bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimal Dimensional Synthesis of Ackermann Steering Mechanisms for Three-Axle, Six-Wheeled Vehicles
Authors: Kang Yaw-Hong , Pang Da-Chen , Zeng Yi-Ching
Published: January 2025

This study employs four metaheuristic optimization methods to optimize the dimensional synthesis of Ackermann steering mechanisms for three-axle, six-wheeled vehicles with front-axle steering mode and reverse-phase steering mode. The employed optimization methods include Particle Swarm Optimization (PSO), Hybrid Particle Swarm Optimization (HPSO), Differential Evolution with golden ratio (DE-gr), and Linearly Ensemble of Parameters and Mutation Strategies in Differential Evolution (L-EPSDE). With a front-wheel steering angle range of 70 degrees, two hundred optimization experiments were conducted for each method, and statistical analyses revealed that DE-gr and L-EPSDE methods outperformed PSO and HPSO methods in terms of standard deviation, mean value, and minimum error. These two methods exhibited superior convergence stability, faster convergence, and higher accuracy compared to PSO and HPSO. Reverse-phase (K = 1) steering mode outperformed front-axle steering mode, delivering reduced steering errors and turning radii. Considering the transmission ratio of front to rear axle (K) as a design variable in reverse-phase steering mode increased design flexibility and significantly lowered steering errors for the front and rear axle steering mechanisms. However, this comes with a slight increase in the turning radius of the vehicle’s front part compared to when K = 1. The optimized mechanism, designed using the DE-gr method, was validated through kinematic simulations and steering analyses using MSC-ADAMS v2015 software, further confirming the effectiveness and reliability of the proposed design.
Influences of Different Factors and Sensitivity Analysis of Permeability of Gassy Coal
Authors: Li Bo , Yuan Yong , Liang Yunpei , Qin Zhenghan
Published: January 2025

Influencing factors and sensitivity analysis of coal permeability are significant for reasonably setting coalbed methane (CBM) extraction parameters and increasing CBM output. Seepage tests were conducted on gassy coal using a seepage test system for damaged coal and rock mass under various conditions of axial pressure, confining pressure, and gas pressure. Moreover, the influences of different factors on the permeability of gassy coal and the sensitivity of permeability to these factors were analyzed. Research results show that under the same confining pressure, the relationship between permeability and axial pressure of gassy coal meets the quadratic polynomial function; under the same axial pressure, the permeability changes with the confining pressure as a power function. The permeability of gassy coal is far more sensitive to confining pressure than to axial pressure during axial seepage. Under the same axial pressure and confining pressure (same stress), the permeability of gassy coal reduces at first and then increases in a V-shaped trend with growing gas pressure. There is a turning point in the seepage tests, that is, the critical gas pressure. When the gas pressure is lower than the critical value, the slippage effect plays the leading role in the variation of permeability of the coal; on the contrary, effective stress plays the dominant role. In the non-isobaric deviatoric stress state, the permeability of gassy coal is most sensitive to the confining pressure, followed successively by gas pressure and axial pressure. The research results provide a theoretical basis for precise gas extraction and control in coal seams.
Optimizing Growth Conditions and Biochemical Properties of Chondracanthus acicularis (Rhodophyta) in Laboratory Settings
Authors: Mouga Teresa , Sousa Andreia , Freitas Marta V. , Afonso Clélia
Published: January 2025

This study aimed to evaluate the laboratory cultivation of Chondracanthus acicularis, focusing on key environmental parameters such as nutrient levels and light exposure. The results provide insights into the optimal growth conditions and biochemical composition of C. acicularis, which are crucial for its sustainable exploitation in industrial applications. Significant differences in the relative growth rate (RGR) and productivity (Y) were found between the different treatments. Seaweed grown on Provasoli (PES) Medium with white LED light and red LED light showed the best growth rates. Negative growth was observed in treatments with Nutribloom plus®, and blue LED light. The proximate composition analysis revealed a high moisture content across all treatments, with significant differences in ash and organic matter content between the treatments. The use of LED light played a crucial role in optimizing growth by influencing photosynthetic efficiency and pigment production. The proximate composition varied significantly between treatments, especially ash and organic matter. Light and nutrient conditions also influenced pigmentation and colour characteristics, with significant changes in phycoerythrin, phycocyanin, and chlorophyll concentration. PES treatments consistently showed the highest colour variation. These findings highlight the influence of environmental conditions on seaweed growth, productivity, pigmentation, and proximate composition, and provide valuable insights for optimized cultivation strategies.
Unbiased Isotonic Regression Tree for Discovering Hidden Heterogeneity in Monotonicity Constraints
Authors: Choi Doowon
Published: January 2025

Integrating domain knowledge is increasingly recognized as vital for improving the relevance and reliability of machine learning models. This integration is often implemented through specific types of constraints that reflect real-world conditions or theoretical insights. Within the family of regression trees, the isotonic regression tree is used to incorporate a monotonicity constraint between a predictor and a response variable. However, the isotonic regression tree could be susceptible to split selection bias, as it selects both its split variable and cutpoint simultaneously. This study first explores the possibility of selection bias on split variables in the isotonic regression tree and proposes an unbiased isotonic regression tree that mitigates the issue of the selection bias problem. The results of the simulation and case study demonstrate the effectiveness of the proposed approach and the ability to discover hidden heterogeneous monotonic constraints.
The Complementary Role of Motor Imagery on VO2max and Lactate in Professional Football Players with Grade II Ankle Sprains During the Return-to-Play Period
Authors: Plakoutsis George , Tsepis Elias , Fousekis Konstantinos , Christakou Anna , Papandreou Maria
Published: January 2025

Ankle sprains are considered to be the most common musculoskeletal lower limb injury, accounting for a high percentage of all sport injuries in football. Motor imagery (MI) has been widely used for sports performance optimization purposes, suggesting that athletes’ ability to reenact a motor action can improve sports performance and rehabilitation. The aim of the present study was to explore the role of MI as an adjunct intervention in VO2max and lactate in football players with Grade II ankle sprains during the return-to-play period. Fifty-eight professional football players were randomly divided into two groups: first, the MI (n = 29) and second, the placebo (n = 29). The MI group received recorded MI instructions, whereas the placebo group received only relaxation instructions. A one-way ANOVA revealed statistically significant results within the first 4 weeks following the interventions in both groups. Additionally, a t-test showed statistically significant differences between the two groups in VO2max (t = −6.04, p = 0.000, two-tailed, p < 0.05) and lactate (t = 4.33, p = 0.000, two-tailed, p < 0.05). Further research across various sports is needed to better understand the role of MI in the return-to-play period, particularly regarding injury management and sports performance.
Synthesis and Characteristics of 1,2,4,5-Tetrazines for Using as High Energy Density Materials (HEDMs)
Authors: Górecki Sebastian , Kudelko Agnieszka
Published: January 2025

Nitrogen-rich heterocycles constitute a family of high energy density materials (HEDMs) that have been developing intensively in recent years. A representative of this class is 1,2,4,5-tetrazine, a six-membered aromatic compound containing four nitrogen atoms in the ring. Many energetic compounds with this scaffold exhibit thermal stability, high density, and insensitivity to various stimuli, including friction, impact, and electrostatic discharge. This review presents methods for constructing 1,2,4,5-tetrazine precursors from acyclic reagents and describes their chemical modifications, leading to new energetic compounds with potential applications in the industry as explosives, propellants, or pyrotechnics. Synthetic procedures and reaction conditions are discussed, along with the detonation parameters of new nitrogen-rich tetrazine-based products, which allow estimation of their application potential.
Electrostatic Particle Ionization for Reduction in Livestock and Potash Dust
Authors: Martel Myra , Taylor Matthew , Kirychuk Shelley , Choi Kwangseok , Guo Huiqing , Zhang Lifeng
Published: January 2025

Airborne dust is an important contaminant affecting the health and the environment, and a crucial concern in many workplaces such as animal facilities and potash mines. One of the techniques used for dust control is electrostatic particle ionization (EPI). This technology has been proven effective in reducing airborne dust; however, it has downsides, such as the generation of ozone and corrosion of electrodes. Thus, this study tested a corrosion-resistant carbon-fiber discharge electrode and compared it with electrodes commonly used in EPI systems, that is, stainless-steel and tungsten electrodes, in terms of collection efficiency for potash dust and wheat flour (representative of livestock dust), ozone production, and power consumption. The carbon-fiber electrode performed comparably to stainless-steel electrodes, particularly for potash dust, and performed better than the tungsten electrode in terms of dust collection efficiency. Moreover, it had the lowest energy consumption and generated the least amount of ozone. However, because of the limitations of this study (e.g., fewer samples, low air velocity, controlled conditions, and the use of wheat flour instead of livestock dust), tests under real barn or mining conditions are necessary to confirm the results.
Evaluation of Fractions Obtained Through Steam Distillation and Hydroalcoholic Maceration of Wood Chips from Pinus mugo for Flavouring Italian Spirit grappa
Authors: Perbellini Anna , Pelloso Fabio , Grigolato Stefano , Zanchin Alessandro , Guerrini Lorenzo
Published: January 2025

In the Italian Alps, mountain pine (Pinus mugo) is traditionally used to flavour the Italian spirit grappa. While its shoots and needles are well-studied, little is known about the potential of its wood and bark. This study explores the sequential extraction of Pinus mugo wood chips for grappa aromatisation, combining steam distillation and hydroalcoholic maceration to isolate volatile and non-volatile compounds. The wood chips were subjected to steam distillation to extract essential oils, followed by maceration in a 40% ethanol solution for 33 days. Three extracts were produced: essential oil, and hydroalcoholic extracts from fresh and post-distillation wood chips. The daily monitoring of maceration included pH, ORP, and colour analysis using the CIELAB methodology. The essential oil yield was 0.36 ± 0.12 mL per kg of wood chips. Fresh wood chips exhibited faster extraction and colour development compared to spent material. A sensory analysis distinguished grappas flavoured with essential oils but found no perceptible differences between those flavoured with fresh versus spent wood chips. This approach promotes the sustainable valorisation of Pinus mugo through circular extraction methods, enabling the customisation of grappa’s sensory profile and supporting diversification in Non-Wood Forest Products.
Regulation of Stress-Induced Immunosuppression in the Context of Neuroendocrine, Cytokine, and Cellular Processes
Authors: Balakin Evgenii , Yurku Ksenia , Ivanov Mark , Izotov Alexander , Nakhod Valeriya , Pustovoyt Vasiliy
Published: January 2025

Understanding the regulatory mechanisms of stress-induced immunosuppression and developing reliable diagnostic methods are important tasks in clinical medicine. This will allow for the development of effective strategies for the prevention and treatment of conditions associated with immune system dysfunction induced by chronic stress. The purpose of this review is to conduct a comprehensive analysis and synthesis of existing data on the regulatory mechanisms of stress-induced immunosuppression. The review is aimed at identifying key neuroendocrine, cytokine, and cellular processes underlying the suppression of the immune response under stress. This study involved a search of scientific literature covering the neuroendocrine, cellular, and molecular mechanisms of stress-induced immunosuppression regulation, as well as modern methods for its diagnosis. Major international bibliographic databases covering publications in biomedicine, psychophysiology, and immunology were selected for the search. The results of the analysis identified key mechanisms regulating stress-induced immunosuppression. The reviewed publications provided detailed descriptions of the neuroendocrine and cytokine processes underlying immune response suppression under stress. A significant portion of the data confirms that the activation of the hypothalamic–pituitary–adrenal (HPA) axis and subsequent elevation of cortisol levels exert substantial immunosuppressive effects on immune cells, particularly macrophages and lymphocytes, leading to the suppression of innate and adaptive immune responses. The data also highlight the crucial role of cortisol and catecholamines (adrenaline and noradrenaline) in initiating immunosuppressive mechanisms under chronic stress.
Rat Sarcoma Virus Family Genes in Acute Myeloid Leukemia: Pathogenetic and Clinical Implications
Authors: Khattab Shaimaa , Berisha Adriatik , Baran Natalia , Piccaluga Pier Paolo
Published: January 2025

Acute myeloid leukemias (AMLs) comprise a group of genetically heterogeneous hematological malignancies that result in the abnormal growth of leukemic cells and halt the maturation process of normal hematopoietic stem cells. Despite using molecular and cytogenetic risk classification to guide treatment decisions, most AML patients survive for less than five years. A deeper comprehension of the disease’s biology and the use of new, targeted therapy approaches could potentially increase cure rates. RAS oncogene mutations are common in AML patients, being observed in about 15–20% of AML cases. Despite extensive efforts to find targeted therapy for RAS-mutated AMLs, no effective and tolerable RAS inhibitor has received approval for use against AMLs. The frequency of RAS mutations increases in the context of AMLs’ chemoresistance; thus, novel anti-RAS strategies to overcome drug resistance and improve patients’ therapy responses and overall survival are the need of the hour. In this article, we aim to update the current knowledge on the role of RAS mutations and anti-RAS strategies in AML treatments.
Periodontal Indices as Predictors of Cognitive Decline: Insights from the PerioMind Colombia Cohort
Authors: Arévalo-Caro Catalina , López Diego , Sánchez Milán Jose Antonio , Lorca Cristina , Mulet María , Arboleda Humberto , Losada Amaya Sergio , Serra Aida , Gallart-Palau Xavier
Published: January 2025

Background: Poor oral health and periodontitis have been epidemiologically linked to cognitive decline and mild cognitive impairment (MCI) in older adults. However, specific metrics directly linking these clinical signs are exceedingly limited. Methods: To address this gap and develop novel tools to help clinicians identify individuals at risk of cognitive decline, we established the PerioMind Colombia Cohort, comprising elderly Colombian subjects who underwent comprehensive neurocognitive and periodontal evaluations. Results: The results revealed that subjects diagnosed with MCI exhibited significantly higher scores in specific periodontal indices, including gingival erythema and pocket depth parameters. The predictive model identified positive associations with MCI, with gingival erythema showing the strongest correlation, followed by the presence of periodontitis and variations in pocket depth measurements. Additionally, lower educational attainment was associated with a higher likelihood of being classified in the periodontitis-MCI group. Conclusions: Here, we show that specific altered periodontal metrics are associated with MCI diagnosis, and the generated results provide defined metric ranges for identifying individuals at risk. Upon validation in larger cohorts, the findings reported here could offer dental practitioners and clinicians innovative tools to identify individuals at risk of MCI and age-related dementias through routine oral health assessments, thereby enabling more accessible and highly sought-after early intervention strategies in both developing and developed countries.
Is There a Role for Daratumumab Retreatment in Patients with Relapsed/Refractory Multiple Myeloma?
Authors: Galusic Davor , Krecak Ivan , Blaslov Viktor , Krstulovic Opara Andela , Valkovic Toni , Basic Kinda Sandra
Published: January 2025

Multiple myeloma (MM) is a hematologic disease characterized by the clonal expansion of malignant plasma cells that accumulate in the bone marrow, leading to osteolytic bone disease, hypercalcemia, anemia, and renal dysfunction. Daratumumab was the first monoclonal anti-CD38 antibody approved for the treatment of MM, initially in relapse/refractory settings and, more recently, for newly diagnosed patients. Increased first-line usage of daratumumab will also substantially change treatment approaches for patients with relapsed/refractory disease. Due to the cost and availability of bispecific T cell redirecting antibodies (BsAbs) and chimeric antigen receptor T cell therapy (CAR-T) in real-life settings in many countries, retreatment with daratumumab in subsequent lines of therapy might be a reasonable choice. Data regarding efficacy and optimal combinations of daratumumab retreatment are lacking, and here we provide a short literature review of available data. We identified only a small number of articles based on retrospective analysis of medical records in real-life settings. A strong consistency in results regarding response rates and treatment duration was noticed among mainly heavily pre-treated MM patients, with approximately half of patients achieving at least partial remission (PR) after retreatment with daratumumab-based protocol. The duration of treatment and time to the next treatment for retreatment episodes were considerable and consistent with clinical expectations for later lines of therapy. The analysis of data in this literature review indicates that daratumumab retreatment may provide meaningful clinical benefit to some patients with relapsed/refractory MM despite having prior exposure. However, further research is needed to identify clinical and biological parameters that may predict favorable responses to daratumumab retreatment.
Advances in Biomimetics: The Power of Diversity
Authors: Gorb Stanislav N. , Carbone Giuseppe , Speck Thomas , Fratzl Peter
Published: January 2025

Biomimetics research on living systems attempts to transfer their properties and functions to engineering applications [...]
The Effect of Lipopolysaccharides from Salmonella enterica on the Size, Density, and Compressibility of Phospholipid Vesicles
Authors: Szabó Tamás , Garaiová Zuzana , Melikishvili Sopio , Tatarko Marek , Keresztes Zsófia , Hianik Tibor
Published: January 2025

The properties of the large unilamellar vesicles (LUVs) from 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine (DMPC), modified by lipopolysaccharides (LPS) from Salmonella enterica sv. Enteritidis, which mimics Gram-negative bacteria, were studied by various physical methods. LPS, in the range of 0/20/50 % w/w relative to the lipid, had a regulatory role in the structure of the LUVs toward the lower size, low polydispersity, and over-a-month size stability due to the lower negative zeta potential. The addition of LPS resulted in increased density, which determined the ultrasound velocity and the specific adiabatic compressibility. In a 0.5/1/2 mg/mL concentration range, the total lipid content did not significantly affect the size of LUVs and influenced the density-related attributes similarly to the LPS content. A positive correlation was found between temperature and vesicle size, and a negative correlation was found between temperature and density and compressibility—except for the anomaly behavior at 25 °C, around the melting point of DMPC.
Wearable Sensors for Plants: Status and Prospects
Authors: Yan Xuexin , Pang Yawen , Niu Kaiwen , Hu Bowen , Zhu Zhengbo , Tan Zuojun , Lei Hongwei
Published: January 2025

The increasing demand for smart agriculture has led to the development of agricultural sensor technology. Wearable sensors show great potential for monitoring the physiological and surrounding environmental information for plants due to their high flexibility, biocompatibility, and scalability. However, wearable sensors for plants face several challenges that hinder their large-scale practical application. In this review, we summarize the current research status of wearable plant sensors by analyzing the classification, working principles, sensor materials, and structural design and discussing the multifunctional applications. More importantly, we comment on the challenges the wearable plant sensors face and provide our perspectives on further improving the sensitivity, reliability, and stability of wearable plant sensors for future smart agriculture.
Optimizing Neurobehavioral Assessment for Patients with Disorders of Consciousness: Proposal of a Comprehensive Pre-Assessment Checklist for Clinicians
Authors: Keech Kristen , Schnakers Caroline , Murtaugh Brooke , O’Brien Katherine , Slomine Beth , Briand Marie-Michèle , Formisano Rita , Thibaut Aurore , Estraneo Anna , Noé Enrique , Gosseries Olivia , da Conceição Teixeira Liliana
Published: January 2025

Background: Clinicians are challenged by the ambiguity and uncertainty in assessing level of consciousness in individuals with disorder of consciousness (DoC). There are numerous challenges to valid and reliable neurobehavioral assessment and classification of DoC due to multiple environmental and patient-related biases including behavioral fluctuation and confounding or co-occurring medical conditions. Addressing these biases could impact accuracy of assessment and is an important aspect of the DoC assessment process. Methods: A pre-assessment checklist was developed by a group of interdisciplinary DoC clinical experts and researchers based on the existing literature, current validated tools, and expert opinions. Once finalized, the checklist was electronically distributed to clinicians with a range of experience in neurobehavioral assessment with DoC. Respondents were asked to use the checklist prior to completing a neurobehavioral assessment. A survey was also provided to respondents to obtain feedback regarding checklist feasibility and utility in optimizing the behavioral assessments. Results: Thirty-three clinicians completed the survey after using the checklist. Over half of the respondents were a combination of physicians, neuropsychologists, and physical therapists. All respondents served the adult DoC population and 42% percent had over ten years of clinical experience. Eighty percent reported they found the format of the checklist useful and easy to use. All respondents reported the checklist was relevant to preparing for behavioral assessment in the DoC population. Eighty-four percent reported they would recommend the use of the tool to other clinicians. Conclusions: The use of a pre-assessment checklist was found to be feasible and efficacious in increasing interdisciplinary clinician’s ability to optimize the patient and environment in preparation for neurobehavioral assessment. Initial results of clinicians’ perception of the utility of a pre-assessment checklist were positive. However, further validation of the tool is needed with larger sample sizes to improve representation of clinical use across disciplines and care settings.
Exploring Narrative Ability in Greek-Speaking Children with High-Functioning ASD: Associations with Memory and Attention
Authors: Zarokanellou Vasiliki , Gryparis Alexandros , Papanikolaou Katerina
Published: January 2025

Background/Objectives: Narration is a sensitive tool for the assessment of language in children with high-functioning autism spectrum disorder (HF-ASD) since mild language deficits beyond the sentential level are not always noticeable through the administration of standardized language tests targeting the lexical or sentential level. This study investigated the narrative ability of monolingual Greek-speaking HF-ASD children in comparison to that of their typically developing (TD) peers and explored the associations between narrative variables, ADHD symptomatology, and memory skills in the participants on the autistic spectrum. Methods: The participants were 39 children aged 7 to 12 years, 19 with HF-ASD and 20 age-matched, vocabulary-matched, and cognitively matched TD peers. Results: The two groups were similar in most microstructural and macrostructural variables but differed significantly in syntactic complexity (p = 0.024; d = 0.754) and subordination (p < 0.001; d = −1.576) indices, implying that the HF-ASD group presented syntactic delay in comparison to their TD peers. The HF-ASD participants showed significantly higher heterogeneity in the amount of information generated for the story’s main character (p = 0.004; d = −0.093) in comparison to their TD peers. Significant associations were observed between verbal and visual memory, complex syntactic structures, and Theory of Mind-related internal state terms. ADHD symptomatology was negatively correlated with the generation of simple and coordinated clauses. Finally, complex syntax and delayed vSTM were correlated with retelling total scores, indicating that language ability and verbal memory compensate for narrative competence in HF-ASD children. Conclusions: The findings highlight the impact that language skills, memory ability, and ADHD symptomatology have on narrative competence in children with HF-ASD, as well as the importance of narrative use for assessing the language skills in populations with mild language impairment.
Analysis of the Influence of Incorporating Different Thermal-Insulating Materials into the Sub-Ballast Layers
Authors: Ižvolt Libor , Dobeš Peter , Mečár Martin , Navikas Deividas
Published: January 2025

Adverse climatic conditions, particularly excessive water and frost, necessitate the design of thick protective sub-ballast layers when dealing with frost-susceptible subgrade surfaces, especially when using standard natural materials (crushed aggregate or gravel–sand). Given the current preference for conserving natural construction materials and promoting sustainable development in the dimensioning of sub-ballast layers, it is advisable to incorporate various thermal insulation, composite, or suitable recycled materials in their design. Therefore, the paper analyses the impact of incorporating different thermal insulation materials (including extruded polystyrene, Liapor, Liapor concrete, and composite foam concrete) into sub-ballast layers. As part of the experimental research, these modified sub-ballast layers were constructed on a real scale in the outdoor environment of the University of Žilina (UNIZA) campus. They were subsequently compared in terms of their thermal resistance to climatic loads. The research results demonstrate that extruded polystyrene provides the optimal thermal insulation effect in modified sub-ballast layers, which was subsequently used in the numerical modelling of railway track structure freezing under different climatic loads.
The HOX Gene Family’s Role as Prognostic and Diagnostic Biomarkers in Hematological and Solid Tumors
Authors: Kopec Kaci , Quaranto Danielle , DeSouza Nicole R. , Jarboe Tara , Islam Humayun K. , Moscatello Augustine , Li Xiu-Min , Geliebter Jan , Tiwari Raj K.
Published: January 2025

The HOX gene family encodes for regulatory transcription factors that play a crucial role in embryogenesis and differentiation of adult cells. This highly conserved family of genes consists of thirty-nine genes in humans that are located in four clusters, A–D, on different chromosomes. While early studies on the HOX gene family have been focused on embryonic development and its related disorders, research has shifted to examine aberrant expression of HOX genes and the subsequent implication in cancer prediction and progression. Due to their role of encoding master regulatory transcription factors, the abnormal expression of HOX genes has been shown to affect all stages of tumorigenesis and metastasis. This review highlights the novel role of the HOX family’s clinical relevance as both prognostic and diagnostic biomarkers in hematological and solid tumors.
Selective Synthesis of Isoquinoline-1-Carboxamides via Palladium-Catalyzed Aminocarbonylation in DMF and Biomass-Derived Solvents
Authors: Kollár László , Ince Nuray Uzunlu , Zugó Alexandra , Dörnyei Ágnes , Takács Attila
Published: January 2025

In this study, the palladium-catalyzed aminocarbonylation of 1-iodoisoquinoline was accomplished in the presence of various amines. While the reactions with simple primary and secondary amines were carried out by using the well-known Pd(OAc)2/PPh3 catalyst, the application of amines with lower basicity (e.g., aromatic amines) or more difficult structures (e.g., amino acid methyl esters, nortropine, diethyl (α-aminobenzyl)phosphonate) required the use of bidentate XantPhos ligand to achieve complete conversion in short reaction time (2–8 h). In this way, several valuable isoquinoline-1-carboxamides were synthesized in chemoselective carbonylation and isolated in good to high yields (55–89%). Furthermore, the aminocarbonylation of the model compound in the presence of several amines was also investigated in three biomass-derived solvents (GVL, ethyl levulinate, and 2-MeTHF). After comparing the outcome of the reactions in DMF and the above green solvents, similar reactivity was observed, justifying that they could be considered a feasible alternative reaction medium.
Effect of Kinases in Extracellular Vesicles from HIV-1-Infected Cells on Bystander Cells
Authors: Mensah Gifty A. , Williams Anastasia , Khatkar Pooja , Kim Yuriy , Erickson James , Duverger Alexandra , Branscome Heather , Patil Kajal , Chaudhry Hafsa , Wu Yuntao , Kutsch Olaf , Kashanchi Fatah
Published: January 2025

As of 2023, there were 39.9 million people living with Human Immunodeficiency Virus type 1 (HIV-1). Although great strides have been made in treatment options for HIV-1, and our understanding of the HIV-1 life cycle has vastly improved since the start of this global health crisis, a functional cure remains elusive. One of the main barriers to a cure is latency, which allows the virus to persist despite combined antiretroviral therapy (cART). Recently, we have found that exosomes, which are small, membrane-enclosed particles released by virtually all cell types and known to mediate intercellular communication, caused an increase in RNA Polymerase II loading onto the HIV-1 promoter. This resulted in the production of both short- and long-length viral transcripts in infected cells under cART. This current study examines the effects of exosome-associated kinases on bystander cells. The phospho-kinase profiling of exosomes revealed differences in the kinase payload of exosomes derived from uninfected and HIV-1-infected cells, with CDK10, GSK3β, and MAPK8 having the largest concentration differences. These kinases were shown to be biologically active and capable of phosphorylating substrates, and they modulated changes in the cell cycle dynamics of exposed cells. Given the relevance of such effects for the immune response, our results implicate exosome-associated kinases as new possible key contributors to HIV-1 pathogenesis that affect bystander cells. These findings may guide new therapeutic avenues to improve the current antiretroviral treatment regimens.
Discovery of Evolutionary Loss of the Ubiquitin-like Autophagy-Related ATG12 System in a Lineage of Apicomplexa
Authors: Lin Xiaoxia X. , Bai Yun D. , Wang Sichang T. , Nozawa Akira , Sawasaki Tatsuya , Masatani Tatsunori , Hikosaka Kenji , Asada Masahito , Sakamoto Hirokazu
Published: January 2025

The autophagy-related ubiquitin-like conjugation systems, the ATG8 and ATG12 systems, are universally conserved in eukaryotes. However, the covalent bond in the ATG12 system has recently been shown to be evolutionarily lost in Apicomplexa. Here, we show that all genes associated with the ATG12 system are absent in piroplasmida, a lineage within Apicomplexa. Comparative genomics of ATGs further shows that piroplasm ATG3 has lost the region necessary for ATG12 binding. However, our in vitro functional analysis using recombinant proteins demonstrated that ATG3 retained the ability to interact with ATG8 in Babesia bovis, a model species in piroplasmida. These findings provide evidence that the ATG8 system is functional, while the ATG12 system is completely lost in the common ancestor of piroplasmida and highlight the evolutionary flexibility of the ATG12 system in Apicomplexa.
In Situ Classification of Original Rocks by Portable Multi-Directional Laser-Induced Breakdown Spectroscopy Device
Authors: Zhang Mengyang , Fu Hongbo , Wang Huadong , Shi Feifan , Jamali Saifullah , Ding Zongling , Wu Bian , Zhang Zhirong
Published: January 2025

In situ rapid classification of rock lithology is crucial in various fields, including geological exploration and petroleum logging. Laser-induced breakdown spectroscopy (LIBS) is particularly well-suited for in situ online analysis due to its rapid response time and minimal sample preparation requirements. To facilitate in situ raw rock discrimination analysis, a portable LIBS device was developed specifically for outdoor use. This device built upon a previous multi-directional optimization scheme and integrated machine learning to classify seven types of original rock samples: mudstone, basalt, dolomite, sandstone, conglomerate, gypsolyte, and shale from oil logging sites. Initially, spectral data were collected from random areas of each rock sample, and a series of pre-processing steps and data dimensionality reduction were performed to enhance the accuracy and efficiency of the LIBS device. Subsequently, four classification algorithms—linear discriminant analysis (LDA), K-nearest neighbor (KNN), support vector machine (SVM), and extreme gradient boosting (XGBoost)—were employed for classification discrimination. The results were evaluated using a confusion matrix. The final average classification accuracies achieved were 95.71%, 93.57%, 92.14%, and 98.57%, respectively. This work not only demonstrates the effectiveness of the portable LIBS device in classifying various original rock types, but it also highlights the potential of the XGBoost algorithm in improving LIBS analytical performance in field scenarios and geological applications, such as oil logging sites.
Triterpenoids from Chios Mastiha Resin Against MASLD—A Molecular Docking Survey
Authors: Milošević Nataša , Milanović Maja , Medić Stojanoska Milica , Tipmanee Varomyalin , Smyrnioudis Ilias , Dedoussis George V. , Milić Nataša
Published: January 2025

Non-alcoholic fatty liver disease (NAFLD) is the most common chronic liver disease without an approved pharmacological approach for its prevention/treatment. Based on the modified Delphi process, NAFLD was redefined as metabolic dysfunction-associated steatotic liver disease (MASLD) to highlight the metabolic aspect of liver pathogenesis. Chios mastiha (Pistacia lentiscus var. Chia, Anacardiaceae) resin demonstrated promising results in MASLD treatment. In this paper, molecular docking was applied to test 16 compounds from Chios mastiha as potential ligands for the receptors GR, LXRα, LXRβ, PPARα PPARγ, MC4R, AMPK, and VEGFR2, whose up- and down-regulation interfere with MASLD development and progression. The observed compounds had moderate and high affinity for LXR, GR, MC4R, and PPARγ in comparison to proven ligands, while their affinity for PPARα, AMPK, and VEGFR was less pronounced. The combination of active compounds from Chios mastiha rather than a single molecule may have a superior ability to control the intertwined MASLD metabolic pathways.
Individual and Joint Effect of Oleic Acid Imidazoline and CeCl3 on Carbon Steel Corrosion in CO2-Saturated Brine Solution
Authors: Borko Tihomir , Bilić Gordana , Žbulj Katarina , Otmačić Ćurković Helena
Published: January 2025

In production and transportation systems of the oil industry, brine solutions contain high concentrations of chloride and dissolved CO2, which is a very corrosive medium to which carbon steel is exposed. Therefore, finding new effective and environmentally friendly corrosion inhibitors is of great importance. The effect of CeCl3 (in concentrations from 5 mg dm−3 to 20 mg dm−3) and oleic acid imidazoline (IOA) (in concentrations from 5 mg dm−3 to 20 mg dm−3) separately and their mixtures (in concentrations from 5 mg dm−3 to 15 mg dm−3 of CeCl3 and from 5 mg dm−3 to 20 mg dm−3 of IOA) as corrosion inhibitors of AISI 1018 carbon steel corrosion in simulated brine solution saturated with CO2 at 60 °C were examined by means of weight-loss testing, electrochemical measurements (polarization resistance, linear polarization with Tafel extrapolation, electrochemical impedance spectroscopy) and surface analyses (scanning electron microscopy with energy-dispersive X-ray spectroscopy analyses, Raman spectroscopy and X-ray diffraction). All test methods showed a higher efficiency of compounds′ mixtures (from 62.77% to 97.94%) and a higher degree of corrosion protection compared to the action of individual compounds (efficiency from 3.43% to 94.61% for IOA and from 57.58% to 96.27% for CeCl3). Imidazoline, a common corrosion inhibitor in CO2-saturated systems, most likely forms a surface film with voids via its adsorption on steel surface, while cerium carbonate tends to fill these voids by creating a more compact film. In this way, a denser and thicker surface film is formed.
Computational Reconstruction of the Volatility Term Structure in the General Hull–White Model
Authors: Georgiev Slavi G. , Vulkov Lubin G.
Published: January 2025

Volatility recovery is of paramount importance in contemporary finance. Volatility levels are heavily used in risk and portfolio management. We employ the Hull–White one- and two-factor models to describe the market condition. We computationally recover the volatility term structure as a piecewise-linear function of time. For every maturity, a cost functional, defined as the squared differences between theoretical and market prices, is minimized and the respective linear part is reconstructed. On the last time steps, before each maturity, the derivative price is decomposed in order to make the minimization problem analytically solvable. The procedure works fast since only scalar values are obtained on each minimization. However, the predictor–corrector nature of the algorithm allows for the precise recovery of very complex volatility functions. An implicit scheme is used to solve the PDEs on bounded domains. The computational simulations with artificial and real data show that the proposed algorithm is stable, accurate and efficient.
The Role of Hydrogen Bond Interactions in Crystal Formation of Pyrrolo-Azines Alcohols
Authors: Popa Marcel Mirel , Răducă Mihai , Man Isabela C. , Dumitrascu Florea
Published: January 2025

New secondary alcohols of type Ar-CHOH-hetaryl and MeCHOH-hetaryl, the radical hetaryl being a pyrroloazine, were investigated in solid state by X-ray single-crystal diffraction analysis, Hirshfeld analysis and DFT methods to assess their crystallographic features. One of the most important features is the presence of the hydroxyl group bonded to an asymmetric carbon atom which was involved in strong hydrogen bonds. The driving force of crystal packing is H-bond with the O-H···O=C/N≡C bonds being considered as strong comparative to carboxylic acids. These structural properties and binding affinity might lead to enhanced bioavailability of these particular pyrrolo-azines
Chromite and Its Thin Kosmochlor and Cr-Omphacite Cortex in Amphibolite from the Myanmar Jadeite Deposits
Authors: Zhang Yu , Shi Guanghai , Wen Jiabao
Published: January 2025

Chromite in the amphibolites of the Myanmar jadeite deposits has not been well studied. Mineralogical studies on chromite and related kosmochlor and Cr-omphacite in the amphibolite of the Myanmar jadeite deposits were conducted. Compared to the chromite in the adjacent serpentinized peridotite, the chromite had higher Cr2O3 (45.67–54.25 wt.%) and MnO (1.82–1.90 wt.%) but lower MgO (1.00–1.96 wt.%) and Al2O3 (1.05–15.09 wt.%), similar to the published chromite compositions in jadeitite. Serpentinite was derived from a highly depleted mantle peridotite. There were at least two stages of metasomatism during the transformation of serpentinite + chromite to magnesio-katophorite + chromite + thin kosmochlor (and/or Cr-omphacite cortex). The first stage was the Ca-rich metasomatism of serpentinite, resulting in sodic-calcic amphibole (magnesio-katophorite), which preceded the formation of jadeite. The second stage of Na-rich metasomatism was produced by the Na-Al-Si-rich fluids with the magnesio-katophorite + chromite (contemporaneous with the formation of jadeite). The composition of the fluid was altered by a reaction with magnesio-katophorite, increasing the Ca-Mg content and resulting in the formation of kosmochlor rich in Ca-Mg and/or peripheral Cr-omphacite. This kosmochlor–Cr-omphacite belongs to the Jd-Kos-Di ternary join, which differs from the kosmochlor–Cr-jadeite (which belongs to the Jd-Kos join in jadeitite). The formation of jadeitite with chromite + kosmochlor + Cr-jadeite occurs when large amounts of Na-Al-Si-rich fluids have wrapped the pieces of chromite-bearing amphibolite. This also explains the proverbial “moss spray green” given that amphibole (with chromite) brings out the green color in jadeitite.
The Effect of Gradient Cooling Behavior on the Microstructure and Mechanical Properties of Al-2at.% Nd Alloy in a Vacuum Environment
Authors: Wang Xiangjie , Zhang Xinyu , Wu Wenjie , Sun Shuchen
Published: January 2025

Al-2at.% Nd alloy with a gradient cooling rate was prepared using a wedge-shaped mold in a vacuum environment. The relationship between gradient cooling behavior and the microstructure and properties of the Al-2at.% Nd alloy was investigated. The stability of the Al11Nd3 phase and the mechanical properties were confirmed through first-principles calculations. The results indicated that as the cooling rate decreased, the transformation of grain morphology in Al-2at.% Nd occurred as follows: a mixture of columnar grains and equiaxed grains→equiaxed grains. The grain size of the alloy increased. Discontinuous skeletal eutectic phases, α-Al and Al11Nd3, formed within the alloy, resulting in a reduction in the number of phase boundaries and grain boundaries. The hardness of the alloy decreased by 25.53%, and this pattern of change closely aligned with the calculated results.
Spatiotemporal Variations in Phytoplankton Community Structure and Diversity: A Case Study for a Macroalgae–Oyster Reef Ecosystem
Authors: Xu Min , Zhao Qi , Xu Yufu , Wang Shenzhi , Yu Yingbo , Zhang Haipeng , Wang Yun , Shen Jiabin , Yang Linlin , Zhang Yunling , Otaki Takayoshi , Komatsu Teruhisa , Xu Kaida
Published: January 2025

The estuarine area of Luanhe River is an important fisheries ground in China’s Bohai Sea. In 2016, Tangshan Marine Ranching Co., Ltd. constructed a 2 km2 artificial oyster–macroalgae reef area by placing artificial reefs on the seabed adjacent to the Luanhe River Estuary. This action resulted in sustainable annual economic outputs through the fishing and sea cucumber put-and-take fishery. Although Luanhe River runoff and reef construction are important to the local phytoplankton community and fisheries’ production, little is known about how these factors affect phytoplankton community structure in the local coastal ecosystem. In this study, we conducted field surveys to investigate the spatiotemporal variations in species composition, abundance, dominant species, diversity indexes, niche width and overlap, and interspecific connection of the phytoplankton community in the ecosystem of oyster–macroalgal reefs. From July 2016 to August 2017, we collected data before and after reef construction in areas inside and outside of the benthic reefs in both the flood and dry seasons of Luanhe River runoff. We found a total of 79 species, with the majority represented by diatoms and dinoflagellates. The dominant species were Paralia sulcata and Coscinodiscus sp. The total species number and abundance increased from May to September. The species number in the reef area was greater than that outside the reef. Species abundance from August to September was greater in the reef area than in the control area, which was opposite the situation from May to June. We found more phytoplankton abundance in the flood season compared with that in the dry season. Our results suggest that reef construction can benefit the local phytoplankton community and that further studies of the relationship among oysters, macroalgae, and phytoplankton in the system are warranted. Moreover, we provide baseline data about variations in the phytoplankton community in a sea ranch area.
Electrocardiographic Frontal QRS-T Angle Is Independently Associated with the Presence of Celiac Disease and Disease Duration
Authors: Yamak Betül Ayça , Güven İbrahim Ethem , Candemir Mustafa
Published: January 2025

Background: The impact of Celiac Disease (CD) is not only limited to the intestinal system, but extraintestinal manifestations may also be seen. In this context, cardiac manifestations have recently been the focus of attention. This study aimed to evaluate myocardial repolarization properties in CD patients by assessing the frontal QRS-T Angle (fQRS-T) on electrocardiography (ECG). Methods: A total of 302 patients, including 150 CD patients and 152 control group patients, were included in the study. ECG parameters, including fQRS-T, QRS interval, and QTc interval, were calculated for each patient and compared between the groups. In addition, the relationship of these ECG parameters with disease duration was also analyzed. Results: The median disease duration was 38.5 (16 to 96) months in the CD group. Significantly wider QRS interval (92 (86 to 96) vs. 83 (76.3 to 93), p < 0.001) and fQRS-T (23 (13 to 37) vs. 18 (6.3 to 27), p < 0.001) values were observed in the CD group. Among CD patients, those with longer disease duration (>38.5 months) exhibited significantly wider QRS intervals (94 (88 to 98) vs. 88 (84 to 94), p < 0.001) and frontal QRS-T angles (29 (14 to 47) vs. 16 (10 to 25), p < 0.001) compared to those with shorter disease duration. A positive correlation between the disease duration and fQRS-T was also demonstrated (r = 0.478, p < 0.001). Multivariable logistic regression identified QRS interval (OR: 1.060, 95% CI: 1.032–1.088, p < 0.001) and frontal QRS-T angle (OR: 1.028, 95% CI: 1.013–1.043, p < 0.001) as independent predictors of CD. Additionally, the QRS interval (OR: 1.066, 95% CI: 1.012–1.124, p = 0.016) and frontal QRS-T angle (OR: 1.021, 95% CI: 1.003–1.038, p = 0.021) were significant predictors of longer disease duration. A linear regression analysis confirmed that disease duration was a stronger predictor of frontal QRS-T angle widening (B: 0.389, 95% CI: 0.102–0.677, p < 0.001) compared to age (B: 0.184, 95% CI: 0.123–0.245, p = 0.008). Conclusions: In this study, we demonstrated that chronic inflammation secondary to CD may have negative effects on cardiac repolarization and that this effect is closely related to disease duration.