bluuebunny/crossref_metadata_2025 huggingface dataset:
Capsule Dosimeters for Ultraviolet Radiation Measurements on Coral Reefs and in Seawater
Authors: Sąsiadek-Andrzejczak Elżbieta , Jaszczak Malwina , Kozicki Marek
Published: August 2023

This work reports on the new chemical dosimeters for UV radiation dose measurements on coral reefs and in seawater. The proposed dosimeters can measure the actual dose of UV radiation, which consists of 95% UVA and 5% UVB radiation, unlike the currently-used radiometers in marine and ocean waters that measure the dose of UVA and UVB radiation separately. The dosimeters are composed of water, poly(ethylene oxide)-block-poly(propylene oxide)-block-poly(ethylene oxide) (Pluronic F-127) as a gel matrix, and 2,3,5-triphenyltetrazolium chloride (TTC) as a UV radiation-sensitive compound. In the work, the dosimeters were characterised in terms of their response to the dose of UV radiation depending on the TTC concentration and the irradiation and storage conditions of the dosimeters. The stability of the dosimeters over time was also examined. The obtained results indicate that the TTC-Pluronic F-127 dosimeters can be used to measure absorbed doses of UV radiation in the saltwater environment. The developed dosimeters with a concentration of 0.1% TTC can be used up to 5 J/cm2, which predisposes them to UV radiation measurements at a depth of more than 10 m in sea and ocean waters in 10-min intervals during all months throughout the year.
Kinetic and Thermodynamic Analyses of Co-Pyrolysis of Nylon-Polyethylene Pouch Wastes
Authors: Wan Hai-Bo , Huang Zhen
Published: August 2023

In this study, thermogravimetric measurements of nylon-6/polyethylene double-layer pouch wastes were conducted in N2 under a constant heating-rate mode, and the multiple heating-rate results were analyzed in terms of degradation features and specific temperatures. Experimental results show that the waste pyrolysis involves one reaction stage, and all specific parameters appear to increase with the heating rate. Kinetic analysis of non-isothermal data was thoroughly performed using various isoconversional model-free methods for the calculations of the activation energy, resulting in 143~215 kJ/mol over the whole pyrolysis process. By means of the model-fitting method, the reaction mechanism model g(α) and pre-exponential factor lnk0 are concurrently determined with the aid of the linear compensation effect. With such methodology proposed, the Avrami–Erofeev kinetic model A3/2 of g(α) = [−ln(1 − α)]2/3 is found to be the most appropriate mechanism function for describing the pyrolysis of the nylon-6/polyethylene waste along with lnk0 of 23.14 to 34.26 min−1. With the Arrhenius parameters thus obtained, the predictions were made and performed very satisfactorily to correlate experimental results. Additionally, the service life and thermodynamic parameters over the entire pyrolysis process were also estimated.
Low-Dimensional Structures for Smart Materials and Composites: Preparation, Properties and Applications
Authors: Cesano Federico
Published: August 2023

The Special Issue covers low-dimensional structures or systems with reduced spatial dimensions, resulting in unique properties. The classification of these materials according to their dimensionality (0D, 1D, 2D, etc.) emerged from nanoscience and nanotechnology. One review and eighteen research articles highlight recent developments and perspectives in the field of low-dimensional structures and demonstrate the potential of low-dimensional systems in various fields, from nanomaterials for energy applications to biomedical sensors and biotechnology sector.
Investigation of Plasticity Effects on Growing Fatigue Cracks Using the CJP Model of Crack Tip Fields
Authors: Vasco-Olmo José Manuel , Camacho-Reyes Alonso , Gómez Gonzales Giancarlo Luis , Díaz Francisco
Published: August 2023

A growing fatigue crack gives rise to a plastic enclave that envelops the crack and can exert a shielding effect on the crack from the global elastic stress field driving fatigue propagation. This work presents the potential of the CJP model of crack tip fields to investigate the plasticity-induced shielding effects on growing fatigue cracks as well as its ability to characterise the size and shape of the plastic zone generated at the tip of a growing fatigue crack. The model was specifically developed to consider the influence of the plastic enclave generated around a fatigue crack on the surrounding elastic material. Different aspects related to fracture mechanics and its implications for fatigue crack growth have been investigated, namely plasticity-induced crack shielding, the retardation effect induced on fatigue crack growth due to the application of an overload and the estimate of the size and shape of the crack tip plastic zone. The model has been successfully applied by analysing displacement fields experimentally measured by DIC in different CT specimens made of 2024-T3 aluminium alloy and commercially pure titanium. Results presented in this work intend to contribute to a better understanding of the shielding effects during fatigue crack growth.
Thermal Stability and Hot Corrosion Performance of the AlCoCrFeNi2.1 High-Entropy Alloy Coating by Laser Cladding
Authors: Zhang Li , Ji Yan , Yang Bin
Published: August 2023

Both crack-free AlCoCrFeNi2.1 eutectic high-entropy alloy (EHEA) and Y and Hf co-doping AlCoCrFeNi2.1 EHEA (YHf-EHEA) coatings were prepared by laser cladding. The solidification microstructure, thermal stability, and hot corrosion performance of the coatings at 900 °C under 75% Na2SO4 + 25% NaCl molten salts were investigated. The experimental results showed that the structure of the as-deposited coatings consisted of FCC and BCC/B2 phases. After heat treatment, an Al-rich L12 phase was precipitated in the FCC phase of all coatings. The grain sizes of the EHEA and YHf-EHEA coatings after heat treatment at 900 °C for 10 h increased by 27.5% and 15.7%, respectively, compared to the as-deposited coatings. Meanwhile, after hot corrosion, the spallation areas of the YHf-EHEA and EHEA coatings accounted for 14.98% and 5.67% of the total surface area, respectively. In this study, the Y and Hf co-doping did not change the microstructure morphology and phase structure of the coatings but did improve the thermal stability and resistance of the hot corrosion oxide scale spallation, providing a certain amount of data and theoretical support for the application of EHEA coatings as high-temperature protective coatings.
Study of Modified Magnesium Phosphate Cement for Fluoride Removal
Authors: Gharsallah Sana , Mallah Abdulrahman , Alsawi Abdulrahman , Hammami Bechir , Khitouni Mohamed , Charnay Clarence , Chemingui Mahmoud
Published: August 2023

In this study, we used a novel composite material based on magnesium phosphate cement (MPC) to explore the retention of fluoride from used water. Dead-burned magnesium oxide (MgO), ammonium dihydrogen phosphate (NH4H2PO4), and a few retarders were used to create this particular substance. Several studies have corroborated the performance of using aluminum in the capture of fluoride. From this perspective, we attempted to reinforce our matrix with different quantities of aluminum, which increased the resistance of the composite in water. The optimal conditions that were obtained were evaluated and scrutinized using a range of techniques, including scanning electron microscopy (SEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transforms infrared spectroscopy (FTIR), and Brunauer–Emmett–Teller (BET). The adsorbents demonstrated a powerful ability to remove fluoride from contaminated water and the defluoridation capacity was evaluated at 4.84 mg/g. Equilibrium modeling was carried out, and the experimental data were expressed in accordance with the Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich isotherms.
Optimal Selection of Multi-Fuel Engines for Ships Considering Fuel Price Uncertainty
Authors: Wu Yiwei , Zhang Hongyu , Li Fei , Wang Shuaian , Zhen Lu
Published: August 2023

Maritime transport serves as the backbone of international trade, accounting for more than 90% of global trade. Although maritime transport is cheaper and safer than other modes of transport, it often means long sailing distances, which often results in substantial fuel consumption and emissions. Liner shipping, a vital component of maritime transport, plays an important role in achieving sustainable maritime operations, necessitating the implementation of green liner shipping practices. Therefore, this study formulates a nonlinear integer programming model for a multi-fuel engine selection optimization problem to optimally determine ship order choice in terms of the fuel engine type, fleet deployment, fuel selection, and speed optimization, with the aim of minimizing the total weekly cost containing the weekly investment cost for ship orders and the weekly fuel cost. Given the complexity of solving nonlinear models, several linearization techniques are applied to transform the nonlinear model into a linear model that can be directly solved by Gurobi. To evaluate the performance of the linear model, 20 sets of numerical instances with, at most, seven routes are conducted. The results show that among 20 numerical instances, 16 sets of numerical instances are solved to optimality within two hours. The average gap value of the remaining four sets of numerical instances that cannot be solved to optimality within two hours is 0.51%. Additionally, sensitivity analyses are performed to examine crucial parameters, such as the weekly investment cost for ordering ships, the ship ordering budget, and the potential application of new fuel engine types, thereby exploring managerial insights. In conclusion, our findings indicate that equipping ships with low-sulfur fuel oil engines proves to be the most economical advantageous option in the selected scenarios. Furthermore, ordering ships with low-sulfur fuel, oil + methanol + liquefied natural gas engines, is beneficial when the weekly investment cost for such engines does not exceed $13,000, under the current parameter value setting.
Calculation of the Magnetic Field of a Current-Carrying System
Authors: Vinogradov Dmitrii , Teplyakov Igor , Ivochkin Yury
Published: August 2023

With regard to the study of the characteristics of electrovortex flows occurring indirect current electric arcs and electroslag smelting furnaces, a method has been developed for calculating the magnetic field in a current-carrying medium based on the calculation of the Biot–Savart–Laplace integral. The developed technique is focused on the use of unstructured grids and does not require a priori information about the shape of the computational domain. The technique has been tested on problems that have an analytical solution, i.e., the calculation of the distribution of the magnetic field in the cylinder and the calculation of the magnetic field of the ring with the current. The distributions of the magnetic field are obtained for the two-dimensional and three-dimensional cases. We used NVIDIA CUDA technology on graphic processor units (GPUs) to speed up calculations. A comparison of the calculation times on various CPUs and GPUs is given.
New Insight on the Cytoprotective/Antioxidant Pathway Keap1/Nrf2/HO-1 Modulation by Ulva intestinalis Extract and Its Selenium Nanoparticles in Rats with Carrageenan-Induced Paw Edema
Authors: Almukainzi May , El-Masry Thanaa A. , Selim Hend , Saleh Asmaa , El-Sheekh Mostafa , Makhlof Mofida E. M. , El-Bouseary Maisra M.
Published: August 2023

Currently, there is growing interest in exploring natural bioactive compounds with anti-inflammatory potential to overcome the side effects associated with the well-known synthetic chemicals. Algae are a rich source of bioactive molecules with numerous applications in medicine. Herein, the anti-inflammatory effect of Ulva intestinalis alone or selenium nanoparticles loaded with U. intestinalis (UISeNPs), after being fully characterized analytically, was investigated by a carrageenan-induced inflammation model. The pretreated groups with free U. intestinalis extract (III and IV) and the rats pretreated with UISeNPs (groups V and VI) showed significant increases in the gene expression of Keap1, with fold increases of 1.9, 2.27, 2.4, and 3.32, respectively. Similarly, a remarkable increase in the Nrf2 gene expression, with 2.09-, 2.36-, 2.59-, and 3.7-fold increases, was shown in the same groups, respectively. Additionally, the groups III, IV, V, and VI revealed a significantly increased HO-1 gene expression with a fold increase of 1.48, 1.61, 1.87, and 2.84, respectively. Thus, both U. intestinalis extract and the UISeNPs boost the expression of the cytoprotective/antioxidant pathway Keap1/Nrf2/HO-1, with the UISeNPs having the upper hand over the free extract. In conclusion, U. intestinalis and UISeNPs have proven promising anti-inflammatory activity through mediating different underlying mechanisms.
Osteoporosis Associated with Breast Cancer Treatments Based on Types of Hormonal Therapy: A Cross-Sectional Study Using Korean National Sample Data
Authors: Wang Yen Min , Lim Yu-Cheol , Hwang Deok-Sang , Lee Yoon Jae , Ha In-Hyuk , Lee Ye-Seul
Published: August 2023

Background and Objectives: This study aimed to investigate osteoporosis-related treatments and the overall anticancer drug treatment tendencies, with a focus on selective estrogen receptor modulators (SERMs) and aromatase inhibitors (AIs), in Korean patients with breast cancer from 2010 to 2019. Materials and Methods: Data were obtained from the Health Insurance Review and Assessment Service. Patients with breast cancer (International Classification of Diseases, 10th Revision code: C50) as a principal diagnosis at least once from 2010 to 2019 were included. Those with osteoporosis (M80, M81, or M82) as a principal or sub-diagnosis or those who received osteoporosis treatment at least once were categorized as the osteoporosis-related treatment group, and others as the non-osteoporosis-related treatment group. The trends of drug prescriptions and treatment costs in patient groups were evaluated using descriptive statistics. Results: Among all included patients, those aged 45–54 years (40.20%) without osteoporosis treatment and those aged 55–64 years (34.11%) with osteoporosis treatment were the most common. SERM was the most commonly prescribed anticancer drug (29.20%) in the entire patient group, followed by AIs (20.83%). Patients without osteoporosis treatment had the highest prescription rate of SERM (31.48%), and those with osteoporosis treatment had a higher prescription rate of AIs (34.28%). Additionally, SERM and AIs were prescribed most frequently before and after the age of 55 years, respectively, regardless of the presence of treatment. Conclusions: This study found that osteoporosis-related treatment and patient age were associated with anticancer drug prescriptions. The present findings would help clinicians and researchers in the clinical diagnosis and treatment of breast cancer.
Theoretical Model for the Prediction of Water Flux during the Concentration of an Olive Mill Wastewater Model Solution by Means of Forward Osmosis
Authors: Cifuentes-Cabezas Magdalena , Álvarez-Blanco Silvia , Mendoza-Roca José Antonio , Vincent-Vela María Cinta , Gozálvez-Zafrilla José M.
Published: August 2023

Currently, understanding the dynamics of the interaction between the agents in a process is one of the most important factors regarding its operation and design. Membrane processes for industrial wastewater management are not strangers to this topic. One such example is the concentration of compounds with high added value, such as the phenolic compounds present in olive mill wastewater (OMW). This process is a viable option, thanks to the forward osmosis (FO) process, osmotically driven by a saline stream. In this context, the transport of the solute and the solvent through the FO membranes, although essential to the process, remains problematic. This paper presents a study to predict, by means of a theoretical model, the water flux for two membranes (a cellulose triacetate flat sheet and a polyamide hollow fiber with integrated aquaporin proteins) with different characteristics using a sodium chloride solution as the draw solution (DS). The novelty of this model is the consideration of the contribution of organic compounds (in addition to the inorganic salts) to the osmotic pressure in the feed side. Moreover, the geometry of the modules and the characteristics of the membranes were also considered. The model was developed with the ability to run under different conditions, with or without tyrosol (the compound chosen as representative of OMW phenolic compounds) in the feed solution (FS), and was fitted and evaluated using experimental data. The results presented a variability in the model prediction, which was a function of both the membrane used and the FS and DS, with a greater influence of tyrosol observed on the permeate flux in the flat cellulose triacetate membrane.
Effect of Thermally Reduced Graphene on the Characteristics and Performance of Polysulfone Mixed Matrix Ultrafiltration Membranes
Authors: Abdala Omnya , Nabeeh Ahmed , Rehman Abdul , Abdel-Wahab Ahmed , Hassan Mohammad , Abdala Ahmed
Published: August 2023

Ultrafiltration (UF) polymeric membranes are widely used in water treatment and support desalination and gas separation membranes. In this article, we enhance the performance of Polysulfone (PSF) mixed matrix membranes (MMMs) by dispersing different concentrations of thermally reduced graphene (TRG) nanofillers. The UF PSF-TRG MMMs were fabricated via the phase inversion process, and the impact of TRG loading on the characteristics of the membrane, including hydrophilicity, porosity, roughness, and morphology, were analyzed using a contact angle measurement, atomic force microscopy (AFM), scanning electron microscopy (SEM), and dynamic mechanical analysis. Incorporating TRG into the PSF matrix led to favorable effects in the instantaneous de-mixing during phase inversion, increasing the porosity and hydrophilicity of MMMs and improving the mechanical properties of the membranes. Moreover, membrane performance was examined to remove dispersed oil from oil–water emulsion and support air-dehumidification membranes. MMM performance in terms of flux and oil rejection was superior to the control PSF membrane. Incorporating 0.25% TRG into PSF resulted in a 70% water flux increase and higher oil rejection compared to the control PSF membrane. As a support for air-dehumidification membranes, the MMM also demonstrated enhanced humidity reduction and an over 20% increase in water vapor permeance over the control PSF membrane. These results indicate that the PSF-TRG MMMs are an excellent candidate for reliable oil–water separation and as a support for air-dehumidification membranes.
Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl
Authors: Cheng Ziqi , Li Shen , Tocci Elena , Saielli Giacomo , Gugliuzza Annarosa , Wang Yanting
Published: August 2023

Water transport through membranes is an attractive topic among the research dedicated to dehydration processes, microenvironment regulation, or more simply, recovery of freshwater. Herein, an atomistic computer simulation is proposed to provide new insights about a water vapor transport mechanism through PEBAX membranes filled with ionic liquid (IL) [C12C1im]Cl. Starting from experimental evidence that indicates an effective increase in water permeation as the IL is added to the polymer matrix (e.g., up to 85·10−3 (g·m)/(m2·day) at 318.15 K for PEBAX@2533 membranes loaded with 70% of IL), molecular dynamics simulations are proposed to explore the key role of IL in water transport inside membranes. The polar region composed of anions and cationic head groups of the IL is demonstrated to serve as the pathway for water transport through the membrane. Water molecules always stay near the pathway, which becomes wider and thus has a larger water-accessible area with increasing IL concentration. Hence, the diffusion coefficients of water molecules and ions increase as the IL concentration increases. The simulation provides useful indications about a microscopic mechanism that regulates the transport of water vapor through a kind of PEBAX/IL membrane, resulting in full agreement with the experimental evidence.
Research Progress in Corrosion Protection Technology for Electronic Components
Authors: Zhao Qixin , Liu Xiangyi , Wang Hanbing , Zhu Yongqiang , An Yang , Yu Dazhao , Qi Jiantao
Published: August 2023

As a necessary part of all electronic devices, equipment and systems, electronic components play a vital role in the global economy. Since the corrosion of a single electronic component may directly affect the normal operation of the entire electronic system, the failure of electronic components has now become the most important cause of electrical system failure and has become a major obstacle to China’s transformation into a scientific and technological power. Therefore, it is urgent to study the corrosion failure process of electronic components and the means of effective protection. In this paper, starting from the corrosion types and influencing factors of electronic components, especially chips, we introduce the influence of humidity, temperature, salt spray, and environmental particles, as well as the device’s own surface roughness, material adhesion, semiconductor materials, metal coupling system, and lead-free solder system on corrosion performance in the environment. Subsequently, this paper summarizes how to protect electronic components during processing, and sums up the types of electronic component protections, and the specific corrosion protection process for the three commonly used types of chips, namely, the indium antimonide InSb chip, the IC chip, and the Sn–Zn solder chip, for reference. Finally, future development trends in the corrosion protection of electronic components are anticipated and summarized.
Exploring the Impact of Organic Solvent Quality and Unusual Adduct Formation during LC-MS-Based Lipidomic Profiling
Authors: Cajka Tomas , Hricko Jiri , Rudl Kulhava Lucie , Paucova Michaela , Novakova Michaela , Fiehn Oliver , Kuda Ondrej
Published: August 2023

Liquid chromatography–mass spectrometry (LC-MS) is the key technique for analyzing complex lipids in biological samples. Various LC-MS modes are used for lipid separation, including different stationary phases, mobile-phase solvents, and modifiers. Quality control in lipidomics analysis is crucial to ensuring the generated data’s reliability, reproducibility, and accuracy. While several quality control measures are commonly discussed, the impact of organic solvent quality during LC-MS analysis is often overlooked. Additionally, the annotation of complex lipids remains prone to biases, leading to potential misidentifications and incomplete characterization of lipid species. In this study, we investigate how LC-MS-grade isopropanol from different vendors may influence the quality of the mobile phase used in LC-MS-based untargeted lipidomic profiling of biological samples. Furthermore, we report the occurrence of an unusual, yet highly abundant, ethylamine adduct [M+46.0651]+ that may form for specific lipid subclasses during LC-MS analysis in positive electrospray ionization mode when acetonitrile is part of the mobile phase, potentially leading to lipid misidentification. These findings emphasize the importance of considering solvent quality in LC-MS analysis and highlight challenges in lipid annotation.
Mediterranean Plants as Potential Source of Biopesticides: An Overview of Current Research and Future Trends
Authors: Fragkouli Regina , Antonopoulou Maria , Asimakis Elias , Spyrou Alexandra , Kosma Chariklia , Zotos Anastasios , Tsiamis George , Patakas Angelos , Triantafyllidis Vassilios
Published: August 2023

The development and implementation of safe natural alternatives to synthetic pesticides are urgent needs that will provide ecological solutions for the control of plant diseases, bacteria, viruses, nematodes, pests, and weeds to ensure the economic stability of farmers and food security, as well as protection of the environment and human health. Unambiguously, production of botanical pesticides will allow for the sustainable and efficient use of natural resources and finally decrease the use of chemical inputs and burden. This is further underlined by the strict regulations on pesticide residues in agricultural products and is in harmony with the Farm to Fork strategy, which aims to reduce pesticide use by 50% by 2030. Thus, the present work aims to compile the scientific knowledge of the last 5 years (2017–February 2023) regarding the Mediterranean plants that present biopesticidal effects. The literature review revealed 40 families of Mediterranean plants with at least one species that have been investigated as potential biopesticides. However, only six families had the highest number of species, and they were reviewed comprehensively in this study. Following a systematic approach, the extraction methods, chemical composition, biopesticidal activity, and commonly used assays for evaluating the antimicrobial, pesticidal, repellant, and herbicidal activity of plant extracts, as well as the toxicological and safety aspects of biopesticide formulation, are discussed in detail. Finally, the aspects that have not yet been investigated or are under-investigated and future perspectives are highlighted.
Three-Dimensionally Printed Self-Lock Origami: Design, Fabrication, and Simulation to Improve Performance of Rotational Joint
Authors: Zare Samira , Spaeth Alex , Suresh Sandya , Teodorescu Mircea
Published: August 2023

Origami structures have made significant contributions to the field of robotics, offering various advantages. One such advantage is their ability to conserve space by transforming the structure into a compact form. Additionally, many origami structures can be fabricated in a flat state to simplify manufacturing, giving them the potential for large-scale and cost-effective production. Rotational joints play a crucial role in the construction of robotic systems, yet origami rotational joints can suffer from a limited range of motion. We previously theoretically proposed the Self-Lock Joint to address this issue, but it is only partially flat-foldable. This paper presents a novel approach to the 3D printing of modular origami joints, such as the Self-Lock Joint, using 3D-printed plates joined with a fabric layer. The compliance of the fabric can improve the joint’s semi flat-foldability or even enable it to achieve complete flat-foldability. Furthermore, the rotational motion of the joint is enhanced, allowing for close to 360 degrees of rotational movement. We assess the physical properties of the joint under both loaded and unloaded conditions in order to identify design trade-offs in the physical properties of the joints. Moreover, as a proof of concept, we construct and demonstrate manipulators utilizing these joints. The increase in rotational movement enabled by this fabrication method, coupled with the compliant joint’s flat-foldability and modular nature, make it a promising candidate for use in a wide range of applications.
Bessel Beam Dielectrics Cutting with Femtosecond Laser in GHz-Burst Mode
Authors: Balage Pierre , Guilberteau Théo , Lafargue Manon , Bonamis Guillaume , Hönninger Clemens , Lopez John , Manek-Hönninger Inka
Published: August 2023

We report, for the first time to the best of our knowledge, Bessel beam dielectrics cutting with a femtosecond laser in GHz-burst mode. The non-diffractive beam shaping is based on the use of an axicon and allows for cutting glasses up to 1 mm thickness with an excellent cutting quality. Moreover, we present a comparison of the cutting results with the state-of-the-art method, consisting of short MHz-bursts of femtosecond pulses. We further illustrate the influence of the laser beam parameters such as the burst energy and the pitch between consecutive Bessel beams on the machining quality of the cutting plane and provide process windows for both regimes.
Effect of Temperature and Water Salinity on Electrical Surface Conduction of Clay Particles
Authors: Hasan Md Farhad , Abuel-Naga Hossam
Published: August 2023

In this study, the combined effect of temperature (T) and pore water salinity on electrical surface conduction parameters was investigated. Two new electrical surface conduction parameters, namely, electrical conductivity of effective solid (σs) and size of diffuse double layer (DDL) water per unit volume of soil (χ), were considered in this study. The tested samples included two commercially available clays and four natural clay soils with diverse physico-chemical properties. The two surface conduction parameters were also used to assess the influence of temperature (T) and pore water salinity, as well as the electrical conductivity of free water (σFW), on the evolution of the free swelling index (FSI) of clays/clay soils through experimental methods. The findings suggested that elevated temperature and σFW increased σs but reduced χ, as well as the FSI of clays/clay soils. Furthermore, the rate of reduction for both χ and FSI augmented under the influence of increased free water salinity, particularly for clays/clay soils with high swelling capacity. The combined reductions of χ and FSI provided substantial evidence that clay DDL thickness decreases as T and σFW increase concurrently.
Water–Aluminum Interaction as Driving Force of Linde Type A Aluminophosphate Hydration
Authors: Hubman Anže , Volavšek Janez , Urbič Tomaž , Zabukovec Logar Nataša , Merzel Franci
Published: August 2023

Linde type A (LTA) aluminophosphate is a promising candidate for an energy storage material used for low-temperature solar and waste-heat management. The mechanism of reversible water adsorption, which is the basis for potential industrial applications, is still not clear. In this paper, we provide mechanistic insight into various aspects of the hydration process using molecular modeling methods. Building on accurate DFT calculations and available experimental data, we first refine the existing empirical force-field used in subsequent classical molecular dynamics simulations that captures the relevant physics of the water binding process. We succeed in fully reproducing the experimentally determined X-ray structure factors and use them to estimate the number of water molecules present in the fully hydrated state of the material. Furthermore, we show that the translational and orientational mobility of the confined water is significantly reduced and resembles the dynamics of glassy systems.
Tin/Tin Oxide Nanostructures: Formation, Application, and Atomic and Electronic Structure Peculiarities
Authors: Liu Poting , Sivakov Vladimir
Published: August 2023

For a very long period, tin was considered one of the most important metals for humans due to its easy access in nature and abundance of sources. In the past, tin was mainly used to make various utensils and weapons. Today, nanostructured tin and especially its oxide materials have been found to possess many characteristic physical and chemical properties that allow their use as functional materials in various fields such as energy storage, photocatalytic process, gas sensors, and solar cells. This review discusses current methods for the synthesis of Sn/SnO2 composite materials in form of powder or thin film, as well as the application of the most advanced characterization tools based on large-scale synchrotron radiation facilities to study their chemical composition and electronic features. In addition, the applications of Sn/SnO2 composites in various fields are presented in detail.
Maternal Dietary Diversity and Small for Gestational Age: The Effect Modification by Pre-Pregnancy Body Mass Index and Gestational Weight Gain in a Prospective Study within Rural Sichuan, China (2021–2022)
Authors: Sun Chang , Wu Yuju , Cai Zhengjie , Li Linhua , Feng Jieyuan , van Grieken Amy , Raat Hein , Rozelle Scott , Zhou Huan
Published: August 2023

Infants born small for gestational age (SGA) remains a significant global public health concern, with potential interconnections among maternal diet, pre-pregnancy BMI, gestational weight gain (GWG), and SGA. This prospective study investigated the association between dietary diversity (DD) during pregnancy and the risk of SGA, as well as the synergistic effect of DD with pre-pregnancy BMI and GWG on SGA. Maternal dietary intake during pregnancy was assessed using 24 h dietary recalls, and dietary diversity scores (DDS) were calculated based on the FAO’s Minimum Dietary Diversity for Women index. Infant information was followed up. The Poisson regression model was employed to determine the association between maternal DD and SGA. Interactions between DD and pre-pregnancy BMI or GWG were evaluated under additive and multiplicative models. Among the 560 singleton live births, 62 (11.07%) were classified as SGA. After adjusting for potential confounders, the DDS exhibited a protective effect against SGA (aRR: 0.76; 95% CI: 0.62–0.95). DD modified the association between being underweight prior to pregnancy and SGA on the additive scale (interaction contrast ratio = 7.39; 95% CI: 5.84, 8.94). These findings suggest that improving dietary diversity during pregnancy, particularly among women with a low pre-pregnancy BMI, may be a feasible strategy to reduce the risk of SGA newborns.
Eating Disorders in Youth with Chronic Health Conditions: Clinical Strategies for Early Recognition and Prevention
Authors: Kumar Maya Michelle
Published: August 2023

Youth with chronic health conditions face an elevated risk of eating disorders and disordered eating behaviors. Contributors to this phenomenon may include the unique threats faced by this vulnerable population to their body image, their relationships with food and eating, and their mental health and self-esteem. However, youth with chronic health conditions may also experience more severe medical complications and mortality from eating disorder behaviors because of the additional risks conveyed by their underlying conditions. In this review, clinical strategies are provided to support youth with chronic health conditions through early recognition of eating disorder behaviors and prompt referral to treatment, which is important for a better prognosis. Suggestions are also given to mitigate their risk of developing eating disorders by proactively addressing risk factors and offering thoughtful anticipatory guidance that promotes a positive relationship with food and eating.
Sweeteners and the Gut Microbiome: Effects on Gastrointestinal Cancers
Authors: AL-Ishaq Raghad Khalid , Kubatka Peter , Büsselberg Dietrich
Published: August 2023

Worldwide, the demand for natural and synthetic sweeteners in the food industry as an alternative to refined sugar is increasing. This has prompted more research to be conducted to estimate its safety and effects on health. The gut microbiome is critical in metabolizing selected sweeteners which might affect overall health. Recently, more studies have evaluated the relationship between sweeteners and the gut microbiome. This review summarizes the current knowledge regarding the role played by the gut microbiome in metabolizing selected sweeteners. It also addresses the influence of the five selected sweeteners and their metabolites on GI cancer-related pathways. Overall, the observed positive effects of sweetener consumption on GI cancer pathways, such as apoptosis and cell cycle arrest, require further investigation in order to understand the underlying mechanism.
Bisindolyl Maleimides and Indolylmaleimide Derivatives—A Review of Their Synthesis and Bioactivity
Authors: Cooney Louise N. , O’Shea Kevin D. , Winfield Hannah J. , Cahill Michael M. , Pierce Larry T. , McCarthy Florence O.
Published: August 2023

The evolution of bisindolyl maleimides and indolyl maleimide derivatives and their unique biological activities have stimulated great interest in medicinal chemistry programs. Bisindolylmaleimide (BIM)-type compounds arise from natural sources such as arcyriarubin and are biosynthetically related to indolocarbazoles. BIMs are commonly the immediate synthetic precursors of indolocarbazoles, lacking a central bond between the two aromatic units and making them more flexible and drug-like. Synthetic endeavours within this class of compounds are broad and have led to the development of both remarkably potent and selective protein kinase inhibitors. Clinical BIM examples include ruboxistaurin and enzastaurin, which are highly active inhibitors of protein kinase C-β. While BIMs are widely recognised as protein kinase inhibitors, other modes of activity have been reported, including the inhibition of calcium signalling and antimicrobial activity. Critically, structural differences can be used to exploit new bioactivity and therefore it is imperative to discover new chemical entities to address new targets. BIMs can be highly functionalised or chemically manipulated, which provides the opportunity to generate new derivatives with unique biological profiles. This review will collate new synthetic approaches to BIM-type compounds and their associated bioactivities with a focus on clinical applications.
Pentagalloyl Glucose-Targeted Inhibition of P-Glycoprotein and Re-Sensitization of Multidrug-Resistant Leukemic Cells (K562/ADR) to Doxorubicin: In Silico and Functional Studies
Authors: Dechsupa Nathupakorn , Khamto Nopawit , Chawapun Pornthip , Siriphong Sadanon , Innuan Phattarawadee , Suwan Authaphinya , Luangsuep Thitiworada , Photilimthana Nichakorn , Maita Witchayaporn , Thanacharttanatchaya Rossarin , Sangthong Padchanee , Meepowpan Puttinan , Udomtanakunchai Chatchanok , Kantapan Jiraporn
Published: August 2023

Combining phytochemicals with chemotherapeutic drugs has demonstrated the potential to surmount drug resistance. In this paper, we explore the efficacy of pentagalloyl glucose (PGG) in modulating P-gp and reversing multidrug resistance (MDR) in drug-resistant leukemic cells (K562/ADR). The cytotoxicity of PGG was evaluated using a CCK-8 assay, and cell apoptosis was assessed using flow cytometry. Western blotting was used to analyze protein expression levels. P-glycoprotein (P-gp) activity was evaluated by monitoring the kinetics of P-gp-mediated efflux of pirarubicin (THP). Finally, molecular docking, molecular dynamics simulation, and molecular mechanics with generalized Born and surface area solvation (MM-GBSA) calculation were conducted to investigate drug–protein interactions. We found that PGG selectively induced cytotoxicity in K562/ADR cells and enhanced sensitivity to doxorubicin (DOX), indicating its potential as a reversal agent. PGG reduced the expression of P-gp and its gene transcript levels. Additionally, PGG inhibited P-gp-mediated efflux and increased intracellular drug accumulation in drug-resistant cells. Molecular dynamics simulations and MM-GBSA calculation provided insights into the binding affinity of PGG to P-gp, suggesting that PGG binds tightly to both the substrate and the ATP binding sites of P-gp. These findings support the potential of PGG to target P-gp, reverse drug resistance, and enhance the efficacy of anticancer therapies.
Immunomodulatory and Antioxidant Drugs in Glaucoma Treatment
Authors: Buonfiglio Francesco , Pfeiffer Norbert , Gericke Adrian
Published: August 2023

Glaucoma, a group of diseases characterized by progressive retinal ganglion cell loss, cupping of the optic disc, and a typical pattern of visual field defects, is a leading cause of severe visual impairment and blindness worldwide. Elevated intraocular pressure (IOP) is the leading risk factor for glaucoma development. However, glaucoma can also develop at normal pressure levels. An increased susceptibility of retinal ganglion cells to IOP, systemic vascular dysregulation, endothelial dysfunction, and autoimmune imbalances have been suggested as playing a role in the pathophysiology of normal-tension glaucoma. Since inflammation and oxidative stress play a role in all forms of glaucoma, the goal of this review article is to present an overview of the inflammatory and pro-oxidant mechanisms in the pathophysiology of glaucoma and to discuss immunomodulatory and antioxidant treatment approaches.
Design, Synthesis, In Silico Studies and In Vitro Evaluation of New Indole- and/or Donepezil-like Hybrids as Multitarget-Directed Agents for Alzheimer’s Disease
Authors: Angelova Violina T. , Georgiev Borislav , Pencheva Tania , Pajeva Ilza , Rangelov Miroslav , Todorova Nadezhda , Zheleva-Dimitrova Dimitrina , Kalcheva-Yovkova Elena , Valkova Iva V. , Vassilev Nikolay , Mihaylova Rositsa , Stefanova Denitsa , Petrov Boris , Voynikov Yulian , Tzankova Virginia
Published: August 2023

Alzheimer’s disease (AD) is considered a complex neurodegenerative condition which warrants the development of multitargeted drugs to tackle the key pathogenetic mechanisms of the disease. In this study, two novel series of melatonin- and donepezil-based hybrid molecules with hydrazone (3a–r) or sulfonyl hydrazone (5a–l) fragments were designed, synthesized, and evaluated as multifunctional ligands against AD-related neurodegenerative mechanisms. Two lead compounds (3c and 3d) exhibited a well-balanced multifunctional profile, demonstrating intriguing acetylcholinesterase (AChE) inhibition, promising antioxidant activity assessed by DPPH, ABTS, and FRAP methods, as well as the inhibition of lipid peroxidation in the linoleic acid system. Compound 3n, possessing two indole scaffolds, showed the highest activity against butyrylcholinesterase (BChE) and a high selectivity index (SI = 47.34), as well as a pronounced protective effect in H2O2-induced oxidative stress in SH-SY5Y cells. Moreover, compounds 3c, 3d, and 3n showed low neurotoxicity against malignant neuroblastoma cell lines of human (SH-SY5Y) and murine (Neuro-2a) origin, as well as normal murine fibroblast cells (CCL-1) that indicate the in vitro biocompatibility of the experimental compounds. Furthermore, compounds 3c, 3d, and 3n were capable of penetrating the blood–brain barrier (BBB) in the experimental PAMPA-BBB study. The molecular docking showed that compound 3c could act as a ligand to both MT1 and MT2 receptors, as well as to AchE and BchE enzymes. Taken together, those results outline compounds 3c, 3d, and 3n as promising prototypes in the search of innovative compounds for the treatment of AD-associated neurodegeneration with oxidative stress. This study demonstrates that hydrazone derivatives with melatonin and donepezil are appropriate for further development of new AChE/BChE inhibitory agents.
Damoctocog Alfa Pegol for Hemophilia A Prophylaxis: An Italian Multicenter Survey
Authors: Zanon Ezio
Published: August 2023

Hemophilia A is characterized by a deficiency of clotting factor VIII (FVIII) requiring lifelong prophylactic treatment, typically with recombinant FVIII. In recent years, drugs with extended half-lives have become available, including damoctocog alfa pegol (Bayer S.p.A.). The clinical efficacy and safety of damoctocog alfa pegol were demonstrated in the PROTECT VIII phase II/III development program. To assess the physicians’ experience and to collect data on prophylactic treatment with damoctocog alfa pegol, a monitoring survey was carried out among 15 Italian hemophilia centers. A total of 149 patients on treatment with damoctocog alfa pegol for at least 6 months were considered. Zero bleeds were reported in 75% of patients treated with damoctocog alfa pegol in the last 6 months; zero hemarthroses were reported in 82% of the same patients. Overall, 86% of patients with damoctocog alfa pegol reduced their monthly infusions. The estimated average reduction in IU/kg during prophylaxis with damoctocog alfa pegol, both monthly and annually, was around 17.5%. All involved clinicians were satisfied with damoctocog alfa pegol. Survey results suggest that damoctocog alfa pegol reduced the number of weekly infusions, annual bleeding, and joint bleeding rate in the majority of patients, improving joint health and patients’ quality of life.
Efficacy of Kan Jang® in Patients with Mild COVID-19: A Randomized, Quadruple-Blind, Placebo-Controlled Trial
Authors: Ratiani Levan , Pachkoria Elene , Mamageishvili Nato , Shengelia Ramaz , Hovhannisyan Areg , Panossian Alexander
Published: August 2023

Background and aim. This study aimed to assess the efficacy of the treatment of Kan Jang®, a fixed combination of Andrographis paniculata (Burm. F.) Wall. ex. Nees and Eleutherococcus senticosus (Rupr. & Maxim.) Maxim extracts in patients with mild symptoms of COVID-19. Methods. One hundred and forty patients received six capsules of Kan Jang® (n = 68, daily dose of andrographolides—90 mg) or placebo (n = 72) and supportive treatment (paracetamol) for 14 consecutive days in a randomized, quadruple-blinded, placebo-controlled, two-parallel-group design. The efficacy outcomes were the rate of cases turning to severe, the detection rate of coronavirus SARS-CoV-2 over the time of treatment, the duration, and the severity of symptoms (sore throat, runny nose, cough, headache, fatigue, loss of smell, taste, pain in muscles) in the acute phase of the disease. Other efficacy measures included improving cognitive and physical performance, quality of life, and the levels of inflammatory blood markers—interleukin 6 (IL-6), C-reactive protein, and D-dimer. Results. Kan Jang® significantly (p < 0.05) reduced the rate of cases turning to severe (5.36%) compared to the placebo (17.86%) and decreased the detection rate of SARS-CoV-2 virus over the time of the treatment. The statistical difference in the rates of patients with clinical deterioration in the Kan Jang treatment and placebo control groups was significant (p = 0.0176) both in the 112 patients in the included-per-protocol (IPP) analysis and in the 140 patients in the intended-to-treat (ITT) analysis (p = 0.0236); the absolute risk reduction in cases thanks to the Kan Jang treatment was 12.5%, and the number we needed to treat with Kan Jang was 8. The patient’s recovery time (number of sick days at the home/clinic) was shorter in the Kan Jang group compared with the placebo group. The rate of attenuation of inflammatory symptoms in the Kan Jang® group was significantly higher, decreasing the severity of cough, sore throat/pain, runny nose, and muscle soreness compared with the placebo group. Kan Jang® significantly decreased the Wisconsin Upper Respiratory Symptoms scores compared to the placebo in the sample size of 140 patients. However, the relief of fatigue and headache and the decrease in IL-6 in the blood were observed only in a subset of 86 patients infected during the second three waves of the pandemic. Kan Jang® significantly increased physical activity and workout; however, it did not affect cognitive functions (attention and memory), quality of life score, inflammatory marker D-dimer, and C-reactive protein compared with the placebo group. Conclusions. Overall, the results of this study suggest that Kan Jang® is effective in treating mild and moderate COVID-19 irrespective of the SARS-CoV-2 variant of infection.