bluuebunny/crossref_metadata_2025 huggingface dataset:
Age-Related Changes in Serum N-Glycome in Men and Women—Clusters Associated with Comorbidity
Authors: Lado-Baleato Óscar , Torre Jorge , O’Flaherty Róisín , Alonso-Sampedro Manuela , Carballo Iago , Fernández-Merino Carmen , Vidal Carmen , Gude Francisco , Saldova Radka , González-Quintela Arturo
Published: December 2023

(1) Aim: To describe, in a general adult population, the serum N-glycome in relation to age in men and women, and investigate the association of N-glycome patterns with age-related comorbidity; (2) Methods: The serum N-glycome was studied by hydrophilic interaction chromatography with ultra-performance liquid chromatography in 1516 randomly selected adults (55.3% women; age range 18–91 years). Covariates included lifestyle factors, metabolic disorders, inflammatory markers, and an index of comorbidity. Principal component analysis was used to define clusters of individuals based on the 46 glycan peaks obtained in chromatograms; (3) Results: The serum N-glycome changed with ageing, with significant differences between men and women, both in individual N-glycan peaks and in groups defined by common features (branching, galactosylation, sialylation, fucosylation, and oligomannose). Through K-means clustering algorithm, the individuals were grouped into a cluster characterized by abundance of simpler N-glycans and a cluster characterized by abundance of higher-order N-glycans. The individuals of the first cluster were older, showed higher concentrations of glucose and glycation markers, higher levels of some inflammatory markers, lower glomerular filtration rate, and greater comorbidity index; (4) Conclusions: The serum N-glycome changes with ageing with sex dimorphism. The N-glycome could be, in line with the inflammaging hypothesis, a marker of unhealthy aging.
Prediction of Hemodynamic-Related Hemolysis in Carotid Stenosis and Aiding in Treatment Planning and Risk Stratification Using Computational Fluid Dynamics
Authors: Jędrzejczak Krystian , Orciuch Wojciech , Wojtas Krzysztof , Kozłowski Michał , Piasecki Piotr , Narloch Jerzy , Wierzbicki Marek , Makowski Łukasz
Published: December 2023

Atherosclerosis affects human health in many ways, leading to disability or premature death due to ischemic heart disease, stroke, or limb ischemia. Poststenotic blood flow disruption may also play an essential role in artery wall impairment linked with hemolysis related to shear stress. The maximum shear stress in the atherosclerotic plaque area is the main parameter determining hemolysis risk. In our work, a 3D internal carotid artery model was built from CT scans performed on patients qualified for percutaneous angioplasty due to its symptomatic stenosis. The obtained stenosis geometries were used to conduct a series of computer simulations to identify critical parameters corresponding to the increase in shear stress in the arteries. Stenosis shape parameters responsible for the increase in shear stress were determined. The effect of changes in the carotid artery size, length, and degree of narrowing on the change in maximum shear stress was demonstrated. Then, a correlation for the quick initial diagnosis of atherosclerotic stenoses regarding the risk of hemolysis was developed. The developed relationship for rapid hemolysis risk assessment uses information from typical non-invasive tests for treated patients. Practical guidelines have been developed regarding which stenosis shape parameters pose a risk of hemolysis, which may be adapted in medical practice.
The Role of Innovation Technology in the Rehabilitation of Patients Affected by Huntington’s Disease: A Scoping Review
Authors: Maggio Maria Grazia , Billeri Luana , Cardile Davide , Quartarone Angelo , Calabrò Rocco Salvatore
Published: December 2023

Huntington’s disease is an autosomal dominant neurodegenerative disease caused by the repetition of cytosine, adenine, and guanine trinucleotides on the short arm of chromosome 4p16.3 within the Huntingtin gene. In this study, we aim to examine and map the existing evidence on the use of innovations in the rehabilitation of Huntington’s disease. A scoping review was conducted on innovative rehabilitative treatments performed on patients with Huntington’s disease. A search was performed on PubMed, Embase, Web of Science, and Cochrane databases to screen references of included studies and review articles for additional citations. Of an initial 1117 articles, only 20 met the search criteria. These findings showed that available evidence is still limited and that studies generally had small sample sizes and a high risk of bias. Regarding cognitive rehabilitation, it has emerged that VR- and PC-based methods as well as NIBS techniques are feasible and may have promising effects in individuals with Huntington’s disease. On the other hand, scarce evidence was found for cognitive and motor training that might have a slight impact on overall cognitive function in individuals with Huntington’s disease. Data show that further investigation is needed to explore the effects of innovative rehabilitation tools on cognition, especially considering that cognitive and psychiatric symptoms can precede the onset of motor symptoms by many years.
Autocrine IGF-II-Associated Cancers: From a Rare Paraneoplastic Event to a Hallmark in Malignancy
Authors: Scalia Pierluigi , Marino Ignazio R. , Asero Salvatore , Pandini Giuseppe , Grimberg Adda , El-Deiry Wafik S. , Williams Stephen J.
Published: December 2023

The paraneoplastic syndrome referred in the literature as non-islet-cell tumor hypoglycemia (NICTH) and extra-pancreatic tumor hypoglycemia (EPTH) was first reported almost a century ago, and the role of cancer-secreted IGF-II in causing this blood glucose-lowering condition has been widely established. The landscape emerging in the last few decades, based on molecular and cellular findings, supports a broader role for IGF-II in cancer biology beyond its involvement in the paraneoplastic syndrome. In particular, a few key findings are constantly observed during tumorigenesis, (a) a relative and absolute increase in fetal insulin receptor isoform (IRA) content, with (b) an increase in IGF-II high-molecular weight cancer-variants (big-IGF-II), and (c) a stage-progressive increase in the IGF-II autocrine signal in the cancer cell, mostly during the transition from benign to malignant growth. An increasing and still under-exploited combinatorial pattern of the IGF-II signal in cancer is shaping up in the literature with respect to its transducing receptorial system and effector intracellular network. Interestingly, while surgical and clinical reports have traditionally restricted IGF-II secretion to a small number of solid malignancies displaying paraneoplastic hypoglycemia, a retrospective literature analysis, along with publicly available expression data from patient-derived cancer cell lines conveyed in the present perspective, clearly suggests that IGF-II expression in cancer is a much more common event, especially in overt malignancy. These findings strengthen the view that (1) IGF-II expression/secretion in solid tumor-derived cancer cell lines and tissues is a broader and more common event compared to the reported IGF-II association to paraneoplastic hypoglycemia, and (2) IGF-II associates to the commonly observed autocrine loops in cancer cells while IGF-I cancer-promoting effects may be linked to its paracrine effects in the tumor microenvironment. Based on these evidence-centered considerations, making the autocrine IGF-II loop a hallmark for malignant cancer growth, we here propose the functional name of IGF-II secreting tumors (IGF-IIsT) to overcome the view that IGF-II secretion and pro-tumorigenic actions affect only a clinical sub-group of rare tumors with associated hypoglycemic symptoms. The proposed scenario provides an updated logical frame towards biologically sound therapeutic strategies and personalized therapeutic interventions for currently unaccounted IGF-II-producing cancers.
Supporting the Demand on Mental Health Services with AI-Based Conversational Large Language Models (LLMs)
Authors: Lai Tin , Shi Yukun , Du Zicong , Wu Jiajie , Fu Ken , Dou Yichao , Wang Ziqi
Published: December 2023

The demand for psychological counselling has grown significantly in recent years, particularly with the global outbreak of COVID-19, which heightened the need for timely and professional mental health support. Online psychological counselling emerged as the predominant mode of providing services in response to this demand. In this study, we propose the Psy-LLM framework, an AI-based assistive tool leveraging large language models (LLMs) for question answering in psychological consultation settings to ease the demand on mental health professions. Our framework combines pre-trained LLMs with real-world professional questions-and-answers (Q&A) from psychologists and extensively crawled psychological articles. The Psy-LLM framework serves as a front-end tool for healthcare professionals, allowing them to provide immediate responses and mindfulness activities to alleviate patient stress. Additionally, it functions as a screening tool to identify urgent cases requiring further assistance. We evaluated the framework using intrinsic metrics, such as perplexity, and extrinsic evaluation metrics, including human participant assessments of response helpfulness, fluency, relevance, and logic. The results demonstrate the effectiveness of the Psy-LLM framework in generating coherent and relevant answers to psychological questions. This article discusses the potential and limitations of using large language models to enhance mental health support through AI technologies.
Faradaic Impedimetric Immunosensor for Label-Free Point-of-Care Detection of COVID-19 Antibodies Using Gold-Interdigitated Electrode Array
Authors: Shoute Lian C. T. , Charlton Carmen L. , Kanji Jamil N. , Babiuk Shawn , Babiuk Lorne , Chen Jie
Published: December 2023

Label-free electrochemical biosensors have many desirable characteristics in terms of miniaturization, scalability, digitization, and other attributes associated with point-of-care (POC) applications. In the era of COVID-19 and pandemic preparedness, further development of such biosensors will be immensely beneficial for rapid testing and disease management. Label-free electrochemical biosensors often employ [Fe(CN)6]−3/4 redox probes to detect low-concentration target analytes as they dramatically enhance sensitivity. However, such Faradaic-based sensors are reported to experience baseline signal drift, which compromises the performance of these devices. Here, we describe the use of a mecaptohexanoic (MHA) self-assembled monolayer (SAM) modified Au-interdigitated electrode arrays (IDA) to investigate the origin of the baseline signal drift, developed a protocol to resolve the issue, and presented insights into the underlying mechanism on the working of label-free electrochemical biosensors. Using this protocol, we demonstrate the application of MHA SAM-modified Au-IDA for POC analysis of human serum samples. We describe the use of a label-free electrochemical biosensor based on covalently conjugated SARS-CoV-2 spike protein for POC detection of COVID-19 antibodies. The test requires a short incubation time (10 min), and has a sensitivity of 35.4/decade (35.4%/10 ng mL−1) and LOD of 21 ng/mL. Negligible cross reactivity to seasonal human coronavirus or other endogenous antibodies was observed. Our studies also show that Faradaic biosensors are ~17 times more sensitive than non-Faradaic biosensors. We believe the work presented here contributes to the fundamental understanding of the underlying mechanisms of baseline signal drift and will be applicable to future development of electrochemical biosensors for POC applications.
Enhancing Energy Efficiency in Buildings through PCM Integration: A Study across Different Climatic Regions
Authors: Jaradat Mustafa , Al Majali Hazaa , Bendea Codruta , Bungau Constantin C. , Bungau Tudor
Published: December 2023

In the quest for sustainable and energy-efficient building solutions, the incorporation of phase change materials (PCMs) into building envelopes emerges as a groundbreaking strategy. PCMs, renowned for storing and releasing thermal energy during phase transitions, stand as a promising avenue to curtail energy consumption while enhancing thermal performance. This study rigorously explores the potential energy savings and thermal comfort benefits achievable through PCM integration into building envelopes. Multiple energy simulations are conducted on a residential building model in diverse locations, including Irbid, Amman, and Aqaba in Jordan, and the city of Oradea in Romania, utilizing the EnergyPlus simulation tool embedded in DesignBuilder software v7.0.2.006. The results reveal that BioPCM®, derived from renewable biomass, significantly elevates thermal performance owing to its heightened latent heat of fusion. Optimal outcomes materialize with a PCM melting point of 23 °C, a configuration closer to the interior surface, and a thickness of 37.1 mm. The study underscores the superior performance in moderate climates (Irbid and Amman) compared to hot-dry climates (Aqaba) and cold-wet climates (Oradea, Romania). Financially and environmentally, incorporating PCM in Amman demonstrates potential annual energy savings of 5476.14 kWh, translating to a cost reduction of 1150 USD/year, and a decrease in GHG emissions by 2382.31 kgCO2eq. The estimated payback period for PCM incorporation in external walls is four years, robustly emphasizing the feasibility and multifaceted benefits of this energy-efficient solution.
Effect of Citric Acid-Modified Chitosan on Hydration Regulation and Mechanism of Composite Cementitious Material System
Authors: Wang Liguo , Qin Zhibin , Wu Jiandong , Sheng Guangxia , Wang Han , Liu Kai , Dong Xiaobin , Wang Fengjuan , Jiang Jinyang
Published: December 2023

The temperature stress caused by the large temperature difference is the main factor causing harmful cracks in large-volume concrete. The introduction of admixtures is beneficial to reduce the temperature difference inside and outside the large-volume concrete. This study investigated the mechanism of how citric acid-modified chitosan (CAMC) affects the hydration heat release process and hydration products of composite cementitious materials. Through methods such as hydration heat, X-ray diffraction (XRD), mercury intrusion porosimetry (MIP), scanning electron microscopy (SEM), and nuclear magnetic resonance (NMR), the mechanism of how CAMC controls the hydration heat release process and hydration products of composite cementitious materials was revealed. The results show that the addition of CAMC delayed the hydration process of cementitious materials without affecting the type of hydration products but affected the content of each phase of hydration products. As the hydration process proceeded, the total porosity of all samples decreased, the volume of large pores decreased, and the volume of small pores increased. As the content of CAMC increased, the pore diameter of the hardened paste gradually became smaller, the proportion of large pores decreased, and the later hydration microstructure became more dense. The increase in CAMC dosage resulted in a decrease in the peak intensity of Q2 in the paste, indicating that Al atoms in Q2 (1Al) existed in the form of Alcoordination, which proves that CAMC reduced its hydration degree and delayed cement hydration.
Integrating AI and ML in Myelodysplastic Syndrome Diagnosis: State-of-the-Art and Future Prospects
Authors: Elshoeibi Amgad Mohamed , Badr Ahmed , Elsayed Basel , Metwally Omar , Elshoeibi Raghad , Elhadary Mohamed Ragab , Elshoeibi Ahmed , Attya Mohamed Amro , Khadadah Fatima , Alshurafa Awni , Alhuraiji Ahmad , Yassin Mohamed
Published: December 2023

Myelodysplastic syndrome (MDS) is composed of diverse hematological malignancies caused by dysfunctional stem cells, leading to abnormal hematopoiesis and cytopenia. Approximately 30% of MDS cases progress to acute myeloid leukemia (AML), a more aggressive disease. Early detection is crucial to intervene before MDS progresses to AML. The current diagnostic process for MDS involves analyzing peripheral blood smear (PBS), bone marrow sample (BMS), and flow cytometry (FC) data, along with clinical patient information, which is labor-intensive and time-consuming. Recent advancements in machine learning offer an opportunity for faster, automated, and accurate diagnosis of MDS. In this review, we aim to provide an overview of the current applications of AI in the diagnosis of MDS and highlight their advantages, disadvantages, and performance metrics.
A New Hypothesis Describing the Pathogenesis of Oral Mucosal Injury Associated with the Mammalian Target of Rapamycin (mTOR) Inhibitors
Authors: Sonis Stephen T. , Villa Alessandro
Published: December 2023

It has been 24 years since rapamycin (sirolimus) was approved to mitigate solid organ transplant rejection and 16 years since mTOR (mammalian/mechanistic target of rapamycin) inhibitors reached patients as a cancer therapy. While the clinical benefits of mTOR inhibitors (mTORi) are robust, so too are their toxicities. Among the most common issues is the development of ulcers of the oral mucosa (mTOR-inhibitor associated stomatitis; mIAS). These lesions are distinct from those of other anti-cancer agents, occur with regularity, and impact patient outcomes. mIAS’ pathogenesis has been the subject of speculation, and its similar presentation to recurrent aphthous stomatitis (RAS) has led to the hypothesis that it might serve as a surrogate to better understand RAS. Based on a review of the literature, the current manuscript provides a hypothesis regarding the mechanisms by which mTORis uniquely initiate mucosal injury and an explanation for the observation that steroids (also an immunosuppressive) are effective in its treatment through a non-immunologic mechanism. Unexplained unique features of mIAS are discussed in this review in the context of future investigation.
Venetoclax: A Game Changer in the Treatment of Younger AML Patients?
Authors: Molica Matteo , Perrone Salvatore , Federico Vincenzo , Alati Caterina , Molica Stefano , Rossi Marco
Published: December 2023

The combination approach based on venetoclax (VEN) with azacytidine (AZA) has significantly improved outcomes for elderly patients with acute myeloid leukemia (AML). This innovative approach has led to higher rates of overall response, measurable residual disease (MRD)-negative remissions, and overall survival compared with AZA monotherapy. As a result, this combination has emerged as the gold-standard treatment for elderly or unfit patients with AML who are not eligible for intensive therapy. In younger, fit patients with AML, intensive induction and consolidation chemotherapy is commonly used as a first-line approach; however, relapse continues to be the main reason for treatment failure in approximately 30–40% of patients. Efforts to improve MRD-negative response rates and to facilitate the transition to allogeneic hematopoietic stem cell transplantation, particularly in high-risk AML, have inspired trials exploring the combination of intensive chemotherapy with targeted agents. VEN, a first-in-class anti-BCL2 agent, combined with intensive chemotherapy regimens has shown deep MRD-negative remissions, producing prolonged event-free survival and enhancing the transition to allogeneic transplant in first-complete-remission patients. These benefits support the incremental advantages of adding VEN to intensive chemotherapy approaches across ELN risk subcategories, and provides a robust benchmark to design future trials. In this review, we will discuss current studies assessing the efficacy of frontline regimens integrating VEN into intensive chemotherapy in younger patients with AML and specific molecularly defined subgroups.
Association between Environmental Temperature and Survival in Gastroesophageal Cancers: A Population Based Study
Authors: Gupta Kush , George Anthony , Attwood Kristopher , Gupta Ashish , Roy Arya Mariam , Gandhi Shipra , Siromoni Beas , Singh Anurag , Repasky Elizabeth , Mukherjee Sarbajit
Published: December 2023

Background: Cold stress suppresses antitumor response in animal models, leading to tumor growth. Recent studies have also shown a negative correlation between the average annual temperature (AAT) and cancer incidence. We hypothesized that esophageal cancer (EC) and gastric cancer (GC) patients living in warmer climates have improved survival outcomes than those living in colder climates. Methods: We conducted a retrospective analysis using the Surveillance, Epidemiology, and End Results (SEER) database from 1996 to 2015. We retrieved the National Centers for Environmental Information data to calculate the county-level AAT. Cox multivariate regression models were performed to measure the association between temperature (measured continuously at diagnosis and in 5-degree increments) and OS/DSS, adjusting for variables. All associations were compared at a significance level of 0.05. The OS and DSS were summarized using Kaplan–Meier methods. All statistics were performed using SAS version 9.4 (SAS Institute Inc., Cary, NC, USA). Results: A total of 17,408 EC patients were analyzed. The average age of the cohort was 65 years, 79% of which were males and 21% were females. Of them, 61.6% had adenocarcinoma, and 37.6% were squamous. After adjusting for covariates, patients in regions with an AAT > 53.5 °F had an 11% improvement in OS [HR 0.89 (95% CI 0.86–0.92), p < 0.0001] and 13% in DSS [HR 0.87 (95% CI 0.84–0.90), p < 0.0001]. When the temperature was analyzed in 5 °F increments, with each increment, there was a 3% improvement in OS [HR 0.97 (95% CI 0.96–0.98), p < 0.0001] and 4% in DSS [HR 0.96 (95% CI 0.95–0.97), p < 0.0001]. Subgroup analysis of squamous and adenocarcinoma showed similar results. These findings were validated in 20,553 GC patients. After adjusting for covariates, patients in regions with an AAT > 53.5 had a 13% improvement in OS [HR 0.87 (95% CI 0.85–0.90), p < 0.0001] and 14% in DSS [HR 0.86 (95% CI 0.83–0.89), p < 0.0001]. When analyzed in 5 °F increments, with each increment, there was a 4% improvement in OS [HR 0.96 (95% CI 0.952–0.971), p < 0.0001] and 4% in DSS [HR 0.96 (95% CI 0.945–0.965), p < 0.0001]. Conclusion: We showed for the first time that higher environmental temperatures are associated with significant improvements in OS and DSS in patients with gastro-esophageal cancers, notwithstanding the limitations of a retrospective database analysis. Further confirmatory and mechanistic studies are required to implement specific interventional strategies.
Cellular Impacts of Striatins and the STRIPAK Complex and Their Roles in the Development and Metastasis in Clinical Cancers (Review)
Authors: Li Amber Xinyu , Martin Tracey A. , Lane Jane , Jiang Wen G.
Published: December 2023

Striatins (STRNs) are generally considered to be cytoplasmic proteins, with lower expression observed in the nucleus and at cell–cell contact regions. Together with protein phosphatase 2A (PP2A), STRNs form the core region of striatin-interacting phosphatase and kinase (STRIPAK) complexes through the coiled-coil region of STRN proteins, which is crucial for substrate recruitment. Over the past two decades, there has been an increasing amount of research into the biological and cellular functions of STRIPAK members. STRNs and the constituent members of the STRIPAK complex have been found to regulate several cellular functions, such as cell cycle control, cell growth, and motility. Dysregulation of these cellular events is associated with cancer development. Importantly, their roles in cancer cells and clinical cancers are becoming recognised, with several STRIPAK components found to have elevated expression in cancerous tissues compared to healthy tissues. These molecules exhibit significant diagnostic and prognostic value across different cancer types and in metastatic progression. The present review comprehensively summarises and discusses the current knowledge of STRNs and core STRIPAK members, in cancer malignancy, from both cellular and clinical perspectives.
Measurements of Dioxygen Formation in Catalytic Electrochemical Water Splitting
Authors: Tiwari Chandan Kumar , Geletii Yurii V.
Published: December 2023

Water oxidation is a multielectron complex reaction that produces molecular oxygen as the final product. The article addresses the lack of confirmation of oxygen product formation in electrochemical oxygen evolution reaction (OER) studies, despite the extensive research conducted on catalysts for water splitting. It critically evaluates the trend observed in many studies that solely rely on electrochemical methods for OER quantification without confirming the oxygen product via complementary analytical techniques. The omission of measuring evolved oxygen gas leaves a crucial gap in the quantification of the OER process and raises concerns about the validity and accuracy of reported results. Analytical techniques, such as gas chromatography, Rotating Ring-Disk Electrode (RRDE), fluorescence oxygen probes, Clark electrode, and volumetry are critically analyzed and described to ensure the reliability and credibility of voltammetry and bulk electrolysis to provide a more accurate assessment of the OER process.
Targeting the Ubiquitin–Proteasome System and Recent Advances in Cancer Therapy
Authors: Spano Daniela , Catara Giuliana
Published: December 2023

Ubiquitination is a reversible post-translational modification based on the chemical addition of ubiquitin to proteins with regulatory effects on various signaling pathways. Ubiquitination can alter the molecular functions of tagged substrates with respect to protein turnover, biological activity, subcellular localization or protein–protein interaction. As a result, a wide variety of cellular processes are under ubiquitination-mediated control, contributing to the maintenance of cellular homeostasis. It follows that the dysregulation of ubiquitination reactions plays a relevant role in the pathogenic states of human diseases such as neurodegenerative diseases, immune-related pathologies and cancer. In recent decades, the enzymes of the ubiquitin–proteasome system (UPS), including E3 ubiquitin ligases and deubiquitinases (DUBs), have attracted attention as novel druggable targets for the development of new anticancer therapeutic approaches. This perspective article summarizes the peculiarities shared by the enzymes involved in the ubiquitination reaction which, when deregulated, can lead to tumorigenesis. Accordingly, an overview of the main pharmacological interventions based on targeting the UPS that are in clinical use or still in clinical trials is provided, also highlighting the limitations of the therapeutic efficacy of these approaches. Therefore, various attempts to circumvent drug resistance and side effects as well as UPS-related emerging technologies in anticancer therapeutics are discussed.
Improving Foodborne Pathogen Control Using Green Nanosized Emulsions of Plectranthus hadiensis Phytochemicals
Authors: Vega-Hernández Lucía Carolina , Serrano-Niño Julio César , Velázquez-Carriles Carlos Arnulfo , Martínez-Preciado Alma H. , Cavazos-Garduño Adriana , Silva-Jara Jorge Manuel
Published: December 2023

Every year, millions of foodborne illnesses with thousands of deaths occur worldwide, which is why controlling foodborne pathogens is sought. In this study, nanoemulsions of phytochemicals extracted from Plectranthus hadiensis var. tomentosus (PHT) were obtained, and their antioxidant and antimicrobial capacities were evaluated. PHT extracts were obtained by maceration, ultrasound, and Naviglio methods, and their antimicrobial activity against Staphylococcus aureus, Listeria monocytogenes, Escherichia coli, and Salmonella enterica was determined by the microdilution method. The extract with the highest antimicrobial activity was obtained by Naviglio with a minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of 12.5 and 25 mg/mL, respectively, for all bacterial strains. The nanoemulsion (o/w) made with Tween 40, 5% extract, and 50% ultrasonic amplitude had a globule size of 4.4 nm, a polydispersity index of 0.48, and a surface charge of −0.08 mV and remained stable for 30 days. This nanosystem presented significantly higher antimicrobial and antioxidant activity than the free extract. Thus, the nanoencapsulation of the phytochemicals in the PHT extracts is an alternative to protect and enhance their biological activity against pathogenic microorganisms.
Twofold Machine-Learning and Molecular Dynamics: A Computational Framework
Authors: Stavrogiannis Christos , Sofos Filippos , Sagri Maria , Vavougios Denis , Karakasidis Theodoros E.
Published: December 2023

Data science and machine learning (ML) techniques are employed to shed light into the molecular mechanisms that affect fluid-transport properties at the nanoscale. Viscosity and thermal conductivity values of four basic monoatomic elements, namely, argon, krypton, nitrogen, and oxygen, are gathered from experimental and simulation data in the literature and constitute a primary database for further investigation. The data refers to a wide pressure–temperature (P-T) phase space, covering fluid states from gas to liquid and supercritical. The database is enriched with new simulation data extracted from our equilibrium molecular dynamics (MD) simulations. A machine learning (ML) framework with ensemble, classical, kernel-based, and stacked algorithmic techniques is also constructed to function in parallel with the MD model, trained by existing data and predicting the values of new phase space points. In terms of algorithmic performance, it is shown that the stacked and tree-based ML models have given the most accurate results for all elements and can be excellent choices for small to medium-sized datasets. In such a way, a twofold computational scheme is constructed, functioning as a computationally inexpensive route that achieves high accuracy, aiming to replace costly experiments and simulations, when feasible.
Titanium Dioxide Promotes the Growth and Aggregation of Calcium Phosphate and Monosodium Urate Mixed Crystals
Authors: Ukaeje Onyebuchi C. , Bandyopadhyay Bidhan C.
Published: December 2023

The increased utilization of titanium dioxide (TiO2) nanoparticles (TNPs) in various industrial and consumer products has raised concerns regarding its harmful effect due to its accumulation within the different systems of the human body. Here, we focused on the influence of TNPs on the growth and aggregation of two crucial crystalline substances, calcium phosphate (CaP) and monosodium urate (MSU), particularly its implications in gout disease. In this study, we adopted microscopic techniques and generated kinetic models to examine the interactions between TNPs, CaP and MSU, and crystallization, under controlled laboratory conditions. Our findings reveal that TNPs not only facilitate the growth of these crystals but also promote their co-aggregations. Crystal dissolution kinetics also exhibit that an increase in TNPs concentration corresponds to a reduction in the dissolution rate of CaP and MSU crystals in presence of the dissoluting agent hydroxycitrate (Hcit). These observations suggest that TNPs can stabilize CaP+MSU mixed crystals, which underscores the significance of TNPs’ exposure in the pathogenesis of gout disease.
A Subsurface Stepping Stone Hypothesis for the Conquest of Land by Arthropods
Authors: Frumkin Amos , Chipman Ariel D.
Published: December 2023

The conquest of land by arthropods is commonly believed to be a surface phenomenon associated with the arrival of photosynthetic plants, atmospheric oxygenation, and an ozone shield in the mid-Paleozoic Era. However, recent molecular and fossil evidence suggests terrestrial fauna may have first appeared in the Cambrian, before the proliferation of plants and ozone, which are thought to be essential for survival. This raises the question—how could arthropods survive on land without established plants and an ozone shield? We propose a hypothesis that chemolithoautotrophic cave ecosystems, independent of photosynthesis, may have served as a subsurface stepping stone, providing a possible explanation for the land invasion enigma. Chemolithoautrophic caves have offered abundant food and radiation protection, enabling ancient arthropods to evolve strategies to adapt to new frontiers through gradual dispersion from the sea to shielded cave waters, then to cave hygropetric margins of cave waters, and, finally, to the surface.
A New Species and Four New Recorded Species of Naididae (Annelida: Oligochaeta) from Korea
Authors: Lee Jeounghee , Lee Taekjun
Published: December 2023

This taxonomic study investigates marine tubificids, with a focus on the genera Smithsonidrilus, Heterodrilus, Limnodriloides, and Tubificoides and presenting a new species, Heterodrilus koreanus n. sp., discovered in the around Ulleungdo and Dokdo Islands in the East Sea of the Republic of Korea. The new species, Heterodrilus koreanus n. sp., is characterized by a very long and slender atrium with prostate glands attached to the ventral side, with indistinct ducts and large round ampullae in the spermathecae. The four recorded species are: H. pentcheffi Erséus, 1981, Limnodriloides anxius Erséus, 1990, Smithsonidrilus exspectatus Erséus, 1993, and Tubificoides heterochaetus Michaelsen, 1926. This study not only enhances our comprehension of the intricate morphology within these genera but also contributes to the broader understanding of marine oligochaetes, particularly in the Korean marine ecosystem.
Modulatory Effect of Croton heliotropiifolius Kunth Ethanolic Extract on Norfloxacin Resistance in Staphylococcus aureus
Authors: Brito Samara Barbosa de , Alcântara Felipe Araújo de Oliveira , Leal Antonio Linkoln Alves Borges , Veloso Kaliny Henri da Silva , Sousa Leonardo da Rocha , Oliveira Ana Paula de , Santos Alan Diego da Conceição , Dutra Lívia Macedo , Almeida Jackson Roberto Guedes da Silva , Nogueira Carlos Emídio Sampaio , Souza João Sammy Nery de , Cruz-Martins Natália , Arcanjo Daniel Dias Rufino , Barreto Humberto Medeiros
Published: December 2023

The high frequency of infectious diseases has spurred research into effective tactics to combat microorganisms that are resistant to several drugs. The overproduction of the transmembrane efflux pump protein NorA, which may export hydrophilic fluoroquinolones, is a common mechanism of resistance in S. aureus strains. This work evaluated the antimicrobial activity of the ethanolic extract from the leaves of Croton heliotropiifolius (EECH) against different bacterial and fungal strains, as well as investigating its modulating effect on the resistance to norfloxacin in a Staphylococcus aureus SA1199B overproducing the NorA efflux pump. Microdilution assays were used to assess the EECH’s antibacterial efficacy. The MIC of norfloxacin or ethidium bromide (EtBr) against the SA1199B strain was determined in the presence or absence of the EECH in order to assess the modifying influence on drug resistance. The EECH showed no activity against the Gram-positive and Gram-negative bacterial strains tested. The EECH also showed no antifungal activity against Candida albicans ATCC 10231. On the other hand, the extract reduced the MIC values for norfloxacin against SA1199B at subinhibitory concentrations. In addition, the EECH also reduced the MIC values of EtBr at subinhibitory concentrations, suggesting the occurrence of phytochemicals that inhibit efflux pumps. Molecular docking showed that retusin, a flavonoid found in the extract, could compete with norfloxacin at the orthosteric site of the NorA, indicating that it could be a potential efflux pump inhibitor. However, isolated retusin did not enhance the activity of norfloxacin or EtBr and it did not inhibit the EtBr efflux, showing that it is not a NorA inhibitor. Even though C. heliotropiifolius is a source of phytochemicals that function as adjuvants for norfloxacin, isolated retusin cannot be used in conjunction with norfloxacin to treat infections brought on by S. aureus that overproduces NorA.
Machine Learning Approach for Analyzing 3-Year Outcomes of Patients with Brain Arteriovenous Malformation (AVM) after Stereotactic Radiosurgery (SRS)
Authors: Rodríguez Mallma Mirko Jerber , Vilca-Aguilar Marcos , Zuloaga-Rotta Luis , Borja-Rosales Rubén , Salas-Ojeda María , Mauricio David
Published: December 2023

A cerebral arteriovenous malformation (AVM) is a tangle of abnormal blood vessels that irregularly connects arteries and veins. Stereotactic radiosurgery (SRS) has been shown to be an effective treatment for AVM patients, but the factors associated with AVM obliteration remains a matter of debate. In this study, we aimed to develop a model that can predict whether patients with AVM will be cured 36 months after intervention by means of SRS and identify the most important predictors that explain the probability of being cured. A machine learning (ML) approach was applied using decision tree (DT) and logistic regression (LR) techniques on historical data (sociodemographic, clinical, treatment, angioarchitecture, and radiosurgery procedure) of 202 patients with AVM who underwent SRS at the Instituto de Radiocirugía del Perú (IRP) between 2005 and 2018. The LR model obtained the best results for predicting AVM cure with an accuracy of 0.92, sensitivity of 0.93, specificity of 0.89, and an area under the curve (AUC) of 0.98, which shows that ML models are suitable for predicting the prognosis of medical conditions such as AVM and can be a support tool for medical decision-making. In addition, several factors were identified that could explain whether patients with AVM would be cured at 36 months with the highest likelihood: the location of the AVM, the occupation of the patient, and the presence of hemorrhage.
Diaphragmatic Liver Herniation after Radiofrequency Ablation of a Secondary Liver Tumor
Authors: Hoskovec David , Hořejš Josef , Krška Zdeněk , Argalácsová Soňa , Klobušický Pavol
Published: December 2023

Radiofrequency thermal ablation (RFA) is widely used and has been accepted for the treatment of unresectable tumors. The leading technique that is used is percutaneous RFA under CT or US guidance. Multicenter surveys report acceptable morbidity and mortality rates for RFA. The mortality rate ranges from 0.1% to 0.5%, the major complication rate ranges from 2% to 3%. Diaphragmatic injury is a rare complication and it is described after RFA of subdiaphragmatic tumors. Most of them are without clinical importance. There are some case reports about diaphragmatic herniation of the intestine into the pleural cavity. We present a case of diaphragmatic perforation resulting in the herniation of the liver into the pleural cavity. A thoracotomy was performed, the liver was lowered back into the peritoneal cavity and the perforation was closed with mesh.
Evaluating Metabarcoding Markers for Identifying Zooplankton and Ichthyoplankton Communities to Species in the Salish Sea: Morphological Comparisons and Rare, Threatened or Invasive Species
Authors: Stepien Carol A. , Schultz Haila K. , McAllister Sean M. , Norton Emily L. , Keister Julie E.
Published: December 2023

Zooplankton and ichthyoplankton community assessments depend on species diagnostics, yet morphological identifications are time-consuming, require taxonomic expertise, and are hampered by a lack of diagnostic characters, particularly for larval stages. Metabarcoding can identify multiple species in communities from short DNA sequences in comparison to reference databases. To evaluate species resolution across phylogenetic groups and food webs of zooplankton and ichthyoplankton, we compare five metabarcode mitochondrial (mt)DNA markers from gene regions of (a) cytochrome c oxidase subunit I, (b) cytochrome b, (c) 16S ribosomal RNA, and (d) 12S ribosomal RNA for DNA extracted from net tows in the Northeastern Pacific Ocean’s Salish Sea across seven sites and two seasons. Species resolved by metabarcoding are compared to invertebrate morphological identifications and biomass estimates. Results indicate that species resolution for different zooplankton and ichthyoplankton taxa can markedly vary among gene regions and markers in comparison to morphological identifications. Thus, researchers seeking “universal” metabarcoding should take caution that several markers and gene regions likely will be needed; all will miss some taxa and yield incomplete overlap. Species resolution requires careful attention to taxon marker selection and coverage in reference sequence repositories. In summary, combined multi-marker metabarcoding and morphological approaches improve broadscale zooplankton diagnostics.
Detection of Anticipatory Dynamics between a Pair of Zebrafish
Authors: Chen Wei-Jie , Ko I-Shih , Lin Chi-An , Chen Chun-Jen , Wu Jiun-Shian , Chan C. K.
Published: December 2023

Anticipatory dynamics (AD) is unusual in that responses from an information receiver can appear ahead of triggers from the source, and direction of information flow (DIF) is needed to establish causality. Although it is believed that anticipatory dynamics is important for animals’ survival, natural examples are rare. Time series (trajectories) from a pair of interacting zebrafish are used to look for the existence of AD in natural systems. In order to obtain the DIF between the two trajectories, we have made use of a special experimental design to designate information source. However, we have also used common statistical tools such as Granger causality and transfer entropy to detect DIF. In our experiments, we found that a majority of the fish pairs do not show any anticipatory behaviors and only a few pairs displayed possible AD. Interestingly, for fish in this latter group, they do not display AD all the time. Our findings suggest that the formation of schooling of fish might not need the help of AD, and new tools are needed in the detection of causality in AD system.
Superoperator Master Equations and Effective Dynamics
Authors: Teretenkov Alexander Evgen’evich
Published: December 2023

We developed the projection method to derive an analog of the quantum master equation for propagators rather than density matrices themselves. As these propagators are superoperators, we call them superoperator master equations. Furthermore, as the projector maps superoperators to superoperators, we call it a hyperprojector. We gave general perturbative expansions for generators of the weak coupling superoperator master equation and the stroboscopic limit superoperator master equation. After that, we considered a particular example of a hyperprojector that is the infinite time average of unitary dynamics. We call it the averaging hyperprojector. We discussed the properties of this hyperprojector and its physical meaning. Then, we illustrated our general second order superoperator master equations arising in the weak coupling limit and the stroboscopic limit, taking the averaging hyperprojector as an example, which we call effective dynamics. We discussed some properties of these superoperator master equations, in particular, the entropy increase.
ModSoft-HP: Fuzzy Microservices Placement in Kubernetes
Authors: Petrakis Euripides G. M. , Skevakis Vasileios , Eliades Panayiotis , Aznavouridis Alkiviadis , Tsakos Konstantinos
Published: December 2023

The growing popularity of microservices architectures generated the need for tools that orchestrate their deployment in containerized infrastructures, such as Kubernetes. Microservices running in separate containers are packed in pods and placed in virtual machines (nodes). For applications with multiple communicating microservices, the decision of which services should be placed in the same node has a certain impact on both the running time and the operation cost of an application. The default Kubernetes scheduler is not optimal in that case. In this work, the service placement problem is treated as graph clustering. An application is modeled using a graph with nodes and edges representing communicating microservices. Graph clustering partitions the graph into clusters of microservices with high-affinity rates. Then, the microservices of each cluster are placed in the same Kubernetes node. A class of methods resorts to hard clustering (i.e., each microservice is placed in exactly one node). We advocate that graph clustering should be fuzzy to allow high-utilized microservices to run in more than one instance (i.e., pods) in different nodes. ModSoft-HP Scheduler is a custom Kubernetes scheduler that takes scheduling decisions based on the results of the ModSoft fuzzy clustering method followed by heuristic packing (HP). For proof of concept, the workloads of two applications (i.e., an e-commerce application, eShop, and an IoT architecture) are given as input to the default Kubernetes Scheduler, the Bisecting K-means, and the Heuristic First Fit (hard) clustering schedulers and to the ModSoft-HP fuzzy clustering method. The experimental results demonstrate that ModSoft-HP can achieve up to 90% reduction of egress traffic, up to 20% savings in response time, and up to 25% less hosting costs compared to service placement with the default Kubernetes Scheduler in the Google Kubernetes Engine.
Continuous Electrode Models and Application of Exact Schemes in Modeling of Electrical Impedance Measurements
Authors: Vizvari Zoltan , Klincsik Mihaly , Odry Peter , Tadic Vladimir , Gyorfi Nina , Toth Attila , Sari Zoltan
Published: December 2023

The crucial issue in electrical impedance (EI) measurements lies in the galvanic interaction between the electrodes and the investigated material. This paper brings together the basic and applied research experience and combines their results with excellent properties. Consequently, innovative precise methodologies have emerged, enabling the direct modeling of EI measurements, free from the inaccuracies often associated with numerical approaches. As an outcome of the efficiency and robustness of the applied method, the conductivity of the material and the electrodes are represented by a common piecewise function, which is used to solve the differential equation modeling of the EI measurement. Moreover, this allows the possibility for modeling the conductivity of electrodes with continuous functions, providing an important generalization of the Complete Electrode Model (CEM), which has been widely used so far. The effectiveness of the novel approach was showcased through two distinct case studies. In the first case study, potential functions within both the material and the electrodes were computed using the CEM. In the second case study, calculations were performed utilizing the newly introduced continuous electrode model. The simulation results suggest that the new method is a powerful tool for biological research, from in vitro experiments to animal studies and human applications.