bluuebunny/crossref_metadata_2025 huggingface dataset:
From Hive to Highway: Waste Honeycombs as a Sustainable Modifier for Asphalt Binder Formulations in South Korea
Authors: Nciri Nader , Kim Namho
Published: October 2023

Navigating the crossroads of sustainable infrastructure and innovative waste management, this research unveils the potential of waste honeycombs (WHCs)—an overlooked byproduct of apiculture—as a potent modifier for asphalt binder formulations. This endeavor addresses the dual challenge of enhancing road pavement sustainability and mitigating environmental degradation. A meticulous methodology evaluated the impact of varying WHC concentrations (5, 10, and 15 wt.%) on the asphalt binder, examining its attributes pre- and post-aging. Employing an array of analytical tools—thin-layer chromatography-flame ionization detection (TLC-FID); Fourier transform-infrared spectroscopy (FT-IR); scanning electron microscopy (SEM); thermogravimetric analysis (TGA); and a suite of conventional tests such as penetration, softening point, viscosity, ductility, dynamic shear rheometer (DSR), and multiple stress-creep recovery (MSCR)—provided a comprehensive insight into the binder’s behavior. TLC-FID analyses revealed that WHC, with its 92 wt.% resin content, altered the SARA profile across distinct aging conditions, notably reducing asphaltene content, a factor linked to binder stiffness. The colloidal instability index (IC) further attested to this, pointing to a more thermodynamically stable system with WHC’s inclusion. Meanwhile, FT-IR confirmed a physical interaction between WHC and asphalt without introducing new chemical entities. SEM observations highlighted the superior miscibility of WHC with asphalt, evidenced by a unique microtexture. With marked precision, TGA assessments unveiled a bolstering of asphalt’s inherent thermal resilience consequent to a minor WHC integration. From the conventional tests, shifts in penetration, softening point, and viscosity were observed, with reduced viscosity, indicating improved workability. Lastly, while rutting potential was sensitive to WHC concentrations, fatigue resistance notably heightened with minor to moderate WHC inclusions. In essence, this pioneering study advocates for WHC’s integration into asphalt formulations, offering enhanced road performance coupled with sustainable waste utilization. The findings underscore the synergy between environmental stewardship and infrastructural advancement.
Preparation, Characterization, and Antibacterial Properties of Cu-Fibreboards
Authors: Aleksandrov Lyubomir , Rangelova Nadezhda , Lazarova-Zdravkova Nevena , Georgieva Nelly , Dragnevska Mirela , Nenkova Sanchi
Published: October 2023

In the present study, copper modified fibreboards were prepared and their existing phase, morphology, and antibacterial behaviour were investigated. The copper content and the physical and mechanical properties of fibreboards (thickness, bending strength, and swelling) were determined. X-ray diffraction analysis (XRD) showing diffraction peaks typical for cellulose, Cu2S, and Na2SO4, depended on the preparation conditions. The average size of the Cu2S crystals varied between 20 and 50 nm. The morphology of the obtained fibreboards, as well as the size and shape of copper particles, were observed by scanning electron microscopy (SEM) and transition electron microscopy (TEM). The antibacterial activity was tested against Gram-positive (Bacillus subtilis 3562) and Gram-negative (Escherichia coli K12 407) bacteria. The tests showed that the materials had higher antibacterial activity against E. coli, which depended on their preparation conditions. Based on these results, the obtained copper fibreboards can be used as antibacterial agents in the packaging and building industry.
Exploration of Methodologies for Developing Antimicrobial Fused Filament Fabrication Parts
Authors: Pemas Sotirios , Xanthopoulou Eleftheria , Terzopoulou Zoi , Konstantopoulos Georgios , Bikiaris Dimitrios N. , Kottaridi Christine , Tzovaras Dimitrios , Pechlivani Eleftheria Maria
Published: October 2023

Composite 3D printing filaments integrating antimicrobial nanoparticles offer inherent microbial resistance, mitigating contamination and infections. Developing antimicrobial 3D-printed plastics is crucial for tailoring medical solutions, such as implants, and cutting costs when compared with metal options. Furthermore, hospital sustainability can be enhanced via on-demand 3D printing of medical tools. A PLA-based filament incorporating 5% TiO2 nanoparticles and 2% Joncryl as a chain extender was formulated to offer antimicrobial properties. Comparative analysis encompassed PLA 2% Joncryl filament and a TiO2 coating for 3D-printed specimens, evaluating mechanical and thermal properties, as well as wettability and antimicrobial characteristics. The antibacterial capability of the filaments was explored after 3D printing against Gram-positive Staphylococcus aureus (S. aureus, ATCC 25923), as well as Gram-negative Escherichia coli (E. coli, ATCC 25922), and the filaments with 5 wt.% embedded TiO2 were found to reduce the viability of both bacteria. This research aims to provide the optimal approach for antimicrobial and medical 3D printing outcomes.
Experimental Study and Numerical Analysis of the Seismic Performance of Glass-Fiber Reinforced Plastic Tube Ultra-High Performance Concrete Composite Columns
Authors: Tan Xiaopeng , Zhu Mingqiao , Liu Wanli
Published: October 2023

To investigate the impact of the filament winding angle of glass-fiber reinforced plastic (GFRP) on the seismic behavior of GFRP tube ultra-high performance concrete (UHPC) composite columns, this study designs two types of GFRP tube UHPC composite columns. Quasi-static tests are conducted on the specimens subjected to horizontal reciprocating load and axial force, and the skeleton curve characteristics of the structure are analyzed. Furthermore, a finite element analysis model of the composite column is established to explore the effects of the diameter-thickness ratio, circumferential elastic modulus of confined tubes, and tensile strength of concrete on the seismic performance of the composite column. The analysis includes a review of the skeleton curve, energy dissipation capacity, and stiffness degradation of the structure under different designs. The results indicate that the use of GFRP tubes effectively enhances the seismic performance of UHPC columns. The failure mode, peak load, and peak displacement of the composite columns are improved. The finite element analysis results are in good agreement with the experimental results, validating the effectiveness of the analysis model. Extended analysis reveals that the bearing capacity of the specimen increases while the energy dissipation capacity decreases with a decrease in the diameter-thickness ratio and an increase in the circumferential elastic modulus. Although the tensile strength of concrete has some influence on the seismic performance of the specimen, its effect is relatively small. Through regression analysis, a formula for shear capacity suitable for GFRP tube UHPC composite columns is proposed. This formula provides a theoretical reference for the design and engineering practice of GFRP tube UHPC composite columns.
The Electrochemical Actuation Performances of Nanoporous Ternary AlCoCu Alloy with a Unique Nanosheet Structure
Authors: Chen Xiao , Tan Fuquan , Wang Jianfeng , Zhao Kunpeng , Wang Yaoguang , Zhang Jie , Liu Haixia
Published: October 2023

Compared to traditional actuators (such as piezoelectric ceramics), metal actuators possess the advantages of a low energy consumption, large strain amplitude, and high strain energy density. However, most of the existing metal actuators with an excellent comprehensive performance are composed of precious metals, which are limited by high costs and have almost no possibility for large-scale production in the future. This study focuses on non-precious metal materials and exploits a one-step chemical dealloying method to prepare bulk nanoporous (NP) CoCuAl actuators (NP-CCA) from Al70Co20Cu10 alloy. The microstructure and actuation properties of the NP-CCA were analyzed in detail. The dense continuous nanoscale pores provide an excellent network connectivity for a large strain response, enabling the NP-CCA to achieve a strain amplitude of up to 1.19% (more than eight and two times that of NP-Pt and NP-Ag, respectively), comparable to precious metal actuators. In addition, the NP-CCA possesses a high strain energy density, which is prominent in many precious metal actuation materials (such as NP-Au, NP-Ag, and NP-Pt).
Variability of the Conductance Changes Associated with the Change in the Spin State in Molecular Spin Crossover Complexes
Authors: Zaz M. Zaid , Ekanayaka Thilini K. , Cheng Ruihua , Dowben Peter A.
Published: October 2023

Here, we examine the conductance changes associated with the change in spin state in a variety of different structures, using the example of the spin crossover complex [Fe(H2B(pz)2)2(bipy)] (pz = (pyrazol-1-yl)-borate and bipy = 2,2′-bipyridine) and [Fe(Htrz)2(trz)](BF4)] (Htrz = 1H-1,2,4-triazole) thin films. This conductance change is highly variable depending on the mechanism driving the change in spin state, the substrate, and the device geometry. Simply stated, the choice of spin crossover complex used to build a device is not the only factor in determining the change in conductance with the change in spin state.
Estimates of the Convergence Rate in the Generalized Rényi Theorem with a Structural Digamma Distribution Using Zeta Metrics
Authors: Kudryavtsev Alexey , Shestakov Oleg
Published: October 2023

This paper considers a generalization of the Rényi theorem to the case of a structural distribution with a scale parameter. In terms of the zeta metric, some estimates of the convergence rate in the generalized Rényi theorem are obtained when the structural mixed Poisson distribution of the summation index is a scale mixture of the generalized gamma distribution. Estimates of the convergence rate for the structural digamma distribution are given as a special case. The paper extends the results previously obtained for the generalized gamma distribution.
Optimal Bandwidth Selection Methods with Application to Wind Speed Distribution
Authors: Gündüz Necla , Karakoç Şule
Published: October 2023

Accurate estimation of the unknown probability density functions of critical variables, such as wind speed—which plays a pivotal role in harnessing clean energy—is essential for various scientific and practical applications. This research conducts a comprehensive comparative analysis of seven distinct bandwidth calculation techniques across various normal distributions, using simulation as the evaluation method in the context of Kernel Density Estimation (KDE). This analysis includes the calculation of the optimal bandwidth and assessment of the performance of these methods with respect to Mean Squared Error (MSE), bias, and the optimal bandwidth value. The findings reveal that among the various bandwidth methods evaluated, the Bandwidth bandwidth-based Cross-Validation (BCV), especially for small sample sizes, consistently provides the closest result to the optimal bandwidth across most of the applied normal distributions. These results provide valuable insights into the selection of optimal bandwidths for accurate and reliable density estimation in the context of normal distributions. Another key aspect of this work is the extension of these methods to wind speed data in a specific region. Monthly wind speed kernel density estimates obtained using all seven bandwidth selection techniques show that Smoothed Cross-Validation (SCV) is suited for this type of real-world data.
Development of Bi- and Tri-Layer Nanofibrous Membranes Based on the Sulfated Polysaccharide Carrageenan for Periodontal Tissue Regeneration
Authors: Kikionis Stefanos , Iliou Konstantina , Karra Aikaterini G. , Polychronis Georgios , Choinopoulos Ioannis , Iatrou Hermis , Eliades George , Kitraki Efthymia , Tseti Ioulia , Zinelis Spiros , Ioannou Efstathia , Roussis Vassilios
Published: October 2023

Periodontitis is a microbially-induced inflammation of the periodontium that is characterized by the destruction of the periodontal ligament (PDL) and alveolar bone and constitutes the principal cause of teeth loss in adults. Periodontal tissue regeneration can be achieved through guided tissue/bone regeneration (GTR/GBR) membranes that act as a physical barrier preventing epithelial infiltration and providing adequate time and space for PDL cells and osteoblasts to proliferate into the affected area. Electrospun nanofibrous scaffolds, simulating the natural architecture of the extracellular matrix (ECM), have attracted increasing attention in periodontal tissue engineering. Carrageenans are ideal candidates for the development of novel nanofibrous GTR/GBR membranes, since previous studies have highlighted the potential of carrageenans for bone regeneration by promoting the attachment and proliferation of osteoblasts. Herein, we report the development of bi- and tri-layer nanofibrous GTR/GBR membranes based on carrageenans and other biocompatible polymers for the regeneration of periodontal tissue. The fabricated membranes were morphologically characterized, and their thermal and mechanical properties were determined. Their periodontal tissue regeneration potential was investigated through the evaluation of cell attachment, biocompatibility, and osteogenic differentiation of human PDL cells seeded on the prepared membranes.
Reliability and Validity of Kansas City Cardiomyopathy Questionnaire in Arabic Patients with Chronic Heart Failure
Authors: Albarrati Ali M. , Altimani Rayan , Almogbel Osama , Alnahdi Ali H. , Almurdi Muneera M. , Abuammah Aliah , Nazer Rakan
Published: October 2023

Background: The Kansas City Cardiomyopathy Questionnaire (KCCQ) is the most specific and widely used questionnaire for assessing health-related quality of life (HRQoL) in chronic heart failure (CHF). This study aimed to examine reliability and validity of the KCCQ in Arabic patients with CHF. Material and Methods: Patients with CHF filled out the Arabic versions of the Minnesota Living with Heart Failure (MLHF) and KCCQ questionnaire, and performed a six-minute walk test (6MWT) on their first visit. On the return, the patients filled out the KCCQ along with the global rating of change (GRC) scale. Internal consistency, test–retest reliability, and construct validity were examined. Results: A total of 101 Arabic patients with CHF, with a mean (SD) age of 55 (11) years old, completed the study. The Cronbach’s alpha was 0.97, and the ICC2,1 = 0.95 (95%CI: 0.92 to 0.97, p < 0.001). The Arabic version of KCCQ was correlated with the MLHF (r = −0.57, p = 0.01) and with the 6MWT (r = 0.70, p < 0.001). Conclusions: The Arabic version of KCCQ is a reliable and valid measure of HRQoL, which could be utilized in routine clinical practice for Arabic-speaking patients with CHF.
Thyroid Disease and Systemic Lupus Erythematosus
Authors: Athanassiou Lambros , Kostoglou-Athanassiou Ifigenia , Kaiafa Georgia , Tsakiridis Pavlos , Koukosias Nikolaos , Mitsoulis Spyridon , Savopoulos Christos , Athanassiou Panagiotis
Published: October 2023

Background and Objectives: Thyroid disease has been associated with autoimmune disorders. As systemic lupus erythematosus (SLE) is a systemic autoimmune disease with diverse manifestations spanning across all organ systems, the relationship of SLE with thyroid disorders needs investigation. In particular, the relationship of SLE with autoimmune thyroid disease has attracted the interest of the research community. The aim was to evaluate the relationship of SLE with autoimmune thyroid disease. Materials and Methods: A cohort of 45 consecutive patients with a mean age of 47.97 years (range 21–79 years) and 45 age- and sex-matched controls were prospectively studied over a period of 12 months for the presence of thyroid disease and the prevalence of antithyroid antibodies. Results: Four patients (8.9%) were found to suffer from primary hypothyroidism, five (11.11%) from subclinical hypothyroidism and one (2.22%) from hyperthyroidism, whereas one (2.22%) of the controls had primary hypothyroidism and one (2.22%) had hyperthyroidism. Five patients (11.11%) had a thyroid hormone profile that was compatible with the presence of euthyroid sick syndrome. Thyroid peroxidase (TPOab) and thyroglobulin (Tgab) antibodies were detected in 20/45 and 15/45 of the SLE population and in 7/45 and 5/45 of the controls, respectively (p < 0.05, chi-square test). Conclusions: In conclusion, the incidence of clinical thyroid disease is greater amongst SLE patients than in a control population, and in a significant number of these patients, antithyroid antibodies are detectable. Thus, a subset of lupus patients appears to be predisposed to the development of thyroid disease, and this should be considered when evaluating patients with SLE.
Replacing Potassium in the Emergency Department May Not Decrease the Hospital Mortality in Mild Hypokalemia: A Propensity Score Matching Analysis
Authors: Wongtanasarasin Wachira , Meelarp Nattikarn
Published: October 2023

Background: Hypokalemia is associated with considerable morbidity and mortality, highlighting the timely correction of potassium levels as a critical medical consideration. However, the management of mild hypokalemia remains a subject of ongoing debate. This study explores the relationship between potassium replacement in the emergency department (ED) and hospital mortality in patients with mild hypokalemia. Methods: This retrospective cohort study was conducted at a tertiary care hospital, including patients who presented to the ED with mild hypokalemia, defined as potassium levels between 3.0 and 3.4 mmol/L, between 2020 and 2021. Patients diagnosed with acute coronary syndrome, diabetic ketoacidosis, hyperglycemic hyperosmolar state, and major cardiac arrhythmias were excluded. The patient cohort was then divided into two groups, based on whether they received potassium replacement in the ED. A propensity score analysis was employed to account for potential pretreatment confounding factors, including age, gender, time on ED arrival, insurance, comorbidities, serum potassium and creatinine levels, and ED length of stay. Subsequently, a multivariable logistic regression analysis, incorporating hospital length of stay and acute comorbidities, was performed post-matching to further adjust for predictive factors. The primary outcome was all-cause hospital mortality. Results: This study included a total of 1931 patients, of which 724 were matched for analysis (362 with potassium replacement and 362 without). The average age was 53.9 years, and most were male (58.5%). After adjusting for confounding factors using propensity score analysis, there was no significant difference in hospital mortality between the potassium replacement and control groups (adjusted odds ratio 0.81, 95% CI 0.36–1.79, p = 0.60). Conclusions: This study’s findings indicate that replacing potassium in the ED may not lower the risk of hospital mortality in patients with mild hypokalemia. Consequently, the customary practice of potassium replacement in hospitalized patients may lack justification, and deferring the replacement until after patients leave the ED could be considered.
Epidemiological Profile of Ophir Loyola Cancer Hospital: A Snapshot of the Incidence of Solid Neoplasms in the Eastern Amazon
Authors: Chaves Juliana Ramos , Otake Mateus Itiro Tamazawskas , Alcantara Diego Di Felipe Ávila , Lima Rosilene Silva , de Souza Ana Paula Borges , da Costa Rodrigues Janaina Silva , Imbiriba Margareth Maria Braun Guimarães , Burbano Rommel Mario Rodriguez
Published: October 2023

Background: Solid neoplasms have a heterogeneous incidence worldwide and in Brazil. Thus, the region delimited by the Legal Amazon has a distinct epidemiological profile. In Pará, Ophir Loyola Cancer Hospital(OLCH) accounts for 71.11% of hospital visits in the state. Methods: This was an ecological, exploratory, and mixed descriptive studythat investigated the epidemiological profile of patients with cancer treated at OLCH from January to December 2020. Sociodemographic data at admission were the primary variables, which were analyzed according to spatial distribution. Results: In this study, the data of 2952 patients were analyzed, with the majority being between the ages of 50 and 79 years (62.47%), female (59.49%), and diagnosed but without previous treatment (87.30%). The most common cancers were breast (16.50%), cervical (13.40%), stomach (8.98%), and prostate (7.72%). Of the 12 integration regions, Guajará had the highest number of referrals (49.86%), followed by Guamá (12.94%) and Caeté River (8.98%). Conclusion: The profile of care at OLCH showed a high incidence of solid malignancies compared to that in other regions of Brazil, indicating environmental and sociocultural influences on the carcinogenic profile present in the eastern Amazon.
Effect of Noncircular Channel on Distribution of Threshold Voltage in 3D NAND Flash Memory
Authors: Go Donghyun , Yoon Gilsang , Park Jounghun , Kim Donghwi , Kim Jiwon , Kim Jungsik , Lee Jeong-Soo
Published: October 2023

The instability in threshold voltage (VTH) and charge distributions in noncircular cells of three-dimensional (3D) NAND flash memory are investigated. Using TCAD simulation, we aim to identify the main factors influencing the VTH of noncircular cells. The key focus is on the nonuniform trapped electron density in the charge trapping layer (CTL) caused by the change in electric field between the circular region and the spike region. There are less-trapped electron (LT) regions within the CTL of programmed noncircular cells, which significantly enhances current flow. Remarkably, more than 50% of the total current flows through these LT regions when the spike size reaches 15 nm. We also performed a comprehensive analysis of the relationship between charge distribution and VTH in two-spike cells with different heights (HSpike) and angles between spikes (θ). The results of this study demonstrate the potential to improve the reliability of next-generation 3D NAND flash memory.
High-Bandwidth Repetitive Trajectory Tracking Control of Piezoelectric Actuators via Phase–Hysteresis Hybrid Compensation and Feedforward–Feedback Combined Control
Authors: Yuan Jie , Wu Haitao , Qin Yanding , Han Jianda
Published: October 2023

Piezoelectric actuators (PEAs) are widely used in many nano-resolution manipulations. A PEA’s hysteresis becomes the main factor limiting its motion accuracy. The distinctive feature of a PEA’s hysteresis is the interdependence between the width of the hysteresis loop and the frequency or rate of the control voltage. Generally, the control voltage is first amplified using a voltage amplifier (VA) and then exerted on the PEA. In this VA-PEA module, the linear dynamics of the VA and the nonlinearities of the PEA are coupled. In this paper, it is found that the phase lag of the VA also contributes to the rate dependence of the VA-PEA module. If only the PEA’s hysteresis is considered, it will be difficult to achieve high-frequency modeling and control. Consequently, great difficulties arise in high-frequency hysteresis compensation and trajectory tracking, e.g., in the fast scanning of atomic force microscopes. In this paper, the VA-PEA module is modeled to be the series connection of a linear subsystem and a nonlinear subsystem. Subsequently, a feedforward phase–dynamics compensator is proposed to compensate for both the PEA’s hysteresis and the phase lag of the VA. Further, an unscented Kalman-filter-based proportional–integral–derivative controller is adopted as the feedback controller. Under this feedforward–feedback combined control scheme, high-bandwidth hysteresis compensation and trajectory tracking are achieved. The trajectory tracking results show that the closed-loop trajectory tracking bandwidth has been increased to the range of 0–1500 Hz, exhibiting excellent performance for fast scanning applications.
A One-Bit Programmable Multi-Functional Metasurface for Microwave Beam Shaping
Authors: Zhang Wu , Lin Jiahan , Zheng Zitao , Gao Yusong , Tao Jifang , Shang Wenli , Zhang Meng
Published: October 2023

In this paper, we demonstrate a multi-functional metasurface for microwave beam-shaping application. The metasurface consists of an array of programmable unit cells, and each unit cell is integrated with one varactor diode. By turning the electrical bias on the diode on and off, the phase delay of the microwave reflected by the metasurface can be switched between 0 and π at a 6.2 GHz frequency, which makes the metasurface 1-bit-coded. By programming the 1-bit-coded metasurface, the generation of a single-focus beam, a double-focus beam and a focused vortex beam was experimentally demonstrated. Furthermore, the single-focus beam with tunable focal lengths of 54 mm, 103 mm and 152 mm was experimentally observed at 5.7 GHz. The proposed programmable metasurface manifests robust and flexible beam-shaping ability which allows its application to microwave imaging, information transmission and sensing applications.
Attenuated Replication-Competent Herpes Simplex Virus Expressing an ECM-Modifying Transgene Hyaluronan Synthase 2 of Naked Mole Rat in Oncolytic Gene Therapy
Authors: Palomäki Jussi , Kalke Kiira , Orpana Julius , Lund Liisa , Frejborg Fanny , Paavilainen Henrik , Järveläinen Hannu , Hukkanen Veijo
Published: October 2023

Herpes simplex virus (HSV) has proven successful in treating human cancer. Since the approval of talimogene laherparepvec (T-VEC) in 2015, HSV has been thoroughly researched to discover novel mechanisms to combat cancer and treat other diseases. Another HSV-based drug, beremagene geperpavec (B-VEC), received approval in 2023 to treat the rare genetic disease dystrophic epidermolysis bullosa, and was also the first clinically approved HSV vector carrying an extracellular matrix (ECM)-modifying transgene. The ECM is a network of macromolecules surrounding cells, which provides support and regulates cell growth and differentiation, the disruption of which is common in cancer. The naked mole rat (NMR) has a thick ECM and a unique mutation in the hyaluronan synthase 2 (HAS2) gene, which has been linked to the high cancer resistance of the species. To study the effect of this mutation in human cancer, we have developed an attenuated, replication-competent HSV vector expressing the NMR-HAS2 gene. The viral replication, transgene expression and cytotoxic effect of the novel vector was studied in glioma cells. Our results show that an attenuated, replication-competent HSV vector expressing a foreign ECM-modifying transgene, namely HAS2, provides an effective tool to study and combat cancer in humans.
Effects of Paleoregolith and Fault Offset on the Formation of Unconformity-Type Uranium Deposits
Authors: Qiu Hui , Lin Hua , Yang Jianwen
Published: October 2023

Regional paleoregolith is found to exist immediately below unconformities separating basin fills from basement rocks in sedimentary basins. However, the controlling role of paleoregolith on unconformity-type uranium mineralization has not been quantitatively addressed before. Coupled hydrothermal fluid flow and reactive mass transport modeling are therefore performed in this study by using the software TOUGHREACT. The modeling results reveal that preferential flow occurs in the regolith due to its relatively high permeability in comparison with that of the host rocks. The thicker the regolith is, the more concentrated the fluids in the footwall of a fault zone are, leading to more compact and higher-grade deposits therein, and vice versa. Also, displacement of the regolith caused by fault offset plays an important role, as it appears to control the shape of uranium deposits. When the displacement is less than 30 m, the deposits are characterized by a more compact shape. When the displacement is over 60 m, the deposits extend more laterally and even exhibit a ‘discrete’ shape due to the expelling effect of downslope flow that occurs at the fault offset site.
3D Mineral Prospectivity Mapping from 3D Geological Models Using Return–Risk Analysis and Machine Learning on Imbalance Data
Authors: Peng Qingming , Wang Zhongzheng , Wang Gongwen , Zhang Wengao , Chen Zhengle , Liu Xiaoning
Published: October 2023

Three-dimensional Mineral Prospectivity Mapping (3DMPM) is an innovative approach to mineral exploration that combines multiple geological data sources to create a three-dimensional (3D) model of a mineral deposit. It provides an accurate representation of the subsurface that can be used to identify areas with mineral potential. These 3D geological models are the typical data source for 3D prospective modeling. Geological data sets from multiple sources are used to construct 3D geological models. Since in practice there is a significant imbalance in the ratio of mineralized to non-mineralized classes, the classification results will be biased in favor of the more observed classes. Borderline-SMOTE (BLSMOTE) is an oversampling technique used to solve the problem of unbalanced datasets and works by generating synthetic data points along the boundary line between the minority and majority classes. This helps to create a more balanced dataset without introducing too much noise. Non-mineralized samples can be generated by randomly selecting non-mineralized locations, which means that uncertainties are generated. In this paper, we take the shallow-forming low-temperature hydrothermal deposit Guizhou Lannigou gold deposit as an example to extract the ore-controlling elements and establish a 3D geological model. A total of 50 training samples are generated using the sampling method described above, and 50 mineralization prospects are generated using Random Forests. A return–risk analysis was used to explore the uncertainties associated with synthetic positive samples and randomly selected negative samples, and to determine the final mineral potential values. Based on the evaluation metrics G-mean and F-value, the model using BLSMOTE outperforms the model without the synthetic algorithm and the models using SMOTE and KMeansSMOTE. The optimal model BLSMOTE18 has an AUC of 0.9288. The methodology also performs superiorly with different levels of class imbalance datasets. Excluding the predictions where the results highly overlap with known deposits, five target zones were circled for the targets using a P-A plot, all of which have obvious metallogenic geological features. Among them, Target1 and Target2 have good potential for mineralization, which is of great significance for future mineral exploration work.
Evaluation of Encapsulation Potential of Selected Star-Hyperbranched Polyglycidol Architectures: Predictive Molecular Dynamics Simulations and Experimental Validation
Authors: Gosecki Mateusz , Urbaniak Malgorzata , Martinho Nuno , Gosecka Monika , Zloh Mire
Published: October 2023

Polymers, including non-linear copolymers, have great potential in the development of drug delivery systems with many advantages, but the design requires optimizing polymer–drug interactions. Molecular dynamics (MD) simulations can provide insights into polymer–drug interactions for designing delivery systems, but mimicking formulation processes such as drying is often not included in in silico studies. This study demonstrates an MD approach to model drying of systems comprising either hydrophilic tinidazole or hydrophobic clotrimazole drugs with amphiphilic hyperbranched copolyethers. The simulated drying protocol was critical for elucidating drug encapsulation and binding mechanisms. Experimentally, two polymers were synthesized and shown to encapsulate clotrimazole with up to 83% efficiency, guided by interactions with the hydrophobic core observed in simulations. In contrast, tinidazole is associated with surface regions, indicating capacity differences between drug types. Overall, this work highlights MD simulation of the drying process as an important tool for predicting drug–polymer complex behaviour. The modelled formulation protocol enabled high encapsulation efficiency and opened possibilities for the design of delivery systems based on computationally derived binding mechanisms. This demonstrates a computational–experimental approach where simulated drying was integral to elucidating interactions and developing optimized complexes, emphasizing the value of molecular modelling for the development of drug delivery formulations.
Evaluating the Anti-Melanoma Effects and Toxicity of Cinnamaldehyde Analogues
Authors: Jiang Rongsong , Shen Fukui , Zhang Miaomiao , Mulati Shulipan , Wang Jinfeng , Tao Yicun , Zhang Weiyi
Published: October 2023

Cinnamaldehyde (CA) showed potent activity against melanoma in our previous study, and the structure of unsaturated aldehydes is envisaged to play a role. Nevertheless, its limited drug availability restricts its clinical application. Therefore, a series of CA analogues were synthesized to evaluate their anti-melanoma activities across various melanoma cell lines. These compounds were also tested for their toxicity against the different normal cell lines. The compound with the most potential, CAD-14, exhibited potent activity against the A375, A875 and SK-MEL-1 cells, with IC50 values of 0.58, 0.65, and 0.82 µM, respectively. A preliminary molecular mechanism study of CAD-14 indicated that it could inhibit the p38 pathway to induce apoptosis, and suppress tumor growth by inhibiting the expression of ENO1. Furthermore, an acute toxicity study depicted that CAD-14 has better safety and tolerability than CA in vivo. These findings indicate that CAD-14 might be a lead compound for exploring effective anti-melanoma drugs.
Nitrogen-Doped Graphene Quantum Dot-Passivated δ-Phase CsPbI3: A Water-Stable Photocatalytic Adjuvant to Degrade Rhodamine B
Authors: Gu Yiting , Du Xin , Hua Feng , Wen Jianfeng , Li Ming , Tang Tao
Published: October 2023

Inorganic halide perovskite CsPbI3 is highly promising in the photocatalytic field for its strong absorption of UV and visible light. Among the crystal phases of CsPbI3, the δ-phase as the most aqueous stability; however, directly using it in water is still not applicable, thus limiting its dye photodegradation applications in aqueous solutions. Via adopting nitrogen-doped graphene quantum dots (NGQDs) as surfactants to prepare δ-phase CsPbI3 nanocrystals, we obtained a water-stable material, NGQDs-CsPbI3. Such a material can be well dispersed in water for a month without obvious deterioration. High-resolution transmission electron microscopy and X-ray diffractometer characterizations showed that NGQDs-CsPbI3 is also a δ-phase CsPbI3 after NGQD coating. The ultraviolet-visible absorption spectra indicated that compared to δ-CsPbI3, NGQDs-CsPbI3 has an obvious absorption enhancement of visible light, especially near the wavelength around 521 nm. The good dispersity and improved visible-light absorption of NGQDs-CsPbI3 benefit their aqueous photocatalytic applications. NGQDs-CsPbI3 alone can photodegrade 67% rhodamine B (RhB) in water, while after compositing with TiO2, NGQDs-CsPbI3/TiO2 exhibits excellent visible-light photocatalytic ability, namely, it photodegraded 96% RhB in 4 h. The strong absorption of NGQDs-CsPbI3 in the visible region and effective transfer of photogenerated carriers from NGQDs-CsPbI3 to TiO2 play the key roles in dye photodegradation. We highlight NGQDs-CsPbI3 as a water-stable halide perovskite material and effective photocatalytic adjuvant.
Synthesis and Characterization of Proton-Conducting Composites Prepared by Introducing Imidazole or 1,2,4-Triazole into AlPO-5 and SAPO-5 Molecular Sieves
Authors: Ostrowski Adam , Jankowska Aldona , Tabero Agata , Janiszewska Ewa , Kowalak Stanisław
Published: October 2023

The present work concerns proton-conducting composites obtained by replacing the water molecules present in aluminophosphate and silicoaluminophosphate AFI-type molecular sieves (AlPO-5 and SAPO-5) with azole molecules (imidazole or 1,2,4-triazole). Both the introduction of azoles and the generation of Brønsted acid centers by isomorphous substitution in aluminophosphate materials were aimed at improving the proton conductivity of the materials and its stability. In the presented study, AlPO-5 and several SAPO-5 materials differing in silicon content were synthesized. The obtained porous matrices were studied using PXRD, low-temperature nitrogen sorption, TPD-NH3, FTIR, and SEM. The proton conductivity of composites was measured using impedance spectroscopy. The results show that the increase in silicon content of the porous matrices is accompanied by an increase in their acidity. However, this does not translate into an increase in the conductivity of the azole composites. Triazole composites show lower conductivity and significantly higher activation energies than imidazole composites; however, most triazole composites show much higher stability. The different conductivity values for imidazole and triazole composites may be due to differences in chemical properties of the azoles.
Studying Fluorescence Sensing of Acetone and Tryptophan and Antibacterial Properties Based on Zinc-Based Triple Interpenetrating Metal–Organic Skeletons
Authors: Yuan Congying , Qiao Yidan , Zhang Zhaolei , Chai Yinhang , Zhang Xiaojun , Dong Xiaojing , Zhao Ying
Published: October 2023

Two triple interpenetrating Zn(II)-based MOFs were studied in this paper. Named [Zn6(1,4-bpeb)4(IPA)6(H2O)]n (MOF-1) and {[Zn3(1,4-bpeb)1.5(DDBA)3]n·2DMF} (MOF-2), {1,4-bpeb = 1,4-bis [2-(4-pyridy1) ethenyl]benze, IPA = Isophthalic acid, DDBA = 3,3′-Azodibenzoic acid}, they were synthesized by the hydrothermal method and were characterized and stability tested. The results showed that MOF-1 had good acid–base stability and solvent stability. Furthermore, MOF-1 had excellent green fluorescence and with different phenomena in different solvents, which was almost completely quenched in acetone. Based on this phenomenon, an acetone sensing test was carried out, where the detection limit of acetone was calculated to be 0.00365% (volume ratio). Excitingly, the MOF-1 could also be used as a proportional fluorescent probe to specifically detect tryptophan, with a calculated detection limit of 34.84 μM. Furthermore, the mechanism was explained through energy transfer and competitive absorption (fluorescence resonance energy transfer (FRET)) and internal filtration effect (IFE). For antibacterial purposes, the minimum inhibitory concentrations of MOF-1 against Escherichia coli and Staphylococcus aureus were 19.52 µg/mL and 39.06 µg/mL, respectively, and the minimum inhibitory concentrations of MOF-2 against Escherichia coli and Staphylococcus aureus were 68.36 µg/mL and 136.72 µg/mL, respectively.
Active Components of Leontopodium alpinum Callus Culture Extract for Blue Light Damage in Human Foreskin Fibroblasts
Authors: Li Haodong , Meng Xianyao , Zhang Ying , Guo Miaomiao , Li Li
Published: October 2023

Leontopodium alpinum is a source of raw material for food additives and skin health. The purpose of this study was to investigate the application of Leontopodium alpinum callus culture extract (LACCE) to prevent blue light damage to the skin. We screened and identified the blue light-damage-protecting activities and mechanisms of ten components of LACCE, including chlorogenic acid (A), isoquercitrin (B), isochlorogenic acid A (C), cynaroside (D), syringin (E), isochlorogenic acid (F), cynarin (G), rutin (H), leontopodic acid A (I), and leontopodic acid B (J), using a novel blue light-induced human foreskin fibroblast (HFF-1) cell injury model. The study examined the cytotoxicity of ten ingredients using the cell counting kit-8 (CCK-8) assay, and selecting concentrations of 5, 10, and 20 μM for experiments with a cell viability above 65%. We explored the effects and mechanisms of action of these LACCE components in response to blue light injury using Western blotting and an enzyme-linked immunosorbent assay. We also measured ROS secretion and Ca2+ influx. Our study revealed that leontopodic acid A effectively boosted COI-1 expression, hindered MMP-1 expression, curbed ROS and Ca2+ endocytosis, and reduced OPN3 expression. These results provide theoretical support for the development of new raw materials for the pharmaceutical and skincare industries.
Hydroxyethyl Cellulose-Based Hydrogels as Controlled Release Carriers for Amorphous Solid Dispersion of Bioactive Components of Radix Paeonia Alba
Authors: Naeem Abid , Yu Chengqun , Wang Xiaoli , Peng Mingyan , Liu Yi , Liu Yali
Published: October 2023

Radix Paeoniae Alba (RPA) has been used extensively in Chinese traditional medicine to treat gastrointestinal disorders, immune-modulating diseases, cancers, and numerous other conditions. A few of its active components include paeoniflorin, albiflorin, lactiflorin, and catechin. However, their therapeutic effectiveness is compromised by poor pharmacokinetic profiles, low oral bioavailability, short half-lives, and poor aqueous solubility. In this study, hydroxyethyl cellulose-grafted-2-acrylamido-2-methylpropane sulfonic acid (HEC-g-AMPS) hydrogels were successfully prepared for the controlled release of Radix Paeonia Alba-solid dispersion (RPA-SD). A total of 43 compounds were identified in RPA-SD using UHPLC-Q-TOF-MS analysis. The hydrogel network formation was confirmed by FTIR, TGA, DSC, XRD, and SEM. Hydrogels’ swelling and drug release were slightly higher at pH 1.2 (43.31% swelling, 81.70% drug release) than at pH 7.4 (27.73% swelling, 72.46% drug release) after 48 h. The gel fraction, drug release time and mechanical strength of the hydrogels increased with increased polymer and monomer concentration. Furthermore, the hydrogels were porous (84.15% porosity) and biodegradable (8.9% weight loss per week). Moreover, the synthesized hydrogels exhibited excellent antimicrobial and antioxidative properties.
Isolation and Identification of Chemical Compounds from Agaricus blazei Murrill and Their In Vitro Antifungal Activities
Authors: Yu Ruirui , Li Xiaojian , Yi Peng , Wen Ping , Wang Shuhong , Liao Chenghui , Song Xun , Wu Haiqiang , He Zhendan , Li Chenyang
Published: October 2023

This study explores the antifungal properties of Agaricus blazei Murrill, a valuable medicinal and edible fungus. Six compounds (1–6) were first isolated from A. blazei using various isolation techniques and identified using spectroscopic methods. These compounds include linoleic acid, 1,1′-oxybis(2,4-di-tert-butylbenzene), glycerol monolinoleate, volemolide (17R)-17-methylincisterol, (24s)-ergosta-7-en-3-ol, and dibutyl phthalate. This study also assesses the antifungal activities of these compounds against Trichophyton mentagrophology, Trichophyton rubrum, Candida albicans, and Cryptococcus neoformans. The results demonstrate varied sensitivities against these pathogenic fungi, with compound 2 showing significant inhibition against T. mentagrophology, compound 3 showing significant inhibition against T. rubrum, and compound 6 showing significant inhibition against C. albicans. This study underscores the medicinal potential of A. blazei as an antifungal agent and sheds light on its valuable research implications.
Acid/Base-Triggered Photophysical and Chiroptical Switching in a Series of Helicenoid Compounds
Authors: Guy Laure , Mosser Maëlle , Pitrat Delphine , Mulatier Jean-Christophe , Kukułka Mercedes , Srebro-Hooper Monika , Jeanneau Erwann , Bensalah-Ledoux Amina , Baguenard Bruno , Guy Stéphan
Published: October 2023

A series of molecules that possess two quinolines, benzoquinolines, or phenanthrolines connected in a chiral fashion by a biaryl junction along with their water-soluble derivatives was developed and characterized. The influence of the structure on the basicity of the nitrogen atoms in two heterocycles was examined and the photophysical and chiroptical switching activity of the compounds upon protonation was studied both experimentally and computationally. The results demonstrated that changes in the electronic structure of the protonated vs. neutral species, promoting a bathochromic shift of dominant electronic transitions and alternation of their character from π-to-π* to charge-transfer-type, when additionally accompanied by the high structural flexibility of a system, leading to changes in conformational preferences upon proton binding, produce particularly pronounced modifications of the spectral properties in acidic medium. The latter combined with reversibility of the read-out make some of the molecules in this series very promising multifunctional pH probes.
A Review of Nanofluids as Coolants for Thermal Management Systems in Fuel Cell Vehicles
Authors: Tao Qi , Zhong Fei , Deng Yadong , Wang Yiping , Su Chuqi
Published: October 2023

With the development of high-power fuel cell vehicles, heat dissipation requirements have become increasingly stringent. Although conventional cooling techniques improve the heat dissipation capacity by increasing the fan rotating speed or radiator dimensions, high energy consumption and limited engine compartment space prevent their implementation. Moreover, the insufficient heat transfer capacity of existing coolants limits the enhancement of heat dissipation performance. Therefore, exploring novel coolants to replace traditional coolants is important. Nanofluids composed of nanoparticles and base liquids are promising alternatives, effectively improving the heat transfer capacity of the base liquid. However, challenges remain that prevent their use in fuel cell vehicles. These include issues regarding the nanofluid stability and cleaning, erosion and abrasion, thermal conductivity, and electrical conductivity. In this review, we summarize the nanofluid applications in oil-fueled, electric, and fuel cell vehicles. Subsequently, we provide a comprehensive literature review of the challenges and future research directions of nanofluids as coolants in fuel cell vehicles. This review demonstrates the potential of nanofluids as an alternative thermal management system that can facilitate transition toward a low-carbon, energy-secure economy. It will serve as a reference for researchers to focus on new areas that could drive the field forward.
Micronutrients in Food Supplements for Pregnant Women: European Health Claims Assessment
Authors: Domínguez Laura , Fernández-Ruiz Virginia , Cámara Montaña
Published: October 2023

Micronutrients play a critical role in pregnant women, a vulnerable group with higher nutritional requirements. The first strategy to achieve adequate micronutrients intake should always be through a healthy and balanced diet. In the case where the diet is not enough to meet these requirements, food supplements should be prescribed under supervision to complement the diet, and these products must bear reliable information about the declared nutritional contents and health benefits. Based on the data provided by the Coordinated System of Fast Interchange of Information (SCIRI) and to know the current national situation, this work addresses the assessment of the content and the adequacy of health claims related to some micronutrients (vitamin C, vitamin B9, iron, copper, manganese, zinc, calcium, magnesium) contained in food supplements for pregnant women commercialized in Spain. Analytical results coincided with the declared values and were covered by the ranges of tolerances, and samples met the requirements to use health claims. Although the samples could even include more claims, manufacturers could have selected those which either best addressed pregnant women’s conditions or best aligned with marketing intentions. This study confirms an adequate use of health claims in food supplement samples, which could be interesting for strengthening consumers’ confidence in the benefits shown in the labeling and for encouraging the use of health claims as a useful tool for making better-informed purchasing decisions.