bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insights Into Benzothiazolyl‐Coupled Azetidinone Moieties Toward EGFR Binding and Stability Analysis—Evidence From Molecular Docking and Dynamics Simulation
Authors: Rajesh Gupta Dheeraj , Dwivedi Prarambh S. R. , Koshy Abel John , S Anusha , A Ranjitha , Rehman Niyas , Kumar Pankaj 
Published: August 2024

ABSTRACTBreast cancer, a formidable threat to women's health, mainly manifests in the HER2 subtype, affecting approximately one in five women. Thus, this study endeavors to pioneer novel approaches by exploring the efficacy of benzothiazole‐coupled azetidinone derivatives against EGFR. We aimed to elucidate their potential by employing a comprehensive array of in silico methodologies, including molecular docking, pharmacokinetics profiling, pharmacophore mapping, molecular dynamic simulations, and MMPBSA analysis. Remarkably, our results demonstrate that our designed molecules adhere to Lipinski's rule and comply with essential physiochemical and druggable properties, affirming the promise of these compounds. Ligand MS60 emerges as a lead, showcasing the most substantial interaction with the EGFR receptor, underscored by its impressive docking score of −8.199 kcal/mol. Furthermore, molecular dynamics simulations conducted via GROMACS corroborate the stability of the MS60‐EGFR complex, portraying minimal fluctuations. This assertion is further validated through MMPBSA, PCA analysis, DCCM, and FEL studies, underscoring the robustness of our findings. We have designed the pharmacophore model to unravel critical steric and electronic attributes essential for effective supramolecular interactions with the EGFR receptor. Notably, the presence of the R10, R11, and A4 groups within the ligands underscores their pivotal role in eliciting pharmacological activity, offering valuable insights for further exploration and development.
ZnMn2O4‐BiVO4 as Photocatalyst for Degradation of Gaseous HCHO Using Daylight
Authors: Wua Peiying , Attarde Sanjay , Lu Chia‐Chen , Wu Ren‐Jang , Fegade Umesh , Kolate Sachin , Patil Nilima , Altalhi Tariq 
Published: August 2024

AbstractFormaldehyde (HCHO) is a common indoor air pollutant. Due to its proven carcinogenicity, reducing indoor HCHO levels is a significant issue. In this study, a composite material consisting of zinc manganese oxide and BiVO4 was used as a photocatalyst for HCHO degradation. ZnMn2O4‐BiVO4 has efficient photocatalytic performance, wide application areas, high stability, and low‐cost advantages, making the substance a potentially useful photocatalyst that can be applied in fields such as energy conversion and environmental protection. BiVO4 was prepared by a hydrothermal method. It was further compounded with zinc manganese oxide to form composite as catalysts of different wt % ratios for photodegradation of HCHO using a fluorescent lamp as light source. The samples were characterized by using XRD, UV‐visible spectrometer, TEM, SEM, and photoluminescence spectrometry. The experimental data showed that 5.0 wt % zinc manganese oxide‐BiVO4 as catalyst had the highest HCHO degradation rate. The release of carbon dioxide and water increased the irradiation time. The degradation rate of HCHO was higher than that achieved with commercially available titanium oxide. The highest HCHO degradation rate was 66 % within 4 h.
Recent Developments in Fullerene‐Based Materials for Photocatalytic Applications in Wastewater Treatment and Water Splitting
Authors: Ishaq Tehmeena , Kanwal Aqeela , Sattar Rabia 
Published: August 2024

AbstractThe use of semiconductor‐based photocatalytic methods has been widespread for a range of applications, including pollution control and energy generation. However, certain analytical concerns limit the effectiveness of these photocatalysts, such as their limited light absorption capacity, physicochemical instability, and large energy band gap. To address these issues, scientists have been exploring integrating carbonaceous materials into photocatalytic systems to enhance their activity. This review focuses specifically on fullerene photocatalysts, a type of carbonaceous photocatalyst that has shown great promise in recent research. Fullerenes, which include C60 and C70, have unique properties that make them ideal for use as photocatalyst amplifiers in combination with other semiconductors or non‐semiconductors. This review summarizes recent research into the use of fullerene‐based materials for a variety of photocatalytic applications, including pollutant degradation, and hydrogen energy production. The efficacy of fullerene‐based photocatalysts is also discussed in recent breakthroughs in photocatalytic mechanisms and synthesis methods, focusing on pollution removal and hydrogen generation. Finally, the review addresses ongoing challenges and opportunities for fullerene‐based photocatalysts. The goal is to contribute to advancements in environmental protection and energy generation.
Novel Closed‐Form Point Estimators for a Weighted Exponential Family Derived From Likelihood Equations
Authors: Vila Roberto , Nakano Eduardo , Saulo Helton 
Published: August 2024

ABSTRACTIn this paper, we propose and investigate closed‐form point estimators for a weighted exponential family. We also develop a bias‐reduced version of these proposed closed‐form estimators through bootstrap methods. Estimators are assessed using a Monte Carlo simulation, revealing favourable results for the proposed bootstrap bias‐reduced estimators. We illustrate the proposed methodology with the use of two real data sets.
Structure of Agriculture
Authors: Hansen Henning Otte 
Published: August 2024

AbstractDevelopment and trends in agriculture often reflect a changed structure: Fewer, larger and more specialized farms are pervasive trends in agricultural development—at least in high-income countries. The structure of agriculture and not least the structural development are visible signs of a changing industry. Structural development in agriculture can be defined and described in many different ways: the total number and size of the individual farms, specialization, concentration, types of ownership, vertical integration, globalization and farmer demographics. Clear global trends in the structural development of agriculture can generally be observed. However, in certain areas, there are significant differences in the development between low- and high-income countries.
Food Value Chains
Authors: Hansen Henning Otte 
Published: August 2024

AbstractThe food value chain is a vertical axis connecting or coordinating supplying, producing, processing and selling the food from farm to table. This chapter describes the structure and integration in the value chain and the respective position of companies in the value chain and their market power. The concepts of value chain and megatrends are connected. Value chains develop and change—often influenced by or as a consequence of megatrends. The balance of market and bargaining power in the value chain shifts: The forms of integration in the value chain develop and change. Furthermore, global value chains are becoming more important. A significant structural development of the retail industry is taking place in terms of increasing consolidation, concentration and globalization.
Idempotents and homology of diagram algebras
Authors: Boyde Guy 
Published: August 2024

Abstract
This paper provides a systematization of some recent results in homology of algebras. Our main theorem gives criteria under which the homology of a diagram algebra is isomorphic to the homology of the subalgebra on diagrams having the maximum number of left-to-right connections. From this theorem, we deduce the ‘invertible-parameter’ cases of the Temperley–Lieb and Brauer results of Boyd–Hepworth and Boyd–Hepworth–Patzt. We are also able to give a new proof of Sroka’s theorem that the homology of an odd-strand Temperley–Lieb algebra vanishes, as well as an analogous result for Brauer algebras and an interpretation of both results in the even-strand case. Our proofs are relatively elementary: in particular, no auxiliary chain complexes or spectral sequences are required. We briefly discuss the relationship to cellular algebras in the sense of Graham–Lehrer.
Mating Assay: Plating Below a Cell Density Threshold is Required for Unbiased Estimation of Plasmid Conjugation Frequency of RP4 Transfer Between E. coli Strains
Authors: He Zhiming , Smets Barth F. , Dechesne Arnaud 
Published: August 2024

AbstractMating assays are common laboratory experiments for measuring the conjugation frequency, i.e. efficiency at which a plasmid transfers from a population of donor cells to a population of recipient cells. Selective plating remains a widely used quantification method to enumerate transconjugants at the end of such assays. However, conjugation frequencies may be inaccurately estimated because plasmid transfer can occur on transconjugant-selective plates rather than only during the intended mating duration. We investigated the influence of cell density on this phenomenon. We conducted mating experiments with IncPα plasmid RP4 harbored in Escherichia coli at a fixed cell density and mating conditions, inoculated a serial dilution of the mating mixture on transconjugant-selective plates or in transconjugant-selective broth, and compared the results to a model of cell-to-cell distance distribution. Our findings suggest that irrespective of the mating mode (liquid vs solid), the enumeration of transconjugants becomes significantly biased if the plated cell density exceeds 28 Colony Forming Unit (CFU)/mm2 (or 1.68•105 CFU/standard 9 cm Petri dish). This threshold is determined with a 95% confidence interval of ± 4 CFU/mm2 (± 2.46•104 CFU/standard 9 cm Petri dish). Liquid mating assays were more sensitive to this bias because the conjugation frequency of RP4 is several orders of magnitude lower in suspension compared to surface mating. Therefore, if selective plating is used, we recommend to plate at this density threshold and that negative controls are performed where donors and recipients are briefly mixed before plating at the same dilutions as for the actual mating assay. As an alternative, a liquid enumeration method can be utilized to increase the signal-to-noise ratio and allow for more accurate enumeration of transconjugants.
MTHFR polymorphisms and vitamin B12 deficiency: correlation between mthfr polymorphisms and clinical and laboratory findings
Authors: Giammarco Sabrina , Chiusolo Patrizia , Maggi Roberto , Rossi Monica , Minnella Gessica , Metafuni Elisabetta , D’Alò Francesco , Sica Simona 
Published: August 2024

AbstractVitamin B12 deficiency is a common condition that causes a variety of disorders ranging from the development of megaloblastic anemia to the building up of neurological damage. Historically one of the leading causes of B12 deficiency appears to be secondary to malabsorption in part caused by the development of atrophic gastritis in pernicious anemia. More recently B12 deficiency could also depend on dietary restrictions. Cobalamin deficiency also appears to be closely related to folate metabolism, causing a reduction in methionine synthase activity. This results in the accumulation of 5-methyltetrahydrofolate (5-MTHF) and defective DNA synthesis. It has been hypothesized that reduced activity of the enzyme methylene-tetrahydrofolate reductase (MTHFR) could reduce the production of 5-MTHF, thereby shifting folate metabolism to thymidylate synthesis and promoting proper DNA synthesis. Our aim was to investigate the role of the C677T and A1298C MTHFR gene polymorphisms, which are associated with reduced enzyme activity, in predisposing to the development of anemia, neurological symptoms, and atrophic gastritis in a population of 105 consecutive Italian patients with cobalamin deficiency. We found statistically significant correlations between the degree of anemia and thrombocytopenia and the C677T MTHFR polymorphism, while hemoglobin levels alone significantly correlated with A1298C polymorphism, contradicting the potential protective role of these polymorphisms. Furthermore, in patients with atrophic gastritis, we found an association between the absence of parietal cell antibodies and the presence of the C677T polymorphism in homozygosity. Our results suggest a role for MTHFR enzyme activity in the severity of hematologic manifestations of vitamin B12 deficiency and as an independent mechanism of predisposition to the development of atrophic gastritis.
Superior osmotic stress tolerance in oilseed rape transformed with wild-type Rhizobium rhizogenes
Authors: Chen Xuefei , Lütken Henrik , Liang Kehao , Liu Fulai , Favero Bruno Trevenzoli 
Published: August 2024

Abstract
Key message
Natural transformation with R. rhizogenes enhances osmotic stress tolerance in oilseed rape through increasing osmoregulation capacity, enhancing maintenance of hydraulic integrity and total antioxidant capacity.

Abstract
Transformation of plants using wild strains of agrobacteria is termed natural transformation and is not covered by GMO legislation in, e.g., European Union and Japan. In this study, offspring lines of Rhizobium rhizogenes naturally transformed oilseed rape (Brassica napus), i.e., A11 and B3 (termed root-inducing (Ri) lines), were investigated for osmotic stress resilience. Under polyethylene glycol 6000 (PEG) 10% (w/v)-induced osmotic stress, the Ri lines, particularly A11, had less severe leaf wilting, higher stomatal conductance (8.2 times more than WT), and a stable leaf transpiration rate (about 2.9 mmol m−2 s−1). Although the leaf relative water content and leaf water potential responded similarly to PEG treatment between the Ri lines and WT, a significant reduction of the turgid weight to dry weight ratio in A11 and B3 indicated a greater capacity of osmoregulation in the Ri lines. Moreover, the upregulation of plasma membrane intrinsic proteins genes (PIPs) in roots and downregulation of these genes in leaves of the Ri lines implied a better maintenance of hydraulic integrity in relation to the WT. Furthermore, the Ri lines had greater total antioxidant capacity (TAC) than the WT under PEG stress. Collectively, the enhanced tolerance of the Ri lines to PEG-induced osmotic stress could be attributed to the greater osmoregulation capacity, better maintenance of hydraulic integrity, and greater TAC than the WT. In addition, Ri-genes (particularly rolA and rolD) play roles in response to osmotic stress in Ri oilseed rape. This study reveals the potential of R. rhizogenes transformation for application in plant drought resilience.
Physical modeling of conjugate heat transfer for multiregion and multiphase systems with the Volume-of-Fluid method
Authors: Kind Johannes , Sielaff Axel , Stephan Peter 
Published: August 2024

AbstractThe Volume-of-Fluid (VOF) method is commonly used for numerical simulations of phase change phenomena, such as nucleate boiling or droplet evaporation. A key issue with the standard VOF method is the averaging of the liquid and vapor properties in interface cells, which causes non-physical conjugate heat transfer with a solid wall. Therefore, we aim at a physical model for conjugate heat transfer between a solid and a multiphase fluid. The first measure for higher quality simulations is the splitting of the single temperature field in the fluid region into separate liquid and vapor temperature fields. The second measure is the development of a new, more physical temperature boundary condition for conjugate heat transfer between a solid region and a multiphase fluid, based on experimental results, theoretical models and theoretical considerations. In interface cells, the vapor phase is excluded from the conjugate heat transfer because only heat transfer to the liquid phase occurs resp. dominates. Additionally, the conjugate heat transfer between solid and liquid in the interface cells is performed with virtual subcells, depending on the respective volume fraction of the liquid phase. This new approach (we name it distinctive approach) is successfully validated for energy conservation, and stability issues are discussed for the first time. Significant differences to simulations with averaged properties are observed due to the (now) physically correct modeling of conjugate heat transfer. In our boiling cases, the more accurate numerical simulations lead to considerably larger bubble growth rates. Higher quality simulations are also expected for nearly all applications, where there is a three-phase contact line, be it vapor bubbles in nucleate boiling or droplets impacting on a heated surface.
Impact of Frailty on Post-Treatment Dysphagia in Patients with Head and Neck Cancer
Authors: Hurtado-Oliva Javier , van der Laan Hans Paul , de Vries Julius , Steenbakkers Roel J. H. M. , Halmos Gyorgy B. , Wegner Inge 
Published: August 2024

AbstractIn the rising and frail head and neck cancer (HNC) population, geriatric assessments are crucial. Frail HNC patients often experience dysphagia. The coexistence of dysphagia and frailty presents complex health challenges, however, there is limited evidence on the prognostic value of frailty on post-treatment dysphagia. This study explores the relationship between pre-treatment frailty status and post-treatment dysphagia in HNC patients. A retrospective data analysis from the OncoLifeS data-biobank at the University Medical Center Groningen of 242 patients diagnosed with HNC between 2014 and 2016. The study involved several physical, functional and psychological pre-treatment geriatric assessments, and frailty screening using the Groningen Frailty Indicator (GFI) and the Geriatric-8 screening tool (G8). Outcome measures were swallowing-related quality of life (HNSW-QoL) and toxicity-related dysphagia evaluations (CTCAE-D) at 3, 6, 12 and 24 months. Linear mixed-effects models assessed factors associated with HNSW-QoL and CTCAE-D. Frail patients consistently reported worse HNSW-QoL and CTCAE-D than non-frail patients over time, with symptoms increasing at 3 months, but gradually decreasing by 24 months. Frailty status (G8 or GFI) was a significant predictor for lower HNSW-QoL (β = 11.770 and 10.936, both p < 0.001), and lower CTCAE-D (β = 0.245, p = 0.058; β = 0.331, p = 0.019), respectively. In this study, frailty was found to be associated with a worse of swallowing-related quality of life, and with increased toxicity-related dysphagia. These findings provide insights for the identification of HNC patients at higher risk of post-treatment swallowing-related issues, and offer opportunities for optimizing their post-treatment swallowing outcomes.
Assessing the impact of climate change and reservoir operation on the thermal and ice regime of mountain rivers using the XGBoost model and wavelet analysis
Authors: Fukś Maksymilian , Kędra Mariola , Wiejaczka Łukasz 
Published: August 2024

AbstractThis study presents an analysis of the influence of climatic conditions and the operation of a dam reservoir on the occurrence of ice cover and water temperature in two rivers (natural and transformed by reservoir operations) located in the Carpathian Mountains (central Europe). The analyses are based on data obtained from four hydrological and two climatological stations. The Extreme Gradient Boosting (XGBoost) machine learning model was used to quantitatively separate the effects of climate change from the effects arising from the operation of the dam reservoir. An analysis of the effects of reservoir operation on the phase synchronization between air and river water temperatures based on a continuous wavelet transform was also conducted. The analyses showed that there has been an increase in the average air temperature of the study area in November by 1.2 °C per decade (over the period 1984–2016), accompanied by an increase in winter water temperature of 0.3 °C per decade over the same period. As water and air temperatures associated with the river not influenced by the reservoir increased, there was a simultaneous reduction in the duration of ice cover, reaching nine days per decade. The river influenced by the dam reservoir showed a 1.05 °C increase in winter water temperature from the period 1994–2007 to the period 1981–1994, for which the operation of the reservoir was 65% responsible and climatic conditions were 35% responsible. As a result of the reservoir operation, the synchronization of air and water temperatures was disrupted. Increasing water temperatures resulted in a reduction in the average annual number of days with ice cover (by 27.3 days), for which the operation of the dam reservoir was 77.5% responsible, while climatic conditions were 22.5% responsible.
Spontaneous spinal hematomas: A case series
Authors: Albrecht Carolin , Boeckh-Behrens Tobias , Schwarting Julian , Wostrack Maria , Meyer Bernhard , Joerger Ann-Kathrin 
Published: August 2024

Abstract

Purpose
Spontaneous spinal hematoma (SSH), a rare neurological disorder, demands immediate diagnostic evaluation and intervention to prevent lasting deficits. This case series analyzes instances, particularly highlighting cases where vascular causes were identified despite inconclusive initial imaging.

Methods
In a retrospective study of 20 patients treated for SSH at a Level I spine center from 01/01/2017 to 11/15/2023, we examined demographics, clinical presentation, imaging, and treatment details. Excluding traumatic cases, we present 4 instances of SSH associated with diverse vascular pathologies.

Results
Patient ages ranged from 39 to 85 years, with a median age of 66 years. 45% were male, and 55% were female. Among 20 cases, 14 were epidural hematomas, 4 subdural, 1 combined epidural and subdural, and 1 subarachnoid hemorrhage. 85% presented with neurological deficits, while 3 solely had pain-related symptoms. 55% were under anticoagulant medication, and vascular anomalies were found in 25% of cases. The cause of SSH remained unclear in 20% of cases. MRI was performed for all patients, and DSA was conducted in 25% of cases. The 4 highlighted cases involved individuals with distinct vascular pathologies managed surgically.

Conclusion
Urgent attention is crucial for SSH due to possible lasting neurological consequences. The study emphasizes comprehensive diagnostics and surgical exploration, especially in cases with unclear etiology, to identify and address vascular causes, preventing hematoma progression or recurrence. Despite their rarity, vascular malformations contributing to spinal hematomas warrant particular attention.
Laser-patterning bacterial nanocellulose for cell-controlled interaction
Authors: Costa Lígia , Carvalho Alexandre F. , Silva-Carvalho Ricardo , Rodrigues Ana Cristina , Dourado Fernando , Deuermeier Jonas , Neto Miguel A. , Fernandes António J. S. , Gama Miguel , Costa Florinda M. 
Published: August 2024

AbstractThe interfacial topography of biomaterials has been identified as a major biophysical regulator of cell behavior and function, a role played through the interplay with biochemical cues. In this work, we demonstrate the potential of laser as a versatile technology for the direct fine-tuning of the topography of Bacterial nanocellulose (BNC) with bioinspired topographies and micropatterns on a cell size scale. Two lasers were used, with different wavelengths—IR (CO2, 10600 nm) and UV (tripled Nd: YVO4, 355 nm) —attempting to reproduce the Pitcher-plant topography and to create cell-contact guidance patterns, respectively. Different topographies with parallel grooves featuring a 20–300 μm period were generated on the BNC surface with high fidelity and reliability of the generated microstructures, as demonstrated by 3D optical profilometry and scanning electron microscopy. Moreover, it was demonstrated by X-ray photoelectron spectroscopy that laser processing does not result in detectable chemical modification of BNC. The developed anisotropic microstructures can control cell behavior, particularly regarding morphology, alignment, and spatial distribution. Thus, this proof-of-concept study on the high-resolution laser patterning of BNC opens new perspectives for the development of cell-modulating laser-engineered BNC interfaces, scaffolds, and other advanced medical devices, which can potentially broaden the application of BNC in the biomedical field.