bluuebunny/crossref_metadata_2025_split huggingface dataset:
Attentional dynamics of evidence accumulation explain why more numerate people make better decisions under risk
Authors: Zilker Veronika 
Published: August 2024

AbstractIn decisions under risk, more numerate people are typically more likely to choose the option with the highest expected value (EV) than less numerate ones. Prior research indicates that this finding cannot be explained by differences in the reliance on explicit EV calculation. The current work uses the attentional Drift Diffusion Model as a unified computational framework to formalize three candidate mechanisms of pre-decisional information search and processing—namely, attention allocation, amount of deliberation, and distorted processing of value—which may differ between more and less numerate people and explain differences in decision quality. Computational modeling of an eye-tracking experiment on risky choice demonstrates that numeracy is linked to how people allocate their attention across the options, how much evidence they require before committing to a choice, and also how strongly they distort currently non-attended information during preference formation. Together, especially the latter two mechanisms largely mediate the effect of numeracy on decision quality. Overall, the current work disentangles and quantifies latent aspects of the dynamics of preference formation, explicates how their interplay may give rise to manifest differences in decision quality, and thereby provides a fully formalized, mechanistic explanation for the link between numeracy and decision quality in risky choice.
Correlating physico-chemical properties of analytes with Hansen solubility parameters of solvents using machine learning algorithm for predicting suitable extraction solvent
Authors: Mostafa Eman A. , Azim Mohammad Abdul , ElZaher Asmaa A. , ElKady Ehab F. , Fouad Marwa A. , Ghazy Fatma H. , Radi Esraa A. , El Makarim Saleh Mahmoud Abo , El Kerdawy Ahmed M. 
Published: August 2024

AbstractArtificial neural networks (ANNs) are biologically inspired algorithms designed to simulate the way in which the human brain processes information. In sample preparation for bioanalysis, liquid–liquid extraction (LLE) represents an important step with the extraction solvent selection is the key laborious step. In the current work, a robust and reliable ANNs model for LLE solvent prediction was generated which could predict the suitable solvent for analyte extraction. The developed ANNs model takes a set of chosen descriptors for the cited analyte as an input and predicts the corresponding Hansen solubility parameters of the suitable extraction solvent as a model output. Then, from the solvent combination’s appendix, the analyst can identify the proposed extraction solvents' combination for the cited analyte easily and efficiently. For the experimental validation of the model prediction capabilities, twenty structurally diverse drugs belonging to different pharmacological classes were extracted from human plasma. The extraction process was performed using the predicted extraction solvent combination for each drug and quantitively estimated by HPLC/UV methods to assess their extraction recovery. The developed LLE solvent prediction model is in- line with the global trend towards green chemistry since it limits the consumption of organic solvents.
Contextualizing wild cereal harvesting at Middle Palaeolithic Ghar-e Boof in the southern Zagros
Authors: Riehl Simone , Karakaya Doğa , Zeidi Mohsen , Conard Nicholas J. 
Published: August 2024

AbstractA stratigraphic sequence from Ghar-e Boof, a cave site in Iran, covering a period of c. 80,000–30,000 BP and containing more than 20,000 seed and chaff remains, allows a detailed study of the use of annual seed species of Palaeolithic hunter-gatherer groups and its evolution under the influence of changing environmental conditions. Taxonomic changes in the archaeobotanical assemblage and the stable carbon isotope data of pistachio support a considerable change in environmental conditions over the sequence from MIS 5a to MIS 3. The exceptional dominance of wild ancestors of modern crop species, including glume wheat and large-seeded legumes from Middle Palaeolithic layers AH VI (OSL ranges 72–81 ka BP), coincides broadly with the transition from MIS 5a to MIS 4. With the beginning of MIS 4 these taxa are strongly reduced, corresponding with a strong decrease in global CO2 concentrations and in the Δ13C values of Pistacia khinjuk/atlantica from the site. Wild glume wheat completely disappears after Middle Palaeolithic AH Vb and never reappears at the site. We hypothesize that the Middle Palaeolithic niche that allowed the harvesting and consumption of wild cereals and legumes ended with a destabilization of the vegetation in early MIS 4.
Insights into hydro thermal gasification process of microplastic polyethylene via reactive molecular dynamics simulations
Authors: Ha Do Tuong , Tong Hien Duy , Trinh Thuat T. 
Published: August 2024

AbstractMicroplastics have become a pressing environmental issue due to their widespread presence in our ecosystems. Among various plastic components, polyethylene (PE) is a prevalent and persistent contaminant. Hydrothermal gasification (HTG), a promising technology for converting PE into syngas, holds great promise for mitigating the microplastic problem. In this study, we employ ReaxFF molecular dynamics simulations to investigate the HTG process of PE, shedding light on the intricate relationships between temperature, water content, carbon conversion efficiency, and product distributions. The results reveal that hydrothermal gasification of PE is a complex process involving multiple reaction pathways. Consistently with experimental findings, the calculations indicate that the gas phase exhibits a substantial hydrogen fraction, reaching up to 70%. Interestingly, our simulations reveal a dual role of water content in the HTG process. On one hand, water enhances hydrogen production by promoting the gas formation. On the other hand, it elevates the activation energy required for PE decomposition. Depending on the water content, the calculated activation energies range from 176 to 268 kJ/mol, which are significantly lower than those reported for thermal gasification (TG). This suggests that HTG may be a more efficient route for PE conversion. Furthermore, this study highlights the importance of optimizing both temperature and water content in HTG systems to achieve high yields of hydrogen-rich syngas. The results obtained from our ReaxFF MD simulations demonstrate the robustness of this computational methodology in elucidating complex chemical reactions under extreme conditions. Our findings offer critical insights into the design of advanced waste management strategies for microplastics and contribute to the development of sustainable practices for resource recovery. This work underscores the potential of HTG as a key technology for addressing the global challenge of plastic pollution.
Integrated transcriptomics- and structure-based drug repositioning identifies drugs with proteasome inhibitor properties
Authors: Larsson Peter , De Rosa Maria Cristina , Righino Benedetta , Olsson Maxim , Florea Bogdan Iulius , Forssell-Aronsson Eva , Kovács Anikó , Karlsson Per , Helou Khalil , Parris Toshima Z. 
Published: August 2024

AbstractComputational pharmacogenomics can potentially identify new indications for already approved drugs and pinpoint compounds with similar mechanism-of-action. Here, we used an integrated drug repositioning approach based on transcriptomics data and structure-based virtual screening to identify compounds with gene signatures similar to three known proteasome inhibitors (PIs; bortezomib, MG-132, and MLN-2238). In vitro validation of candidate compounds was then performed to assess proteasomal proteolytic activity, accumulation of ubiquitinated proteins, cell viability, and drug-induced expression in A375 melanoma and MCF7 breast cancer cells. Using this approach, we identified six compounds with PI properties ((-)-kinetin-riboside, manumycin-A, puromycin dihydrochloride, resistomycin, tegaserod maleate, and thapsigargin). Although the docking scores pinpointed their ability to bind to the β5 subunit, our in vitro study revealed that these compounds inhibited the β1, β2, and β5 catalytic sites to some extent. As shown with bortezomib, only manumycin-A, puromycin dihydrochloride, and tegaserod maleate resulted in excessive accumulation of ubiquitinated proteins and elevated HMOX1 expression. Taken together, our integrated drug repositioning approach and subsequent in vitro validation studies identified six compounds demonstrating properties similar to proteasome inhibitors.
Label free tracking to quantify nanoparticle diffusion through biological media
Authors: Schleyer Genevieve , Patterson Eann A. , Curran Judith M. 
Published: August 2024

AbstractNanotechnology is a rapidly evolving field and has been extensively studied in biological applications. An understanding of the factors that influence nanoparticle diffusion in biofluids can aid in the development of diverse technologies. The development of real-time, label-free tracking technologies would allow the expansion of current knowledge of the diffusion and activity of nanoparticles. Fluorescence-based microscopy is one of the most widespread tools to monitor and track nanoparticle dynamics; however, the influence of fluorescent tags on diffusion and biological activity is still unclear. In this study, we experimentally determined the diffusion coefficient of gold nanoparticles using a label-free, optical tracking technique and evaluated the influence of protein concentration, charge and diameter on nanoparticle diffusion through biological media. We dispersed positively- and negatively-charged nanoparticles with diameters varying from 10 to 100 nm in a common cell culture media with different concentrations of serum proteins. Our results show that dynamic protein interactions influence nanoparticle diffusion in the range of serum concentrations tested. Experimental regimes to obtain quantitative information on the factors that influence the dynamics of nanoparticles in biological media have been developed.
Visual background information modulates motor contagions in humans
Authors: Saito Hiroto , Fukuchi Kentaro , Inami Masahiko , Ganesh Gowrishankar 
Published: August 2024

AbstractMotor contagions refer to implicit effects induced by the observation of actions made by others on one’s own actions. A plethora of studies conducted over the last two decades have demonstrated that both observed and predicted actions can induce various kinds of motor contagions in a human observer. However, motor contagions have always been investigated with regard to different features of an observed action, and it remains unclear whether the background environment in which an observed action takes place modulates motor contagions as well. Here, we investigated participant movements in an empirical hand steering task during which the participants were required to move a cursor through a visual channel after being presented with videos of an actor performing the same task. We manipulated the congruency between the actions shown in the video and the background channels and examined whether and how they affected the participants’ own movements. We observed a clear interaction between the observed action and its background. The movement time of the participants’ actions tended to increase or decrease depending on whether they observed a faster or slower movement, respectively, and these changes were amplified if the background was not congruent with the action contained within it. These results suggest that background information can modulate motor contagions in humans.
Proton pump inhibitors may increase the risk of cisplatin-induced acute kidney injury in patients with nasopharyngeal carcinoma: a prospective cohort study
Authors: Luo Haiqing , Yi Guihua , Tang Haifeng , Chen Lingli , Hu Liren , Yang Donghong , Chen Zihong , Li Haiwen , Zhan Dechao , Yu Ying , Zeng Ying , Cai Yilin , Wu Jiayuan , Liu Huafeng 
Published: August 2024

AbstractCisplatin is the most commonly used platinum-based treatment for nasopharyngeal carcinoma (NPC). However, its clinical application is limited owing to its nephrotoxicity and gastrointestinal reactions. Proton pump inhibitors (PPIs) have been reported to increase nephrotoxicity risk in previous studies. We aimed to evaluate whether PPIs increase cisplatin-induced nephrotoxicity in patients with NPC. In total, 295 patients were included in this prospective cohort study: 145 in the PPIs group and 150 in the non-PPIs group. All patients underwent cisplatin-based induction chemotherapy, followed by cisplatin-based concurrent chemoradiotherapy. The PPIs group received 40 mg of intravenous esomeprazole sodium for 7 days in each chemotherapy cycle. Chi-squared test and logistic regression analyses with odds ratios and 95% confidence intervals were applied to assess the association between PPIs and the risk of acute kidney injury (AKI). AKI incidence in the PPIs group was significantly higher than that in the non-PPIs group (P = 0.005). After adjusting for various confounders including demographic features, clinical features, and renal function indices, PPIs use was significantly associated with a higher AKI risk (odds ratio: 2.775; 95% confidence interval 1.280–6.020; P = 0.010). The incidences of acute and chronic kidney diseases were similar between both groups (P > 0.05), whereas the incidence of nausea was lower in the PPIs group than in the non-PPIs group (P = 0.029). This study has shown that PPIs use may increase the risk of cisplatin-induced acute nephrotoxicity in patients with NPC.
Towards clinical application of freehand optical ultrasound imaging
Authors: Watt Fraser T. , Mackle Eleanor C. , Zhang Edward Z. , Beard Paul C. , Alles Erwin J. 
Published: August 2024

AbstractFreehand optical ultrasound (OpUS) imaging is an emerging ultrasound imaging paradigm that uses an array of fibre-optic, photoacoustic ultrasound sources and a single fibre-optic ultrasound detector to perform ultrasound imaging without the need for electrical components in the probe head. Previous freehand OpUS devices have demonstrated capability for real-time, video-rate imaging of clinically relevant targets, but have been hampered by poor ultrasound penetration, significant imaging artefacts and low frame rates, and their designs limited their clinical applicability. In this work we present a novel freehand OpUS imaging platform, including a fully mobile and compact acquisition console and an improved probe design. The novel freehand OpUS probe presented utilises optical waveguides to shape the generated ultrasound fields for improved ultrasound penetration depths, an extended fibre-optic bundle to improve system versatility and an overall ruggedised design with protective elements to improve probe handling and protect the internal optical components. This probe is demonstrated with phantoms and the first multi-participant in vivo imaging study conducted with freehand OpUS imaging probes, this represents several significant steps towards the clinical translation of freehand OpUS imaging.
Effects of biodegradation of starch-nanocellulose films incorporated with black tea extract on soil quality
Authors: Malekzadeh Elham , Tatari Aliasghar , Dehghani Firouzabadi Mohammadreza 
Published: August 2024

AbstractThis study aimed to investigate the biodegradation behaviour of starch/nanocellulose/black tea extract (SNBTE) films in a 30-day soil burial test. The SNBTE films were prepared by mixing commercial starch, nanocellulose (2, 4, and 6%), and an aqueous solution of black tea extract by a simple mixing and casting process. The chemical and morphological properties of the SNBTE films before and after biodegradation were characterized using the following analytical techniques such as field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), and fourier transform infrared (FTIR). The changes in soil composition, namely pH, electrical conductivity (EC), moisture content, water holding capacity (WHC), soil respiration, total nitrogen, weight mean diameter (MDW), and geometric mean diameter (GMD), as a result of the biodegradation process, were also estimated. The results showed that the films exhibited considerable biodegradability (35–67%) within 30 days while increasing soil nutrients. The addition of black tea extract reduced the biodegradation rate due to its polyphenol content, which likely resulted in a reduction in microbial activity. The addition of nanocellulose (2–6% weight of starch) increased the tensile strength, but decreased the elongation at break of the films. These results suggest that starch nanocellulose and SNBTE films are not only biodegradable under soil conditions but also positively contribute to soil health, highlighting their potential as an environmentally friendly alternative to traditional plastic films in the packaging industry.
Distinct conformational states enable transglutaminase 2 to promote cancer cell survival versus cell death
Authors: Aplin Cody , Zielinski Kara A. , Pabit Suzette , Ogunribido Deborah , Katt William P. , Pollack Lois , Cerione Richard A. , Milano Shawn K. 
Published: August 2024

AbstractTransglutaminase 2 (TG2) is a GTP-binding, protein-crosslinking enzyme that has been investigated as a therapeutic target for Celiac disease, neurological disorders, and aggressive cancers. TG2 has been suggested to adopt two conformational states that regulate its functions: a GTP-bound, closed conformation, and a calcium-bound, crosslinking-active open conformation. TG2 mutants that constitutively adopt an open conformation are cytotoxic to cancer cells. Thus, small molecules that bind and stabilize the open conformation of TG2 could offer a new therapeutic strategy. Here, we investigate TG2, using static and time-resolved small-angle X-ray scattering (SAXS) and single-particle cryoelectron microscopy (cryo-EM), to determine the conformational states responsible for conferring its biological effects. We also describe a newly developed TG2 inhibitor, LM11, that potently kills glioblastoma cells and use SAXS to investigate how LM11 affects the conformational states of TG2. Using SAXS and cryo-EM, we show that guanine nucleotides bind and stabilize a monomeric closed conformation while calcium binds to an open state that can form higher order oligomers. SAXS analysis suggests how a TG2 mutant that constitutively adopts the open state binds nucleotides through an alternative mechanism to wildtype TG2. Furthermore, we use time resolved SAXS to show that LM11 increases the ability of calcium to bind and stabilize an open conformation, which is not reversible by guanine nucleotides and is cytotoxic to cancer cells. Taken together, our findings demonstrate that the conformational dynamics of TG2 are more complex than previously suggested and highlight how conformational stabilization of TG2 by LM11 maintains TG2 in a cytotoxic conformational state.
Cyanine dyes in the mitochondria-targeting photodynamic and photothermal therapy
Authors: Kejík Zdeněk , Hajduch Jan , Abramenko Nikita , Vellieux Frédéric , Veselá Kateřina , Fialová Jindřiška Leischner , Petrláková Kateřina , Kučnirová Kateřina , Kaplánek Robert , Tatar Ameneh , Skaličková Markéta , Masařík Michal , Babula Petr , Dytrych Petr , Hoskovec David , Martásek Pavel , Jakubek Milan 
Published: August 2024

AbstractMitochondrial dysregulation plays a significant role in the carcinogenesis. On the other hand, its destabilization strongly represses the viability and metastatic potential of cancer cells. Photodynamic and photothermal therapies (PDT and PTT) target mitochondria effectively, providing innovative and non-invasive anticancer therapeutic modalities. Cyanine dyes, with strong mitochondrial selectivity, show significant potential in enhancing PDT and PTT. The potential and limitations of cyanine dyes for mitochondrial PDT and PTT are discussed, along with their applications in combination therapies, theranostic techniques, and optimal delivery systems. Additionally, novel approaches for sonodynamic therapy using photoactive cyanine dyes are presented, highlighting advances in cancer treatment.
The impact of VEGF signalling pathway inhibitors and/or immune checkpoint inhibitors on kidney function over time: a single centre retrospective analysis
Authors: Elyan Benjamin M. P. , Sullivan Michael K. , Hedley James , De La Mata Nicole , Webster Angela C. , Venugopal Balaji , Jones Rob J. , Lang Ninian N. , Mark Patrick B. , Lees Jennifer S. 
Published: August 2024

Abstract
Background
Drugs targeting angiogenesis and immunotherapy have transformed outcomes in renal cancer but may contribute to progressive kidney disease.

Methods
We linked healthcare databases in the West of Scotland (spanning 2010–2020) to identify adults with renal cancer who received one or both classes of drugs. Over two years following initiation, estimated glomerular filtration rate (eGFR) slope was modelled using linear mixed-effects models. Additional renal outcomes used competing risk regression considering the competing risk of death.

Results
Amongst 357 adults (62.5% male; median age 63.0 years, IQI 55.0–71.0), there was no significant change in eGFR (annual eGFR change +1.03 mL/min/1.73 m²/year, 95%CI −1.64 to +3.70), nor in subgroups of patients who had nephrectomy, metastatic cancer or an eGFR < 60 mL/min/1.73 m² prior to systemic therapy. A ≥ 40% decline in eGFR occurred in 82 people (23.0%) within one year of starting systemic therapy and was associated with pre-existing diabetes (subhazard ratio 1.89, 95%CI 1.05–3.41).

Discussion
Anti-angiogenic and immune therapy had no substantial impact on the average change in eGFR but people with diabetes are at higher risk of clinically significant renal events. With appropriate monitoring, more widespread use of these agents in patients with renal impairment may be warranted.