , Wang Huimin 
Published: July 2024

AbstractIn view of the cost and reliability issues caused by mechanical position sensors, position sensorless control (PSC) of permanent magnet synchronous motors (PMSMs) has received widespread attention. A series of rotor position estimation (RPE) schemes have been developed, in which the phase‐locked loop (PLL) plays an important role. However, the conventional phase‐locked loops face two thorny issues, one is the degradation of RPE performance under motor acceleration and deceleration conditions, and the other is high noise sensitivity. To this end, an adaptive gain PLL (AG‐PLL) is proposed for PSC of PMSM drives. The gains of the loop filter in the proposed AG‐PLL are adaptively adjusted with the estimation error in order to find a compromise between the estimation performance under motor acceleration and deceleration conditions and the noise sensitivity. Moreover, the proposed scheme avoids increasing the order of the PLL, so its dynamic performance is also guaranteed. The proposed scheme is tested based on the hardware‐in‐the‐loop platform.
Operative Treatment of an Isolated, Comminuted, Biarticular Trapezium Fracture: A Case Report and Review of the Literature
Authors: Eiras Sandie , Bolgouras Gregorios , Panayiotou Christos , Alexandrou Zacharias , Papakostidis Costas 
Published: July 2024

Abstract
Background Isolated, highly comminuted trapezium fractures are extremely rare. While they can be initially diagnosed with plain radiographs, a computed tomography scan of the wrist will more clearly reveal the fracture details and aid in appropriate preoperative planning. Restoration of the fracture with a congruent reduction of the adjacent joints is mandatory for a favorable prognosis.
Case Description A case of a highly comminuted, biarticular, trapezium fracture in a young male patient that was treated operatively with open reduction and internal fixation (ORIF) with a cannulated miniscrew and an additional Kirschner wire (K-wire) is presented. Restoration of a decent intra-articular congruity of the trapezium with both the base of the first metacarpal distally and the scaphoid bone proximally ensured a favorable outcome.
Literature Review Various operative techniques are presented in current literature, encompassing ORIF with screws and K-wires, closed reduction and percutaneous fixation with K-wires, mini-external fixation, button fixation, and arthroscopically assisted percutaneous fixation. A favorable prognosis is documented in cases where a congruous reduction of the fracture was achieved and maintained throughout the healing period.
Clinical Relevance We feel that a formal ORIF is the procedure of choice for highly comminuted trapezium fractures, as they are not easily amenable to accurate reduction by means of closed methods.