bluuebunny/crossref_metadata_2025 huggingface dataset:
The Utilisation of Hydrogels for iPSC-Cardiomyocyte Research
Authors: Patel Leena , Worch Joshua C. , Dove Andrew P. , Gehmlich Katja
Published: June 2023

Cardiac fibroblasts’ (FBs) and cardiomyocytes’ (CMs) behaviour and morphology are influenced by their environment such as remodelling of the myocardium, thus highlighting the importance of biomaterial substrates in cell culture. Biomaterials have emerged as important tools for the development of physiological models, due to the range of adaptable properties of these materials, such as degradability and biocompatibility. Biomaterial hydrogels can act as alternative substrates for cellular studies, which have been particularly key to the progression of the cardiovascular field. This review will focus on the role of hydrogels in cardiac research, specifically the use of natural and synthetic biomaterials such as hyaluronic acid, polydimethylsiloxane and polyethylene glycol for culturing induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs). The ability to fine-tune mechanical properties such as stiffness and the versatility of biomaterials is assessed, alongside applications of hydrogels with iPSC-CMs. Natural hydrogels often display higher biocompatibility with iPSC-CMs but often degrade quicker, whereas synthetic hydrogels can be modified to facilitate cell attachment and decrease degradation rates. iPSC-CM structure and electrophysiology can be assessed on natural and synthetic hydrogels, often resolving issues such as immaturity of iPSC-CMs. Biomaterial hydrogels can thus provide a more physiological model of the cardiac extracellular matrix compared to traditional 2D models, with the cardiac field expansively utilising hydrogels to recapitulate disease conditions such as stiffness, encourage alignment of iPSC-CMs and facilitate further model development such as engineered heart tissues (EHTs).
Antimicrobial Activity of Biogenic Metal Oxide Nanoparticles and Their Synergistic Effect on Clinical Pathogens
Authors: Francis Dali Vilma , Jayakumar Manju Nidagodu , Ahmad Hafiz , Gokhale Trupti
Published: June 2023

The rising prevalence of antibiotic-resistance is currently a grave issue; hence, novel antimicrobial agents are being explored and developed to address infections resulting from multiple drug-resistant pathogens. Biogenic CuO, ZnO, and WO3 nanoparticles can be considered as such agents. Clinical isolates of E. coli, S. aureus, methicillin-resistant S. aureus (MRSA), and Candida albicans from oral and vaginal samples were treated with single and combination metal nanoparticles incubated under dark and light conditions to understand the synergistic effect of the nanoparticles and their photocatalytic antimicrobial activity. Biogenic CuO and ZnO nanoparticles exhibited significant antimicrobial effects under dark incubation which did not alter on photoactivation. However, photoactivated WO3 nanoparticles significantly reduced the number of viable cells by 75% for all the test organisms, thus proving to be a promising antimicrobial agent. Combinations of CuO, ZnO, and WO3 nanoparticles demonstrated synergistic action as a significant increase in their antimicrobial property (>90%) was observed compared to the action of single elemental nanoparticles. The mechanism of the antimicrobial action of metal nanoparticles both in combination and in isolation was assessed with respect to lipid peroxidation due to ROS (reactive oxygen species) generation by measuring malondialdehyde (MDA) production, and the damage to cell integrity using live/dead staining and quantitating with the use of flow cytometry and fluorescence microscopy.
Macrophage Cell Membrane Coating on Piperine-Loaded MIL-100(Fe) Nanoparticles for Breast Cancer Treatment
Authors: Quijia Christian Rafael , Navegante Geovana , Sábio Rafael Miguel , Valente Valeria , Ocaña Alberto , Alonso-Moreno Carlos , Frem Regina Célia Galvão , Chorilli Marlus
Published: June 2023

Piperine (PIP), a compound found in Piper longum, has shown promise as a potential chemotherapeutic agent for breast cancer. However, its inherent toxicity has limited its application. To overcome this challenge, researchers have developed PIP@MIL-100(Fe), an organic metal–organic framework (MOF) that encapsulates PIP for breast cancer treatment. Nanotechnology offers further treatment options, including the modification of nanostructures with macrophage membranes (MM) to enhance the evasion of the immune system. In this study, the researchers aimed to evaluate the potential of MM-coated MOFs encapsulated with PIP for breast cancer treatment. They successfully synthesized MM@PIP@MIL-100(Fe) through impregnation synthesis. The presence of MM coating on the MOF surface was confirmed through SDS-PAGE analysis, which revealed distinct protein bands. Transmission electron microscopy (TEM) images demonstrated the existence of a PIP@MIL-100(Fe) core with a diameter of around 50 nm, surrounded by an outer lipid bilayer layer measuring approximately 10 nm in thickness. Furthermore, the researchers evaluated the cytotoxicity indices of the nanoparticles against various breast cancer cell lines, including MCF-7, BT-549, SKBR-3, and MDA. The results demonstrated that the MOFs exhibited between 4 and 17 times higher cytotoxicity (IC50) in all four cell lines compared to free PIP (IC50 = 193.67 ± 0.30 µM). These findings suggest that MM@PIP@MIL-100(Fe) holds potential as an effective treatment for breast cancer. The study’s outcomes highlight the potential of utilizing MM-coated MOFs encapsulated with PIP as an innovative approach for breast cancer therapy, offering improved cytotoxicity compared to free PIP alone. Further research and development are warranted to explore the clinical translation and optimize the efficacy and safety of this treatment strategy.
Machine Learning Methods for Pregnancy and Childbirth Risk Management
Authors: Kopanitsa Georgy , Metsker Oleg , Kovalchuk Sergey
Published: June 2023

Machine learning methods enable medical systems to automatically generate data-driven decision support models using real-world data inputs, eliminating the need for explicit rule design. In this research, we investigated the application of machine learning methods in healthcare, specifically focusing on pregnancy and childbirth risks. The timely identification of risk factors during early pregnancy, along with risk management, mitigation, prevention, and adherence management, can significantly reduce adverse perinatal outcomes and complications for both mother and child. Given the existing burden on medical professionals, clinical decision support systems (CDSSs) can play a role in risk management. However, these systems require high-quality decision support models based on validated medical data that are also clinically interpretable. To develop models for predicting childbirth risks and due dates, we conducted a retrospective analysis of electronic health records from the perinatal Center of the Almazov Specialized Medical Center in Saint-Petersburg, Russia. The dataset, which was exported from the medical information system, consisted of structured and semi-structured data, encompassing a total of 73,115 lines for 12,989 female patients. Our proposed approach, which includes a detailed analysis of predictive model performance and interpretability, offers numerous opportunities for decision support in perinatal care provision. The high predictive performance achieved by our models ensures precise support for both individual patient care and overall health organization management.
Effects of Livelihood Capital on the Farmers’ Behavioral Intention of Rural Residential Land Development Right Transfer: Evidence from Wujin District, Changzhou City, China
Authors: Zhang Ting , Li Jia , Wang Yan
Published: June 2023

In the process of rapid urbanization and industrialization, there is a significant gap between farmers’ participation and rural homestead reorganization for the more diversified external environment. Despite considerable research focused on homestead withdrawal, the transfer of rural residential land development rights has received comparatively little attention. To realize the optimal use of rural homesteads’ resources and reducing potential living risks, this paper conducted an empirical study on the impact of farmers’ livelihood capital on their behavioral intention of rural residential land development right transfer within Wujin District as an example by incorporating the concepts of livelihood capital and risk perception into the theory of planned behavior (TPB). The results of this research show that the increase in livelihood capital may reduce the level of risk perception. The livelihood capital influences farmers’ intentions towards rural residential land development right transfer through risk perception and individual cognition. Based on the findings of this study, it is suggested to diversify livelihood strategies and improve the quality of livelihood capital, in order to reduce the constraint impact of risk perception on farmers’ behavioral intention (BI).
N-(diisopropylphosphanyl)benzamide
Authors: Alcaide María M. , Garrido Daniel García , Álvarez Eleuterio , Peloso Riccardo
Published: June 2023

N-(diisopropylphosphanyl)benzamide, PhC(O)NHPiPr2, has been synthesized in good yield following two alternative procedures that employ benzamide as the starting material. The first one is a two-step preparation, in which N-(trimetilsilyl)benzamide is reacted with PiPr2Cl to give the title compound in good yield, whereas the second one is a straightforward synthesis which converts benzamide into N-(diisopropylphosphanyl)benzamide by reaction with PiPr2Cl in the presence of N,N-dimethylpyridin-4-amine (DMAP) and triethylamine. NMR spectroscopy and X-ray diffraction analyses have been performed to characterize the new compound and elucidate its molecular structure in the solid state. N-(diisopropylphosphanyl)benzamide adds to the limited family of amido-substituted phosphines, RC(O)NHPR’2, which can be classified as bidentate hybrid P,O-ligands, both in their neutral and anionic forms, the latter achievable by deprotonation of the NH group.
Quantum Graph Neural Network Models for Materials Search
Authors: Ryu Ju-Young , Elala Eyuel , Rhee June-Koo Kevin
Published: June 2023

Inspired by classical graph neural networks, we discuss a novel quantum graph neural network (QGNN) model to predict the chemical and physical properties of molecules and materials. QGNNs were investigated to predict the energy gap between the highest occupied and lowest unoccupied molecular orbitals of small organic molecules. The models utilize the equivariantly diagonalizable unitary quantum graph circuit (EDU-QGC) framework to allow discrete link features and minimize quantum circuit embedding. The results show QGNNs can achieve lower test loss compared to classical models if a similar number of trainable variables are used, and converge faster in training. This paper also provides a review of classical graph neural network models for materials research and various QGNNs.
Bridging the Gap: Assessing Material Performance of Laboratory Specimens and Concrete Structures
Authors: Lozano-Valcarcel Juan M. , Ov David , Kränkel Thomas , Gehlen Christoph , Breitenbücher Rolf
Published: June 2023

Chloride ingress and carbonation pose a significant risk of steel rebar corrosion in concrete structures. Various models exist to simulate the initiation phase of rebar corrosion, addressing both carbonation and chloride ingress mechanisms separately. These models also consider the environmental loads and material resistances, typically determined through laboratory testing based on specific standards. However, recent findings show significant differences between material resistances obtained from standardized laboratory specimens and those extracted from real structures, with the latter exhibiting inferior performance on average. To address this issue, a comparative study was conducted between laboratory specimens and on-site test walls or slabs, all cast using the same concrete batch. This study encompassed five construction sites featuring different concrete compositions. While laboratory specimens adhered to European curing standards, the walls were subjected to formwork curing for a predetermined period (typically 7 days) to simulate practical conditions. In some instances, a portion of the test walls/slabs received only one day of surface curing to emulate inadequate curing conditions. Subsequent testing of compressive strength and resistance to chloride ingress revealed that field specimens exhibited lower material resistance compared to their laboratory counterparts. This trend was also observed in the modulus of elasticity and carbonation rate. Notably, shorter curing periods further compromised performance, particularly resistance to chloride ingress and carbonation. These findings highlight the importance of establishing acceptance criteria not only for concrete delivered to construction sites but also for ensuring the quality of the actual structure.
Influence of Functionally Graded Protective Coating on the Temperature in a Braking System
Authors: Yevtushenko Aleksander , Topczewska Katarzyna , Zamojski Przemysław
Published: June 2023

A mathematical model of heat generation due to friction in a disc–pad braking system was developed with consideration of a thermal barrier coating (TBC) on the friction surface of the disc. The coating was made of functionally graded material (FGM). The three-element geometrical scheme of the system consisted of two homogeneous half-spaces (pad and disc) and a functionally graded coating (FGC) deposited on the friction surface of the disc. It was assumed that the frictional heat generated on the coating-pad contact surface was absorbed to the insides of friction elements along the normal to this surface. Thermal contact of friction between the coating and the pad as well as the heat contact between the coating and the substrate were perfect. On the basis of such assumptions, the thermal friction problem was formulated, and its exact solution was obtained for constant and linearly descending specific friction power over time. For the first case, the asymptotic solutions for small and large values of time were also found. A numerical analysis was performed on an example of the system containing a metal ceramic (FMC-11) pad, sliding on the surface of a FGC (ZrO2–Ti-6Al-4V) applied on a cast iron (ChNMKh) disc. It was established that the application of a TBC made of FGM on the surface of a disc could effectively reduce the level of temperature achieved during braking.
Atomic Force Microscopy Imaging of Elastin Nanofibers Self-Assembly
Authors: Sambani Kyriaki , Kontomaris Stylianos Vasileios , Yova Dido
Published: June 2023

Elastin is an extracellular matrix protein, providing elasticity to the organs, such as skin, blood vessels, lungs and elastic ligaments, presenting self-assembling ability to form elastic fibers. The elastin protein, as a component of elastin fibers, is one of the major proteins found in connective tissue and is responsible for the elasticity of tissues. It provides resilience to the human body, assembled as a continuous mesh of fibers that require to be deformed repetitively and reversibly. Thus, it is of great importance to investigate the development of the nanostructural surface of elastin-based biomaterials. The purpose of this research was to image the self-assembling process of elastin fiber structure under different experimental parameters such as suspension medium, elastin concentration, temperature of stock suspension and time interval after the preparation of the stock suspension. atomic force microscopy (AFM) was applied in order to investigate how different experimental parameters affected fiber development and morphology. The results demonstrated that through altering a number of experimental parameters, it was possible to affect the self-assembly procedure of elastin fibers from nanofibers and the formation of elastin nanostructured mesh consisting of naturally occurring fibers. Further clarification of the contribution of different parameters on fibril formation will enable the design and control of elastin-based nanobiomaterials with predetermined characteristics.
Improved Electrical Characteristics of Field Effect Transistors with GeSeTe-Based Ovonic Threshold Switching Devices
Authors: Lee Su Yeon , Seo Hyun Kyu , Jeong Se Yeon , Yang Min Kyu
Published: June 2023

Hyper-field effect transistors (hyper-FETs) are crucial in the development of low-power logic devices. With the increasing significance of power consumption and energy efficiency, conventional logic devices can no longer achieve the required performance and low-power operation. Next-generation logic devices are designed based on complementary metal-oxide-semiconductor circuits, and the subthreshold swing of existing metal-oxide semiconductor field effect transistors (MOSFETs) cannot be reduced below 60 mV/dec at room temperature owing to the thermionic carrier injection mechanism in the source region. Therefore, new devices must be developed to overcome these limitations. In this study, we present a novel threshold switch (TS) material, which can be applied to logic devices by employing ovonic threshold switch (OTS) materials, failure control of insulator–metal transition materials, and structural optimization. The proposed TS material is connected to a FET device to evaluate its performance. The results demonstrate that commercial transistors connected in series with GeSeTe-based OTS devices exhibit significantly lower subthreshold swing values, high on/off current ratios, and high durability of up to 108.
Experiment Study on Damage Properties and Acoustic Emission Characteristics of Layered Shale under Uniaxial Compression
Authors: Chen Binke , Zhang Zhiqiang , Lan Qingnan , Liu Zheng , Tan Yinjun
Published: June 2023

The gently tilt-layered shale displays anisotropic behavior and includes structural planes that cause the rock to exhibit weakened features. As a result, the load-bearing capacity and failure mechanisms of this type of rock differ significantly from those of other rock types. A series of uniaxial compression tests were performed on shale samples from the Chaoyang Tunnel to investigate damage evolution patterns and typical failure characteristics of gently tilt-layered shale. An acoustic emission testing system was incorporated to analyze the acoustic emission parameters of the shale samples during the loading process. The results indicate that the failure modes of the gently tilt-layered shale are significantly correlated with the structural plane angles and water content. The shale samples gradually transition from tension failure to tension-shear compound failure as the structural plane angles and water content increase, with an increasing level of damage. The maximum values of AE ringing counts and AE energy for shale samples with diverse structural plane angles and water content are reached near the peak stress and serve as precursors to rock failure. The primary factor influencing the failure modes of the rock samples is the structural plane angle. The precise correspondence between the structural plane angle, water content, crack propagation patterns, and failure modes of gently tilted layered shale can be captured by the distribution of the RA-AF values.
Diffusion and Interdiffusion Study at Al- and O-Terminated Al2O3/AlSi12 Interface Using Molecular Dynamics Simulations
Authors: Tahani Masoud , Postek Eligiusz , Sadowski Tomasz
Published: June 2023

The equivalent characteristics of the materials’ interfaces are known to impact the overall mechanical properties of ceramic–metal composites significantly. One technological method that has been suggested is raising the temperature of the liquid metal to improve the weak wettability of ceramic particles with liquid metals. Therefore, as the first step, it is necessary to produce the diffusion zone at the interface by heating the system and maintaining it at a preset temperature to develop the cohesive zone model of the interface using mode I and mode II fracture tests. This study uses the molecular dynamics method to study the interdiffusion at the interface of α-Al2O3/AlSi12. The hexagonal crystal structure of aluminum oxide with the Al- and O-terminated interfaces with AlSi12 are considered. A single diffusion couple is used for each system to determine the average main and cross ternary interdiffusion coefficients. In addition, the effect of temperature and the termination type on the interdiffusion coefficients is examined. The results demonstrate that the thickness of the interdiffusion zone is proportional to the annealing temperature and time, and Al- and O-terminated interfaces exhibit similar interdiffusion properties.
Corrosion Behaviors of Outdoor Bronze Sculptures in an Urban–Industrial Environment: Corrosion Experiment on Artificial Sulfide Patina
Authors: Kwon Heehong , Cho Namchul
Published: June 2023

Copper alloys interact with air pollutants to form corrosion products and, consequently, a patina on outdoor bronze sculptures. In this study, corrosion experiments were conducted to clarify the corrosion behaviors of artificial sulfide patina in an urban–industrial environment on a quaternary bronze alloy (Cu–Zn–Sn–Pb) with a composition and metallurgical properties similar to those of outdoor bronze sculptures. The correlation between the chromaticity and reflectance of the patina revealed increasing brochantite with the corrosion of the patina and an association between the chromaticity a* and patina growth. Cuprite and brochantite were distinguished, and the point at which brochantite covered the patina surface was determined. The quantitative changes in brochantite were mainly influenced by physical causes such as the crystal size and patina layer thickness as well as by Cu2+ ions working as color formation ions moving to the outermost layer. Atmospheric corrosion of the alloy resulted in reduced Cu and Zn contents and increased Sn and Pb contents. The patina consisted of brochantite in the outermost layer and cuprite and cassiterite in the inner layers. These findings should clarify corrosion characteristics such as the surface color, composition, and changes in corrosion products of outdoor bronze sculptures and contribute toward their preservation.
Study of an Impact Mill-Based Mechanical Method for NdFeB Magnet Recycling
Authors: Pošković Emir , Franchini Fausto , Ceroni Marta , Innocenti Claudia , Ferraris Luca , Sangregorio Claudio , Caneschi Andrea , Actis Grande Marco
Published: June 2023

Nowadays, the circular economy is gaining more and more attention in sectors where the raw material supply is critical for both cost and geo-political reasons. Moreover, the environmental impact issue calls for recycling. From this perspective, the recovery of rare earth elements represents a strategic point. On the other hand, the high cost and the dangerous standard recovery methods that apply to NdFeB magnets limits options for traditional recycling. A new mechanical method is proposed, not requiring hydrogen, high temperature, or chemical processes, but instead using an impact mill designed to operate in vacuum. A traditional impact mill operating in a glove box filled with Ar atmosphere has also been used for comparison. The obtained NdFeB powders were analyzed in terms of magnetic properties and chemical composition, particularly in terms of the oxygen content.
Understanding Transcription Factors and How They Affect Processes in Cucumber Sex Determination
Authors: Turek Szymon , Aparna  , Skarzyńska Agnieszka , Pląder Wojciech , Pawełkowicz Magdalena
Published: June 2023

Plant reproduction is a fundamental process on Earth from the perspective of biodiversity, biomass gain, and crop productivity. It is therefore important to understand the sex determination process, and many researchers are investigating the molecular basis of this phenomenon. However, information on the influence of transcription factors (TFs), genes that encode DNA-binding proteins, on this process is limited, although cucumber is a model plant in this regard. In the present study, based on RNA-seq data for differentially expressed genes (DEGs), we aimed to investigate the regulatory TFs that may influence the metabolic processes in the shoot apex containing the forming flower buds. Therefore, the annotation of the genome of the B10 cucumber line was supplemented with the assigned families of transcription factors. By performing ontology analyses of the DEGs, the processes they participate in were identified, and TFs were located among the results. In addition, TFs that have significantly overrepresented targets among DEGs were detected, and sex-specific interactome network maps were generated, indicating the regulatory TFs based on their effects on DEGs and furthermore, on the processes leading to the formation of different-sex flowers. Among the most overrepresented TF families in the sex comparisons were the NAC, bHLH, MYB, and bZIP families. An interaction network analysis indicated the most abundant families among DEGs’ regulatory TFs were MYB, AP2/ERF, NAC, and bZIP, and those with the most significant impact on developmental processes were identified, namely the AP/ERF family, followed by DOF, MYB, MADS, and others. Thus, the networks’ central nodes and key regulators were identified with respect to male, female, and hermaphrodite forms. Here, we proposed the first model of the regulatory network of TFs that influences the metabolism of sex development in cucumber. These findings may help us to understand the molecular genetics and functional mechanisms underlying sex determination processes.
The Relationship between Phthalates and Diabetes: A Review
Authors: Mariana Melissa , Cairrao Elisa
Published: June 2023

Since the beginning of their production, in the 1930s, phthalates have been widely used in the plastics industry to provide durability and elasticity to polymers that would otherwise be rigid, or as solvents in hygiene and cosmetic products. Taking into account their wide range of applications, it is easy to understand why their use has been increasing over the years, making them ubiquitous in the environment. This way, all living organisms are easily exposed to these compounds, which have already been classified as endocrine disruptor compounds (EDC), affecting hormone homeostasis. Along with this increase in phthalate-containing products, the incidence of several metabolic diseases has also been rising, namely diabetes. That said, and considering that factors such as obesity and genetics are not enough to explain this substantial increase, it has been proposed that the exposure to environmental contaminants may also be a risk factor for diabetes. Thus, the aim of this work is to review whether there is an association between the exposure to phthalates and the development of the several forms of diabetes mellitus, during pregnancy, childhood, and adulthood.
Improvement of Dynamic On-Resistance in GaN-Based Devices with a High-Quality In Situ SiN Passivation Layer
Authors: Kim Jeong-Gil , Lee Jun-Hyeok , Kang Dong-Min , Lee Jung-Hee
Published: June 2023

In this paper, we compared the characteristics of normally-on/off AlGaN/GaN MISHEMTs passivated by an in situ/ex situ SiN layer. The devices passivated by the in situ SiN layer revealed enhanced DC characteristics, such as the drain current of 595 mA/mm (normally-on) and 175 mA/mm (normally-off) with the high on/off current ratio of ~107, respectively, compared with those of the devices passivated by the ex situ SiN layer. The MISHEMTs passivated by the in situ SiN layer also exhibited a much lower increase of dynamic on-resistance (RON) of 4.1% for the normally-on device and 12.8% for the normally-off device, respectively. Furthermore, the breakdown characteristics are greatly improved by employing the in situ SiN passivation layer, suggesting that the in situ SiN passivation layer can remarkably not only suppress the surface-trapping effects, but also decrease the off-state leakage current in the GaN-based power devices.
Study on the Thermal Distribution Characteristics of a Molten Quartz Ceramic Surface under Quartz Lamp Radiation
Authors: Chen Hao , Li Wei , Zhu Shimin , Hou Aiqiang , Liu Tao , Xu Jiangshan , Zhang Xiaowei , Yi Zao , Yi Yougen , Dai Bo
Published: June 2023

More and more researchers are studying the heat transfer performance of aeronautical materials at high temperatures. In this paper, we use a quartz lamp to irradiate fused quartz ceramic materials, and the sample surface temperature and heat flux distribution were obtained at a heating power of 45~150 kW. Furthermore, the heat transfer properties of the material were analyzed using a finite element method and the effect of surface heat flow on the internal temperature field was investigated. The results show that the fiber skeleton structure has a significant effect on the thermal insulation performance of fiber-reinforced fused quartz ceramics and the longitudinal heat transfer along the rod fiber skeleton is slower. As time passes, the surface temperature distribution tends to stability and reaches an equilibrium state. The surface temperature of fused quartz ceramic increases with the increase in the radiant heat flux of the quartz lamp array. When the input power is 5 kW, the maximum surface temperature of the sample can reach 1153 °C. However, the non-uniformity of the sample surface temperature also increases, reaching a maximum uncertainty of 12.28%. The research in this paper provides important theoretical guidance for the heat insulation design of ultra-high acoustic velocity aircraft.
Optimizing Semi-Airborne Electromagnetic Survey Design for Mineral Exploration
Authors: Nazari Saeed , Rochlitz Raphael , Günther Thomas
Published: June 2023

As semi-airborne mineral exploration has a limited budget, it is critical to design experimental procedures that generate data to maximize desired information. We investigated the effects of transmitter–receiver geometries for a variety of anomalies and semi-airborne layouts. Our simulations indicated that flight line spacing of 200 m and a point distance of 100 m provides the optimal trade-off between coverage and survey progress for various targets. Based on the target size and distance between the transmitter and the target, the transmitter length should be at least equal to the length of the target. However, where the distance between the transmitter and the target is more than 1 km, the transmitter length should be at least two or three times the target size. Of similar importance are the location and direction of the transmitter cables, which can have a significant impact on the result of inversion and should be parallel to the target strike. By using more than one transmitter, better results can be obtained. If the strike of the target is known, transmitters should be parallel to each other, and if not, it is better to use perpendicular transmitters. The results of this study showed that the optimal distance between transmitters is 3 km. Our simulations showed that it is even possible to recover targets just below the transmitter in corresponding areas of masked data.
High-Strength Double-Network Conductive Hydrogels Based on Polyvinyl Alcohol and Polymerizable Deep Eutectic Solvent
Authors: Zhang Yihan , Jiang Lei , Zhang Haibing , Li Qingyin , Ma Ning , Zhang Xinyue , Ma Li
Published: June 2023

Conductive hydrogels feature the flexibility of soft materials plus conductive properties providing functionality for effectively sticking to the epidermis and detecting human activity signals. Their stable electrical conductivity also effectively avoids the problem of uneven distribution of solid conductive fillers inside traditional conductive hydrogels. However, the simultaneous integration of high mechanical strength, stretchability, and transparency through a simple and green fabrication method remains a great challenge. Herein, a polymerizable deep eutectic solvent (PDES) composed of choline chloride and acrylic acid was added to a biocompatible PVA matrix. The double-network hydrogels were then simply prepared by thermal polymerization and one freeze-thaw method. The introduction of the PDES significantly improved the tensile properties (1.1 MPa), ionic conductivity (2.1 S/m), and optical transparency (90%) of the PVA hydrogels. When the gel sensor was fixed to human skin, real-time monitoring of a variety of human activities could be implemented with accuracy and durability. Such a simple preparation method performed by combining a deep eutectic solvent with traditional hydrogels offers a new avenue to construct multifunctional conductive hydrogel sensors with excellent performance.
DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein–Ligand Interaction Prediction
Authors: Zhang Haiping , Saravanan Konda Mani , Zhang John Z. H.
Published: June 2023

The core of large-scale drug virtual screening is to select the binders accurately and efficiently with high affinity from large libraries of small molecules in which non-binders are usually dominant. The binding affinity is significantly influenced by the protein pocket, ligand spatial information, and residue types/atom types. Here, we used the pocket residues or ligand atoms as the nodes and constructed edges with the neighboring information to comprehensively represent the protein pocket or ligand information. Moreover, the model with pre-trained molecular vectors performed better than the one-hot representation. The main advantage of DeepBindGCN is that it is independent of docking conformation, and concisely keeps the spatial information and physical–chemical features. Using TIPE3 and PD-L1 dimer as proof-of-concept examples, we proposed a screening pipeline integrating DeepBindGCN and other methods to identify strong-binding-affinity compounds. It is the first time a non-complex-dependent model has achieved a root mean square error (RMSE) value of 1.4190 and Pearson r value of 0.7584 in the PDBbind v.2016 core set, respectively, thereby showing a comparable prediction power with the state-of-the-art affinity prediction models that rely upon the 3D complex. DeepBindGCN provides a powerful tool to predict the protein–ligand interaction and can be used in many important large-scale virtual screening application scenarios.
Vibronic and Cationic Features of 2-Fluorobenzonitrile and 3-Fluorobenzonitrile Studied by REMPI and MATI Spectroscopy and Franck–Condon Simulations
Authors: Li Shuxian , Zhao Yan , Jiao Yuechun , Zhao Jianming , Li Changyong , Jia Suotang
Published: June 2023

Fluorinated organic compounds have superior physicochemical properties than general organic compounds due to the strong C-F single bond; they are widely used in medicine, biology, pesticides, and materials science. In order to gain a deeper understanding of the physicochemical properties of fluorinated organic compounds, fluorinated aromatic compounds have been investigated by various spectroscopic techniques. 2-fluorobenzonitrile and 3-fluorobenzonitrile are important fine chemical intermediates and their excited state S1 and cationic ground state D0 vibrational features remain unknown. In this paper, we used two-color resonance two photon ionization (2-color REMPI) and mass analyzed threshold ionization (MATI) spectroscopy to study S1 and D0 state vibrational features of 2-fluorobenzonitrile and 3-fluorobenzonitrile. The precise excitation energy (band origin) and adiabatic ionization energy were determined to be 36,028 ± 2 cm−1 and 78,650 ± 5 cm−1 for 2-fluorobenzonitrile and 35,989 ± 2 cm−1 and 78,873 ± 5 cm−1 for 3-fluorobenzonitrile, respectively. The density functional theory (DFT) at the levels of RB3LYP/aug-cc-pvtz, TD-B3LYP/aug-cc-pvtz, and UB3LYP/aug-cc-pvtz were used to calculate the stable structures and vibrational frequencies for the ground state S0, excited state S1, and cationic ground state D0, respectively. Franck–Condon spectral simulations for transitions of S1 ← S0 and D0 ← S1 were performed based on the above DFT calculations. The theoretical and experimental results were in good agreement. The observed vibrational features in S1 and D0 states were assigned according to the simulated spectra and the comparison with structurally similar molecules. Several experimental findings and molecular features were discussed in detail.
Healthy Eating for All? The Challenge of Adhering to Dietary Guidelines for Low-Income Groups in China
Authors: Yin Jingjing , Hua Jingfen , Zhang Xinhuan , Tuyishimire Alexandre , Yang Degang
Published: June 2023

The Chinese Dietary Guidelines propose a balanced diet for healthy living, but the affordability of this diet needs to be considered, especially for low-income households. To investigate the affordability of a healthy diet, this study analyzes the daily retail prices of 46 food items in 36 Chinese cities from 2016 to 2021. This study compares expenditure, diet composition, and nutritional status in two scenarios aligned with the guidelines. The results show that the mean minimum cost of a balanced diet exceeds the current per capita food expenditure for at least 182.85 million urban households. This suggests that low-income people would need to increase their expenditure by at least 20–121% to achieve the recommended diets. This study also identifies affordable and nutrient-dense foods such as standard flour, eggs, black beans, and cabbage, which policymakers should focus on when monitoring food prices. The findings recommend a combination of social and food system policies to reduce prices and make healthy diets accessible. This study identifies the gaps in the Chinese Dietary Guidelines for ensuring accessibility for vulnerable groups and provides a template for policymakers and researchers to track diet affordability using available food price data in China, contributing to China’s 2030 Health Plan and the UN’s Sustainable Development Goals.
Using Machine-Learning to Assess the Prognostic Value of Early Enteral Feeding Intolerance in Critically Ill Patients: A Retrospective Study
Authors: Raphaeli Orit , Statlender Liran , Hajaj Chen , Bendavid Itai , Goldstein Anat , Robinson Eyal , Singer Pierre
Published: June 2023

Background: The association between gastrointestinal intolerance during early enteral nutrition (EN) and adverse clinical outcomes in critically ill patients is controversial. We aimed to assess the prognostic value of enteral feeding intolerance (EFI) markers during early ICU stays and to predict early EN failure using a machine learning (ML) approach. Methods: We performed a retrospective analysis of data from adult patients admitted to Beilinson Hospital ICU between January 2011 and December 2018 for more than 48 h and received EN. Clinical data, including demographics, severity scores, EFI markers, and medications, along with 72 h after admission, were analyzed by ML algorithms. Prediction performance was assessed by the area under the receiver operating characteristics (AUCROC) of a ten-fold cross-validation set. Results: The datasets comprised 1584 patients. The means of the cross-validation AUCROCs for 90-day mortality and early EN failure were 0.73 (95% CI 0.71–0.75) and 0.71 (95% CI 0.67–0.74), respectively. Gastric residual volume above 250 mL on the second day was an important component of both prediction models. Conclusions: ML underlined the EFI markers that predict poor 90-day outcomes and early EN failure and supports early recognition of at-risk patients. Results have to be confirmed in further prospective and external validation studies.
Efficacy of Different Dietary Patterns in the Treatment of Functional Gastrointestinal Disorders in Children and Adolescents: A Systematic Review of Intervention Studies
Authors: Katsagoni Christina N. , Karagianni Vasiliki-Maria , Papadopoulou Alexandra
Published: June 2023

Functional gastrointestinal disorders (FGIDs) are common in children and adolescents. In recent years, interest in the role of diet in the treatment of FGIDs has increased. Currently, interest focuses on the low-FODMAP diet (LFD), the fructose- or lactose-restricted diet (FRD or LRD), the gluten-free diet (GFD), and the Mediterranean diet (MD). In this review, we focus on the role of these dietary patterns in the FGIDs most commonly diagnosed in clinical practice, namely irritable bowel syndrome (IBS), functional abdominal pain (FAP), functional dyspepsia (FD), and functional constipation (FC). Fifteen clinical trials were systematically reviewed (both RCTs and single-arm clinical trials). We demonstrated the lack of high-quality intervention trials. Based on current evidence, low-FODMAP diet, LRD, FRD, and GFD have no place in daily clinical practice for the management of children and adolescents with FGIDs. Nevertheless, some patients with IBS or RAP may experience some benefit from the use of a low-FODMAP diet or FRD/LRD. Limited data suggest that MD may be promising in the management of FGIDs, especially in IBS patients, but more data are required to investigate the mechanisms of its protective effects.
Antioxidant, Anti-Inflammatory, Antimicrobial, and Anticancer Activities of Pomegranate Juice Concentrate
Authors: Habib Hosam M. , El-Gendi Hamada , El-Fakharany Esmail M. , El-Ziney Mohamed G. , El-Yazbi Ahmed F. , Al Meqbaali Fatima T. , Ibrahim Wissam H.
Published: June 2023

Pomegranate juice concentrate (PJC) is a rich source of polyphenols, which exhibit significant antioxidant activity and potential health benefits for disease prevention and therapy. In this study, the polyphenolic profile of PJC was investigated for the first time, and it was found that PJC can inhibit oxidative damage to bovine serum albumin (BSA) and deoxyribonucleic acid (DNA), as well as acetylcholinesterase, α-amylase, and tyrosinase activities. The primary polyphenols identified in PJC were 4-Hydroxy-3-Methoxybenzoate, epicatechin, catechin, rutin, ferulic acid, P-coumaric acid, and cinnamic acid. Additionally, PJC demonstrated potent antibacterial effects against human pathogens such as Streptococcus mutans and Aeromonas hydrophila and dose-dependently reduced the proliferation of colorectal, breast, and hepatic cancer cells via apoptosis. Furthermore, PJC blocked B-cell lymphoma 2 (BCl-2) and the expression of a potent cyclin-dependent kinase inhibitor (P21) and enhanced tumor protein (P53) expression, compared to both untreated cells and cells treated with fluoropyrimidine 5-fluorouracil (5-FU). As a result, PJC may be a beneficial ingredient in the formulation of emerging natural-compound-based chemotherapy and functional foods and could be utilized by the food, nutraceutical, and pharmaceutical industries.
Beneficial Effects of Indigenous Probiotics in High-Cholesterol Diet-Induced Hypercholesterolemic Rats
Authors: Puttarat Narathip , Kasorn Anongnard , Vitheejongjaroen Porntipha , Chantarangkul Chantanapa , Tangwattanachuleeporn Marut , Taweechotipatr Malai
Published: June 2023

Hypercholesterolemia is a significant risk factor for cardiovascular disease and metabolic disorders. Probiotics are the essential constituents of the gastrointestinal microbiota that provide health-promoting effects. Cholesterol-lowering activity is a specific property of probiotics, improving the cholesterol metabolism without adverse effects. Thus, the purpose of this study was to investigate the hypocholesterolemic effect of single and mixed cholesterol-lowering probiotic strains (including Limosilactobacillus reuteri TF-7, Enterococcus faecium TF-18, and Bifidobacterium animalis TA-1) in high-cholesterol diet (HCD)-induced hypercholesterolemic rats. The results showed that the administration of single probiotics contributed to a reduction in the body weight gain, visceral organ indexes, hyperlipidemia, and hepatic steatosis and also an improvement in the gastrointestinal microbiota. Besides the effect of single cholesterol-lowering probiotics, three probiotics strains could also synergize their hypocholesterolemic effect when administered simultaneously. These findings indicate that three cholesterol-lowering probiotic strains are suitable for development as probiotic supplements to reduce the risk of diseases caused by cholesterol and exert health benefits with synergistic effect when administered simultaneously.
Food Network Analysis in Non-Obese Patients with or without Steatosis
Authors: Donghia Rossella , Pesole Pasqua Letizia , Coletta Sergio , Bonfiglio Caterina , De Pergola Giovanni , De Nucci Sara , Rinaldi Roberta , Giannelli Gianluigi
Published: June 2023

Background: Steatosis is the most common liver disease worldwide and the leading cause of liver-associated morbidity and mortality. The aim of this study was to explore the differences in blood parameters and dietary habits in non-obese patients with and without steatosis. Methods: The present study included 987 participants with BMI < 30, assessed in the fourth recall of the MICOL study. Patients were divided by steatosis grade, and a validated food frequency questionnaire (FFQ) with 28 food groups was administered. Results: The prevalence of non-obese participants with steatosis was 42.86%. Overall, the results indicated many statistically significant blood parameters and dietary habits. Analysis of dietary habits revealed that non-obese people with or without steatosis had similar dietary habits, although higher daily amounts of red meat, processed meat, ready meals, and alcohol were recorded in participants with liver disease (p < 0.05). Conclusions: Many differences were found in non-obese people with and without steatosis, but in light of a network analysis, the two groups demonstrated similar dietary habits, proving that pathophysiological, genetic, and hormonal patterns are probably the basis of their liver status, regardless of weight. Future genetic analyses will be performed to analyze the expression of genes involved in the development of steatosis in our cohort.
IgE-Mediated Shellfish Allergy in Children
Authors: Giovannini Mattia , Beken Burcin , Buyuktiryaki Betul , Barni Simona , Liccioli Giulia , Sarti Lucrezia , Lodi Lorenzo , Pontone Matteo , Bartha Irene , Mori Francesca , Sackesen Cansin , du Toit George , Lopata Andreas L. , Muraro Antonella
Published: June 2023

Shellfish, including various species of mollusks (e.g., mussels, clams, and oysters) and crustaceans (e.g., shrimp, prawn, lobster, and crab), have been a keystone of healthy dietary recommendations due to their valuable protein content. In parallel with their consumption, allergic reactions related to shellfish may be increasing. Adverse reactions to shellfish are classified into different groups: (1) Immunological reactions, including IgE and non-IgE allergic reactions; (2) non-immunological reactions, including toxic reactions and food intolerance. The IgE-mediated reactions occur within about two hours after ingestion of the shellfish and range from urticaria, angioedema, nausea, and vomiting to respiratory signs and symptoms such as bronchospasm, laryngeal oedema, and anaphylaxis. The most common allergenic proteins involved in IgE-mediated allergic reactions to shellfish include tropomyosin, arginine kinase, myosin light chain, sarcoplasmic calcium-binding protein, troponin c, and triosephosphate isomerase. Over the past decades, the knowledge gained on the identification of the molecular features of different shellfish allergens improved the diagnosis and the potential design of allergen immunotherapy for shellfish allergy. Unfortunately, immunotherapeutic studies and some diagnostic tools are still restricted in a research context and need to be validated before being implemented into clinical practice. However, they seem promising for improving management strategies for shellfish allergy. In this review, epidemiology, pathogenesis, clinical features, diagnosis, and management of shellfish allergies in children are presented. The cross-reactivity among different forms of shellfish and immunotherapeutic approaches, including unmodified allergens, hypoallergens, peptide-based, and DNA-based vaccines, are also addressed.