bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal, Microstructural, and Mechanical Analysis of Complex Lattice Structures Produced by Direct Energy Deposition
Authors: Andrade David G. , Zhu Carlos , Miranda Hélio C. , Rodrigues Dulce M.
Published: June 2024

Lattice structures have gained attention in engineering due to their lightweight properties. However, the complex geometry of lattice structures and the high melting temperature of metals present significant manufacturing challenges for the large-scale fabrication of these structures. Direct Energy Deposition (DED) methods, such as the Wire Arc Additive Manufacturing (WAAM) technique, appear to be an interesting solution for overcoming these limitations. This study provides a detailed analysis of the manufacturing process of carbon steel lattice structures with auxetic geometry. The study includes thermal analysis using infrared thermography, microstructural characterization through metallography, and mechanical evaluation via hardness and mechanical testing. The findings reveal the significant impact of heat input, thermal cycles, and deposition sequence on the morphology and mechanical properties of the lattice structures. Fast thermal cycles are related to areas with higher hardness values, smaller strut diameters, and porous formations, which shows that controlling heat input and heat dissipation is crucial for optimizing the properties of lattice structures produced using WAAM.
Experimental Study on Durability and Bond Properties of GFRP Resin Bolts
Authors: Lin Mingan , Zhang Fuming , Wang Wei
Published: June 2024

Glass fiber-reinforced polymer (GFRP) anchor bolts are a new type of high-performance nonmetallic anchor with significantly higher tensile strength, a lighter weight, better corrosion resistance, and a lower cost than steel bars. Therefore, exploring the durability and bonding performance of GFRP anchor systems is of great importance for the structural design of protective engineering, especially in coastal environments. However, insufficient research has been conducted on the durability of GFRP resin bolts in seawater conditions, with no universal standard on the pullout testing of GFRP bolts. To study the durability and bonding performance of GFRP resin bolts, durability experiments were conducted in this work using artificial seawater, and the pullout tests were conducted using a large-scale concrete platform with different compressive strengths (21.2, 40.8, and 61.3 MPa). The results of the durability experiments indicated that the strength variations of the GFRP rods and epoxy resin materials in artificial seawater environments were less than 5%. Subsequently, indoor pullout tests using steel tubes filled with epoxy resin were conducted, and the test results indicated a critical anchor length value. Pullout tests of the GFRP resin bolts embedded in large-scale concrete blocks were also conducted with different strengths. According to the test results, all GFRP resin bolts embedded in the three concrete blocks with different compressive strengths exhibited rod fracture failure. The failure mode was not controlled via the compressive strength of the concrete blocks due to the high bonding strength between the resin and the rod, as well as between the resin and the concrete. Therefore, this GFRP resin anchor system could fully utilize the tensile strength of GFRP rods. This research offers significant practical value in verifying the safety and reliability of GFRP resin bolts in corrosive marine service environments, and it contributes to the application and development of GFRP materials in the engineering field, serving as a valuable reference for the structural design and further study of GFRP bolts.
Simultaneously Regulating Electrochemical Corrosion Behavior and Wettability of Magnesium–Neodymium Alloy by Self-Layered Chemical Conversion Coating
Authors: Yang Keke , Kuang Yulian , Xu Bingqian , Liu Changyang , Wu Guosong
Published: June 2024

Rapid corrosion in aqueous solutions of magnesium alloys is one of the major obstacles to their wide application, and coating plays a crucial role in their corrosion protection. Recently, protection- and function-integrated coatings have attracted much attention in the research field of magnesium alloys. In this work, a simple chemical conversion process is proposed to fabricate a composite coating on a magnesium–neodymium alloy through immersion in an aqueous solution made of Ca(OH)2 and NaHCO3. After the immersion process, a coating consisting of two spontaneously formed layers is acquired. The top flower-like layer is composed of Mg5(OH)2(CO3)4∙4H2O, Mg(OH)2 and CaCO3, and the inner dense layer is speculated to be Mg(OH)2. Electrochemical impedance spectroscopy, polarization tests, and hydrogen evolution are combined to evaluate the corrosion resistance in simulated body fluid, simulated seawater solution, and simulated concrete pore solution, which reveals that the coated sample has better corrosion resistance than the uncoated one. After the coated sample is modified with fluorinated silane, a water-repellent surface can be achieved with an average water contact angle of 151.74° and a sliding angle of about 4°. Therefore, our results indicate that effective corrosion protection and potential self-cleaning ability have been integrated on the surface of the magnesium alloy in this study. In addition, the formation mechanism of the self-layered coating is discussed from the viewpoint of the interaction between the substrate and its external solution.
Effect of Oxidant Concentration on the Oxide Layer Thickness of 304 Stainless Steel
Authors: Wang Kerong , Liu Haixu , Liu Ning , Chen Xiaoming , Chen Jiapeng
Published: June 2024

Ultra-thin 304 stainless steel can be used to flexibly display substrates after they have been subjected to chemical mechanical polishing (CMP). The thickness of the chemical oxide layer directly affects the polishing efficiency and surface quality of 304 stainless steel. In the study presented in the following paper, the thickness variation of the chemical oxide layer of 304 stainless steel was analyzed following electrochemical corrosion under different oxidant concentration conditions. Furthermore, the impact of the oxidant concentration on the grooves, chips, and scratch depth–displacement–load curves was investigated during a nano-scratching experiment. Through this process, we were able to reveal the chemical reaction mechanism between 304 stainless steel materials and oxidizers. The corrosion rate was found to be faster at 8% oxidant content. The maximum values of the scratch depth and elastic–plastic critical load were determined to be 2153 nm and 58.47 mN, respectively.
Study on Stamping–Bulging Process of Thin-Walled Superalloy Diaphragm for S-Shaped Bellows
Authors: He Zhubin , Zhao Qingsong , Zhang Kun , Ning Jian , Xu Yi , Ruan Xianggang
Published: June 2024

A combined stamping–bulging forming process was proposed to achieve high-precision forming of large-diameter, ultra-thin-walled, superalloy welded S-type corrugated diaphragms. The underlying principle is to enhance the diaphragm’s forming accuracy by increasing the plastic deformation region and reducing springback. Using the ABAQUS version 6.14 finite element analysis software, finite element models were constructed for the stamping, hydraulic bulging, and combined stamping–bulging forming processes of the welded S-type metal corrugated diaphragms. A comparative analysis was conducted on the forming processes of the welded S-type metal corrugated diaphragms under the three forming methods, focusing on equivalent stress, distribution of wall thickness, and forming accuracy. This analysis determined the optimal forming process and the corresponding process parameters for superalloy welded S-type metal corrugated diaphragms. The results show that under a constant drawing force, as the bulging pressure increases, the plastic deformation of the straight sections of the diaphragm becomes more pronounced, resulting in improved shape accuracy. The combined stamping–bulging forming process guarantees the highest degree of shape accuracy for the diaphragm. The optimal process parameters were identified as a 30 t force and a 5 MPa pressure, with a maximum shape error of 0.02 mm. Concerning a plate thickness of 0.3 mm, the maximum deviation rate was found to be 6.7%, which represents a 30% improvement over traditional stamping processes. The maximum wall thinning rate was found to be 3.3%, a 1% reduction compared to traditional stamping processes, confirming the process’s feasibility.
Adsorption Behaviour of Pb and Cd on Graphene Oxide Nanoparticle from First-Principle Investigations
Authors: Nianga-Obambi Preslie Sala , Douma Dick Hartmann , Etindele Anne Justine , Raji Abdulrafiu Tunde , Malonda-Boungou Brice Rodrigue , M’Passi-Mabiala Bernard , Kenmoe Stephane
Published: June 2024

Graphene oxide (GO) is considered as a promising adsorbent material for the removal of metal from aqueous environments. Here, we have used the density functional theory (DFT) approach and a combination of parameters to characterise the interactions of GO with lead (Pb) and cadmium (Cd), i.e., typical harmful metals often found in water. Our model systems consist of a singly and doubly adsorbed neutral (Pb0, Cd0) and charged (Pb2+, Cd2+) atoms adsorbed on the GO nanoparticle of the chemical formula C30H14O15. We show that a single charged metal ion binds more strongly than a neutral atom of the same type. Moreover, to determine the possibility of multiple adsorptions of the GO nanoparticle, two metal atoms of the same species were co-adsorbed on its surface. We found a site-dependent adsorption energy such that when two atoms of the same specie are adsorbed at sites Si and Sj, the binding energy per atom depends on whether one of the two atoms is adsorbed firstly on the Si or Sj sites. Furthermore, the binding energy per atom for the two co-adsorbed atoms of the same specie (i.e., neutral or charged) is less than the binding energy of a singly adsorbed atom. This suggests that atoms may become less likely to be adsorbed on the GO nanoparticle when their concentration increases. We adduce the origin of this observation to be interplay between the metal–metal interaction on the one hand and GO–metal on the other, with the former resulting in less binding for the charged adsorbed metals in particular, due to repulsive interaction between two positively charged ions. The frontier molecular orbitals analysis and the calculated global reactivity descriptors of the respective GO–metal complexes revealed that all the GO–metal complexes have a smaller HOMO–LUMO gap (HLG) relative to that of pristine metal-free GO nanoparticle. This may indicate that although the GO–metal complexes are stable, they are less stable compared to metal-free GO nanoparticles. The negative values of the chemical potentials obtained for all the GO–metal complexes further confirm their stability. Our work differs from previous experimental studies in that those lacked details of the interaction mechanisms between GO, Pb and Cd, as well as previous theoretical studies which used limited numbers of parameters to characterise the GO–metal interactions. Rather, we present a set of parameters or descriptors which provide comprehensive physical and electronic characterisation of GO–metal systems as obtained via the DFT calculations. These parameters, along with those reported in previous studies, may find applications in rational design and high-throughput screening of graphene-based materials for water purification, as an example.
Microwave-Induced Processing of Free-Standing 3D Printouts: An Effortless Route to High-Redox Kinetics in Electroanalysis
Authors: Kozłowska Kornelia , Cieślik Mateusz , Koterwa Adrian , Formela Krzysztof , Ryl Jacek , Niedziałkowski Paweł
Published: June 2024

3D-printable composites have become an attractive option used for the design and manufacture of electrochemical sensors. However, to ensure proper charge-transfer kinetics at the electrode/electrolyte interface, activation is often required, with this step consisting of polymer removal to reveal the conductive nanofiller. In this work, we present a novel effective method for the activation of composites consisting of poly(lactic acid) filled with carbon black (CB-PLA) using microwave radiation. A microwave synthesizer used in chemical laboratories (CEM, Matthews, NC, USA) was used for this purpose, establishing that the appropriate activation time for CB-PLA electrodes is 15 min at 70 °C with a microwave power of 100 W. However, the usefulness of an 80 W kitchen microwave oven is also presented for the first time and discussed as a more sustainable approach to CB-PLA electrode activation. It has been established that 10 min in a kitchen microwave oven is adequate to activate the electrode. The electrochemical properties of the microwave-activated electrodes were determined by electrochemical techniques, and their topography was characterized using scanning electron microscopy (SEM), Raman spectroscopy, and contact-angle measurements. This study confirms that during microwave activation, PLAs decompose to uncover the conductive carbon-black filler. We deliver a proof-of-concept of the utility of kitchen microwave-oven activation of a 3D-printed, free-standing electrochemical cell (FSEC) in paracetamol electroanalysis in aqueous electrolyte solution. We established satisfactory limits of linearity for paracetamol detection using voltammetry, ranging from 1.9 μM to 1 mM, with a detection limit (LOD) of 1.31 μM.
Development of the Low-Pressure Die Casting Process for an Aluminium Alloy Part
Authors: Monteiro Filipe , Soares Gonçalo , Madureira Rui , Silva Rui Pedro , Silva José , Amaral Rui , Neto Rui , Reis Ana , Esteves António
Published: June 2024

The low-pressure die casting (LPDC) process was experimentally and numerically studied to produce AlSi7Mg0.3 components such as steering knuckles. Steering knuckles are important safety components in the context of a vehicle’s suspension system, serving as the mechanical interface that facilitates the articulation of the steering to control the front wheel’s orientation, while simultaneously bearing the vertical load imposed by the vehicle’s weight. This work focuses on the development of a numerical model in ProCAST®, replicating the production of the aforementioned part. The model analyses parameters such as the filling dynamics, solidification process, and presence of shrinkage porosities. For the purpose of evaluating the quality of the castings, six parts were produced and characterised, both mechanically (tensile and hardness tests) and microstructurally (porosity and optical microscopy analysis). When correlating simulation results with the available experimental data, it is possible to conclude that the usage of the LPDC process is a viable alternative to the use of steels and other metals for the production of very high-quality castings while using lighter alloys such as aluminium and magnesium in more demanding applications.
A Novel Double Closed Loop Control of Temperature and Rotational Speed for Integrated Multi-Parameter Hydro-Viscous Speed Control System (HSCS)
Authors: Zhao Kai , Wang Yuan , Wang Shoukun , Gao Feiyue , Feng Xiang , Shen Hu , Zhang Lin , Wang Liang , Yu Bin , Ba Kaixian
Published: June 2024

Hydro-viscous clutch has already become an inevitable choice for special vehicle transmission in the present and future. As a nonlinear system with a large hysteresis loop, its speed control performance is affected by input rotational speed, lubricating oil temperature, lubrication pressure, and other factors. The traditional control method cannot adjust the temperature and rotational speed, which will lead to problems of narrow speed range, poor rotational speed stability, and large dynamic load impact. In order to solve the above problems, this paper studies the control method of an integrated multi-parameter hydro-viscous speed control system (HSCS) in a controlled environment. Through the mechanism analysis of the law of HSCS, the influence law of speed and temperature during the system operation is found. The temperature closed loop based on model predictive control (MPC) is introduced to control the rotational speed, and then the traditional PID control results are compensated according to the speed closed loop. Next, a novel double closed loop control method of temperature and rotational speed for HSCS is formed. Finally, the simulating verification is carried out. Compared with the traditional control method, the design method in this paper can adjust the control parameters according to the temperature of the lubricating oil and the input rotational speed and effectively expand the domain of HSCS and the speed control stability. The effective transmission ratio is extended to 0.2~0.8, and the hydro-viscous torque and speed fluctuation under the engine rotational speed fluctuation are reduced by more than 30%. The novel control method of HSCS designed in this paper can effectively improve the influence of input rotational speed and lubricating oil temperature on the speed control performance of HSCS and can be widely used in nonlinear HSCS such as hydro-viscous clutch.
Halenaquinol Blocks Staphylococcal Protein A Anchoring on Cell Wall Surface by Inhibiting Sortase A in Staphylococcus aureus
Authors: Lee Jaepil , Choi Jae-Hyeong , Lee Jayho , Cho Eunji , Lee Yeon-Ju , Lee Hyi-Seung , Oh Ki-Bong
Published: June 2024

Sortase A (SrtA) is a cysteine transpeptidase that binds to the periplasmic membrane and plays a crucial role in attaching surface proteins, including staphylococcal protein A (SpA), to the peptidoglycan cell wall. Six pentacyclic polyketides (1–6) were isolated from the marine sponge Xestospongia sp., and their structures were elucidated using spectroscopic techniques and by comparing them to previously reported data. Among them, halenaquinol (2) was found to be the most potent SrtA inhibitor, with an IC50 of 13.94 μM (4.66 μg/mL). Semi-quantitative reverse transcription PCR data suggest that halenaquinol does not inhibit the transcription of srtA and spA, while Western blot analysis and immunofluorescence microscopy images suggest that it blocks the cell wall surface anchoring of SpA by inhibiting the activity of SrtA. The onset and magnitude of the inhibition of SpA anchoring on the cell wall surface in S. aureus that has been treated with halenaquinol at a value 8× that of the IC50 of SrtA are comparable to those for an srtA-deletion mutant. These findings contribute to the understanding of the mechanism by which marine-derived pentacyclic polyketides inhibit SrtA, highlighting their potential as anti-infective agents targeting S. aureus virulence.
Purification and Characterization of a Novel Fibrinolytic Enzyme from Marine Bacterium Bacillus sp. S-3685 Isolated from the South China Sea
Authors: Ma Zibin , Elango Jeevithan , Hao Jianhua , Wu Wenhui
Published: June 2024

A novel fibrinolytic enzyme, BSFE1, was isolated from the marine bacterium Bacillus sp. S-3685 (GenBank No.: KJ023685) found in the South China Sea. This enzyme, with a molecular weight of approximately 42 kDa and a specific activity of 736.4 U/mg, exhibited its highest activity at 37 °C in a phosphate buffer at pH 8.0. The fibrinolytic enzyme remained stable over a pH range of 7.5 to 10.0 and retained about 76% of its activity after being incubated at 37 °C for 2 h. The Km and Vmax values of the enzyme at 37 °C were determined to be 2.1 μM and 49.0 μmol min−1 mg−1, respectively. The fibrinolytic activity of BSFE1 was enhanced by Na+, Ba2+, K+, Co2+, Mn2+, Al3+, and Cu2+, while it was inhibited by Fe3+, Ca2+, Mg2+, Zn2+, and Fe2+. These findings indicate that the fibrinolytic enzyme isolated in this study exhibits a strong affinity for fibrin. Moreover, the enzyme we have purified demonstrates thrombolytic enzymatic activity. These characteristics make BSFE1 a promising candidate for thrombolytic therapy. In conclusion, the results obtained from this study suggest that our work holds potential in the development of agents for thrombolytic treatment.
Clinching of Carbon Fiber-Reinforced Composite and Aluminum Alloy
Authors: Han Daxin , Hu Chengliang
Published: June 2024

The extensive use of carbon fiber-reinforced composites and aluminum alloys represents the highest level of automotive body-in-white lightweighting. The effective and secure joining of these heterogeneous materials remains a prominent and actively researched topic within the scientific community. Among various joining techniques, clinching has emerged as a particularly cost-effective solution, experiencing significant advancements. However, the application of clinching is severely limited by the properties of the joining materials. In this work, various clinching processes for the joining of composites and aluminum alloys reported in recent research are described in detail according to three broad categories based on the principle of technological improvement. By scrutinizing current clinching technologies, a forward-looking perspective is presented for the future evolution of clinching technology in terms of composite–aluminum joints, encompassing aspects of tool design, process analysis, and the enhancement of joint quality. This work provides an overview of current research on clinching of CFRP and aluminum and serves as a reference for the further development of clinching processes.
Optimization of the Laser Drilling Processing Parameters for Carbon Steel Based on Multi-Physics Simulation
Authors: Liang Shanqing , Li Fengxian , Liu Yichun , Yi Jianhong , Eckert Jürgen
Published: June 2024

The laser drilling of carbon steel is always suffered from the formation of slag, the presence of cutting burrs, the generation of a significant quantity of spatter, and the incomplete penetration of the substrate. In order to avoid these defects formed during the laser drilling of carbon steel, the COMSOL multi-physics simulation method was used to model and optimize the laser drilling process. Considering the splash evolution of the material during the complex drilling process, the transient evolution of the temperature field, the flow of the molten fluid, the geometrical changes, and the absorption of the laser energy during the laser drilling process were investigated. The simulated borehole dimensions are consistent with the experimental results. The process parameters have a great influence on the fluid flow pattern and material slag splashing. The laser power has a significant effect on the laser processing compared with the process parameters. With the increase in laser power and the decrease in laser heat source radius, the time required for perforation is reduced, the flow of melt is accelerated, the perforation efficiency is increased, and the hole wall is smoother, but the degree of spattering is greater. The optimized process parameters were obtained: laser heat source radius of 0.3 mm, laser power of 3000 W. These findings can help reduce the machining defects in carbon steel with excellent mechanical properties by optimizing the laser drilling processing parameters.
A Study on the Effects of Welding Deformation According to Weld Sequence in Overlay-Welded Structures
Authors: Jang Hong-Lae , Ryu Hyunsu , Kang Sungwook
Published: June 2024

In this study, thermal elasto-plastic finite element analysis was conducted to derive the optimal welding sequence to minimize overlay welding deformation on the water wall panels of an SRF (solid refuse fuel) boiler. The water wall panels of an SRF boiler are exposed to high temperatures and corrosive environments, making overlay welding essential. However, because the length of the water wall panels and tubes exceeds 7 m, significant deformation occurs after overlay welding. Additionally, due to the large size of the water wall panels, full-size thermal elasto-plastic analysis requires huge computational costs. Therefore, in this study, the effects of welding sequence on overlay welding deformation were first investigated for a reduced model to derive the optimal welding sequence. Subsequently, an analysis model for the full-size pipe panels was established to compare and analyze the conventional welding sequence with the optimal welding sequence, thereby verifying the validity of the study. According to the welding sequence derived from the reduced model, welding deformation in the full-size model was significantly reduced compared to the conventional sequence. This reduction in deformation was discussed by analyzing the deformation behavior of the structure at each stage of the overlay welding process.
The Influence of Multi-Pass Friction Stir Processing on the Microstructure Evolution and Mechanical Properties of IS2062 Steel
Authors: Raja Avinash Ravi , Su Hao , Wu Chuansong
Published: June 2024

The motive of present work is to explore the variation in the material characteristics of steel upon multi-pass friction stir processing. Steel plates (IS2062) that were 3 mm thick, were subjected to friction stir processing in a multi-pass manner. The selected transverse speed was 150 mm/min, along with a tool rotation of 800 RPM when using a tungsten carbide tool (shoulder diameter—10 mm). Steel plates were processed using the single-pass, double-pass, and triple-pass travel of the rotating tool to observe the impact of multi-pass processing on the properties of steel plates. Multi-pass friction stir processing resulted in a higher micro-hardness of 175 VHN after the second pass, in comparison to the unprocessed metal, which had a micro-hardness of 130 VHN, owing to the collective effect of the plastic flow of the material due to the rotation of the tool and frictional heat, which also leads to grain refinement. The second pass evidenced an average grain size of 22 microns, whereas the unprocessed material had an average grain size of 57 microns. The results of EBSD and SEM characterization showed reasonably improved material properties of the processed work materials.
Crystal Structure and Properties of Heusler Alloys: A Comprehensive Review
Authors: Wederni Asma , Daza Jason , Ben Mbarek Wael , Saurina Joan , Escoda Lluisa , Suñol Joan-Josep
Published: June 2024

Heusler alloys, which were unintentionally discovered at the start of the 20th century, have become intriguing materials for many extraordinary functional applications in the 21st century, including smart devices, spintronics, magnetic refrigeration and the shape memory effect. With this review article, we would like to provide a comprehensive review on the recent progress in the development of Heusler alloys, especially Ni-Mn based ones, focusing on their structural crystallinity, order-disorder atoms, phase changes and magnetic ordering atoms. The characterization of the different structures of these types of materials is needed, where a detailed exploration of the crystal structure is presented, encompassing the influence of temperature and compositional variations on the exhibited phases. Hence, this class of materials, present at high temperatures, consist of an ordered austenite with a face-centered cubic (FCC) superlattice as an L21 structure, or body-centered cubic (BCC) unit cell as a B2 structure. However, a low-temperature martensite structure can be produced as an L10, 10M or 14M martensite structures. The crystal lattice structure is highly dependent on the specific elements comprising the alloy. Additionally, special emphasis is placed on phase transitions within Heusler alloys, including martensitic transformations ranging above, near or below room temperature and magnetic transitions. Therefore, divers’ crystallographic defects can be presented in such types of materials affecting their structural and magnetic properties. Moreover, an important property of Heusler compounds, which is the ability to regulate the valence electron concentration through element substitution, is discussed. The possible challenges and remaining issues are briefly discussed.
Outcomes of Microbiological Challenges in Poultry Transport: A Mini Review of the Reasons for Effective Bacterial Control
Authors: dos Santos Vinícius Machado , Oliveira Gabriel da Silva , Salgado Cristiane Batista , Pires Paula Gabriela da Silva , Santos Pedro Henrique Gomes de Sá , McManus Concepta
Published: June 2024

This review aims to highlight the main microbiological challenges faced in poultry transport and show the role of effective bacterial control during this process to ensure poultry health and meat safety and to reduce economic losses. Poultry infections are among the most frequent infections in production systems, manifesting themselves in hatcheries, farms, slaughterhouses, and during transport between these integration centers. Although the clinical symptoms of these infections can range from mild to severe, many of them can lead to irreversible conditions, resulting in death and compromising productive results. Bacteria are the main causative agents of these infections, although fungi, viruses, and protozoa may also be involved. During the transport of poultry from farms to slaughterhouses, poultry are very vulnerable to infectious conditions. Therefore, implementing effective antibacterial management, focused on professionals, transport crates, and transport vehicles, is essential to guarantee the survival and quality of poultry until the moment of slaughter.
Earthworm (Eisenia andrei)-Mediated Degradation of Commercial Compostable Bags and Potential Toxic Effects
Authors: Mendes Luís André , Beiras Ricardo , Domínguez Jorge
Published: June 2024

The availability of compostable plastic bags has increased greatly in the past few years, as it is perceived that this type of bags will be degraded after disposal. However, there are some knowledge gaps regarding the potential effects on the soil ecosystems. We assessed the rate of degradation of samples of four different types of commercial compostable bags in vermicomposting systems with the earthworm species Eisenia andrei. We also evaluated the biological response of E. andrei (survival and reproduction) to microplastics (MPs) from fragments of the plastic bags (<2000 µm) and assessed seedling emergence in common garden cress (Lepidium sativum L.) exposed to micronized plastic (<250 µm) and the respective leachate, following OECD and ISO guidelines, respectively. The rate of degradation differed significantly depending on the type of plastic rather than the substrate in the vermicomposting system. This finding suggests that the degradation process is more dependent on the microbial community colonizing the different plastic types than on earthworm activity. Regarding the biological response of the soil system, L. sativum seedling emergence was not significantly affected; however, earthworm reproduction was affected, suggesting that although compostable, some of the formulations may potentially be toxic to soil fauna.
Laboratory Experiments and Geochemical Modeling of Gas–Water–Rock Interactions for a CO2 Storage Pilot Project in a Carbonate Reservoir in the Czech Republic
Authors: Licbinska Monika , Labus Krzysztof , Klempa Martin , Matysek Dalibor , Vasek Milan
Published: June 2024

The aim of this study was to characterize the influence of CO2 in geological structures on mineralogical changes in rocks and assess the sequestration capacity in mineral form and solution of a potential pilot storage site in the Czech Republic. Rock samples from a dolomite reservoir and the overburden level, as well as the corresponding pore water, were used. The most important chemical process occurring in the reservoir rock is the dissolution of carbonate minerals and feldspars during the injection of CO2 into the structure, which increases the porosity of the structure by approximately 0.25 percentage points and affects the sequestration capacity of the reservoir rock. According to the results of geochemical modeling, the secondary carbonate minerals (dolomite, siderite, and ephemeral dawsonite) were present only during the first 50 years of storage, and the porosity at this stage decreased by 1.20 pp. In the caprocks, the decomposition of K-feldspar and calcite resulted in an increase in porosity by 0.15 percentage points at the injection stage only, while no changes in porosity were noted during storage. This suggests that their insulation efficiency can be maintained during the injection and post-injection periods. However, further experimental research is needed to support this observation. The results of this study indicate that the analyzed formation has a low potential for CO2 sequestration in mineral form and solution over 10,000 years of storage, amounting to 5.50 kg CO2/m3 for reservoir rocks (4.37 kg CO2/m3 in mineral form and 1.13 kg CO2/m3 in dissolved form) and 3.22 kg CO2/m3 for caprock rocks (3.01 kg CO2/m3 in mineral form and 0.21 kg CO2/m3 in dissolved form). These values are lower than in the case of the depleted Brodské oil field, which is a porous reservoir located in the Moravian part of the Vienna Basin.
Development of an RP-HPLC Method for Quantifying Diclofenac Diethylamine, Methyl Salicylate, and Capsaicin in Pharmaceutical Formulation and Skin Samples
Authors: AlNahwa Lubna H. M. , Ali Hazim M. , Hasanin Tamer H. A. , Shalaby Khaled , Alshammari Mutairah S. , Alsirhani Alaa M. , Mohamed Sabrein H.
Published: June 2024

An RP-HPLC method with a UV detector was developed for the simultaneous quantification of diclofenac diethylamine, methyl salicylate, and capsaicin in a pharmaceutical formulation and rabbit skin samples. The separation was achieved using a Thermo Scientific ACCLAIMTM 120 C18 column (Waltham, MA, USA, 4.6 mm × 150 mm, 5 µm). The optimized elution phase consisted of deionized water adjusted to pH = 3 using phosphoric acid mixed with acetonitrile in a 35:65% (v/v) ratio with isocratic elution. The flow rate was set at 0.7 mL/min, and the detection was performed at 205 nm and 25 °C. The method exhibits good linearity for capsaicin (0.05–70.0 µg/mL), methyl salicylate (0.05–100.0 µg/mL), and diclofenac diethylamine (0.05–100.0 µg/mL), with low LOD values (0.0249, 0.0271, and 0.0038 for capsaicin, methyl salicylate, and diclofenac diethylamine, respectively). The RSD% values were below 3.0%, indicating good precision. The overall greenness score of the method was 0.61, reflecting its environmentally friendly nature. The developed RP-HPLC method was successfully applied to analyze Omni Hot Gel® pharmaceutical formulation and rabbit skin permeation samples.
Encapsulated Mn-Saturated Lactoferrin as a Safe Source of Manganese Ions for Restoring Probiotic Lactobacillus plantarum
Authors: Gajda-Morszewski Przemysław , Poznańska Anna , Federyga Eryk , Ściuk Anna , Brindell Małgorzata
Published: June 2024

The growth of Lactobacillus plantarum, a member of the Lactobacillus genus, which plays a crucial role in the bacterial microbiome of the gut, is significantly influenced by manganese ions. They can be safely delivered to the intestines by exploiting the chelating abilities of lactoferrin. The aim of this work was to encapsulate lactoferrin saturated with manganese ions (MnLf) in a system based on the Eudragit® RS polymer to protect protein from degradation and manganese release in the gastric environment. The entrapment efficiency was satisfactory, reaching about 95%, and most importantly, manganese ions were not released during microparticles (MPs) formation. The release profile of the protein from the freshly prepared MPs was sustained, with less than 15% of the protein released within the first hour. To achieve similar protein release efficiency, freeze-drying was carried out in the presence of 10% (w/v) mannitol as a cryoprotectant for MPs frozen at −20 °C. MPs with encapsulated MnLf exhibited prebiotic activity towards Lactobacillus plantarum. More importantly, the presence of equivalent levels of manganese ions in free form in the medium, as well as chelating by lactoferrin encapsulated in MPs, had a similar impact on stimulating bacterial growth. This indicates that the bioavailability of manganese ions in our prepared system is very good.
Additively Manufactured Carbon-Reinforced ABS Honeycomb Composite Structures and Property Prediction by Machine Learning
Authors: Ranaiefar Meelad , Singh Mrityunjay , Halbig Michael C.
Published: June 2024

The expansive utility of polymeric 3D-printing technologies and demand for high- performance lightweight structures has prompted the emergence of various carbon-reinforced polymer composite filaments. However, detailed characterization of the processing–microstructure–property relationships of these materials is still required to realize their full potential. In this study, acrylonitrile butadiene styrene (ABS) and two carbon-reinforced ABS variants, with either carbon nanotubes (CNT) or 5 wt.% chopped carbon fiber (CF), were designed in a bio-inspired honeycomb geometry. These structures were manufactured by fused filament fabrication (FFF) and investigated across a range of layer thicknesses and hexagonal (hex) sizes. Microscopy of material cross-sections was conducted to evaluate the relationship between print parameters and porosity. Analyses determined a trend of reduced porosity with lower print-layer heights and hex sizes compared to larger print-layer heights and hex sizes. Mechanical properties were evaluated through compression testing, with ABS specimens achieving higher compressive yield strength, while CNT-ABS achieved higher ultimate compressive strength due to the reduction in porosity and subsequent strengthening. A trend of decreasing strength with increasing hex size across all materials was supported by the negative correlation between porosity and increasing print-layer height and hex size. We elucidated the potential of honeycomb ABS, CNT-ABS, and ABS-5wt.% CF polymer composites for novel 3D-printed structures. These studies were supported by the development of a predictive classification and regression supervised machine learning model with 0.92 accuracy and a 0.96 coefficient of determination to help inform and guide design for targeted performance.
Interlayer Interactions and Macroscopic Property Calculations of Squaric-Acid-Linked Zwitterionic Covalent Organic Frameworks: Structures, Photocatalytic Carrier Transport, and a DFT Study
Authors: Yan Gaojie , Zhang Xiaojie
Published: June 2024

Squaric-acid-linked zwitterionic covalent organic frameworks (Z-COFs), assembled through interlayer interactions, are emerging as potential materials in the field of photocatalysis. However, the study of their interlayer interactions has been largely overlooked. To address this, this work systematically calculated interlayer interactions via density functional theory (DFT) and analyzed the differences in interlayer interactions of different structures of Z-COFs through interlayer slippage, planarity, and an independent gradient model based on the Hirshfeld partition (IGMH). Furthermore, it revealed the relationship between the interactions and the macroscopic photocatalytic carrier transport performance of the material. The results indicated that both preventing interlayer slippage and enhancing planarity can enhance the interlayer interactions of Z-COFs, thereby improving their macroscopic carrier transport performance in photocatalysis.
Cobalt(III)–Macrocyclic Scaffolds with Anti-Cancer Stem Cell Activity
Authors: Fang Jiaxin , Gerschel Philipp , Singh Kuldip , Apfel Ulf-Peter , Suntharalingam Kogularamanan
Published: June 2024

Cobalt(III) compounds with tetradentate ligands have been widely employed to deliver cytotoxic and imaging agents into cells. A large body of work has focused on using cobalt(III)–cyclam scaffolds for this purpose. Here, we investigate the cytotoxic properties of cobalt(III) complexes containing 14-membered macrocycles related to cyclam. A breast cancer stem cell (CSC) in vitro model was used to gauge efficacy. Specifically, [Co(1,4,7,11-tetraazacyclotetradecane)Cl2]+ (1) and [Co(1-oxa-4,8,12-triazacyclotetradecane)Cl2]+ (2) were synthesised and characterised, and their breast CSC activity was determined. The cobalt(III) complexes 1 and 2 displayed micromolar potency towards bulk breast cancer cells and breast CSCs grown in monolayers. Notably, 1 and 2 displayed selective potency towards breast CSCs over bulk breast cancer cells (up to 4.5-fold), which was similar to salinomycin (an established breast CSC-selective agent). The cobalt(III) complexes 1 and 2 were also able to inhibit mammosphere formation at low micromolar doses (with respect to size and number). The mammopshere inhibitory effect of 2 was similar to that of salinomycin. Our studies show that cobalt(III) complexes with 1,4,7,11-tetraazacyclotetradecane and 1-oxa-4,8,12-triazacyclotetradecane macrocycles could be useful starting points for the development of new cobalt-based delivery systems that can transport cytotoxic and imaging agents into breast CSCs.
An Overview of the Synthesis of 3,4-Fused Pyrrolocoumarins of Biological Interest
Authors: Kapidou Eleni , Litinas Konstantinos E.
Published: June 2024

3,4-Fused pyrrolocoumarins, synthetically prepared or naturally occurring, possess interesting biological properties. In this review, the synthetic strategies for the synthesis of the title compounds are presented along with their biological activities. Two routes are followed for that synthesis. In one, the pyrrole ring is formed from coumarin derivatives, such as aminocoumarins or other coumarins. In the other approach, the pyranone moiety is built from an existing pyrrole derivative or through the simultaneous formation of coumarin and pyrrole frameworks. The above syntheses are achieved via 1,3-dipolar cycloaddition reactions, Michael reaction, aza-Claisen rearrangement reactions, multi-component reactions (MCR), as well as metal-catalyzed reactions. Pyrrolocoumarins present cytotoxic, antifungal, antibacterial, α-glucosidase inhibition, antioxidant, lipoxygenase (LOX) inhibition, and fluorescent activities, as well as benzodiazepine receptor ability.
Enhanced CH4/N2 Separation Efficiency of UiO-66-Br2 through Hybridization with Mesoporous Silica
Authors: Wang Hu , Zong Ziao , Zhou Yadong , Yin Chaochuang , Lei Yizhu , Wang Renshu , Deng Yuheng , Wu Tingting
Published: June 2024

Efficient separation of CH4 from N2 is essential for the purification of methane from nitrogen. In order to address this problem, composite materials consisting of rod-shaped SBA-15-based UiO-66-Br2 were synthesized for the purpose of separating a CH4/N2 mixture. The materials were characterized via PXRD, N2 adsorption–desorption, SEM, TEM, FT-IR, and TGA. The adsorption isotherms of CH4 and N2 under standard pressure conditions for the composites were determined and subsequently compared. The study revealed that the composites were formed through the growth of MOF nanocrystals on the surfaces of the SBA-15 matrix. The enhancements in surface area and adsorption capacity of hybrid materials were attributed to the structural modifications resulting from the interactions between surface silanol groups and metal centers. The selectivity of the composites towards a gas mixture of CH4 and N2 was assessed utilizing the Langmuir adsorption equation. The results of the analysis revealed that the U6B2S5/SBA-15 sample exhibited the greatest selectivity for CH4/N2 adsorption compared to the other samples, with an adsorption selectivity parameter (S) of 20.06. Additional research is necessary to enhance the enrichment of methane from CH4/N2 mixtures using SBA-15-based metal-organic framework materials.
Influence of Novel Microcapsulates of Bee Products on Gut Microbiota Modulation and Their Prebiotic and Pro-Adhesive Properties
Authors: Kowalska Gabriela , Rosicka-Kaczmarek Justyna , Miśkiewicz Karolina , Nowak Adriana , Motyl Ilona , Oracz Joanna , Brzozowska Anna , Grzegorczyk Aleksandra , Świniarska Zuzanna
Published: June 2024

With the aim to obtain controlled-release systems and to preserve the antioxidant, immunomodulatory, and prebiotic activity of the bioactive compounds, microencapsulation of both honeydew honey and royal jelly into biopolymeric microparticles based on rye bran heteropolysaccharides (HPS) was successfully performed. Honeydew honey and royal jelly microcapsules were prepared by spray-drying method and were characterized in terms of morphology and biological properties. Due to the resistance of the obtained encapsulates to the acidic pH in the stomach and digestive enzymes, the microcapsules showed prebiotic properties positively influencing both the growth, retardation of the dying phase, and the pro-adhesive properties of probiotic bacteria, i.e., Bifidobacterium spp. and lactic acid bacteria. Moreover, as a result of fermentation of the microcapsules of bee products in the lumen of the large intestine, an increased synthesis of short-chain fatty acids, i.e., butyric acid, was found on average by 39.2% in relation to the SCFA concentrations obtained as a result of fermentation of native bee products, thus opening new perspectives for the exploitation of honeydew honey and royal jelly loaded microcapsules for nutraceutical applications.
The Influence of Clustered DNA Damage Containing Iz/Oz and OXOdG on the Charge Transfer through the Double Helix: A Theoretical Study
Authors: Karwowski Bolesław T.
Published: June 2024

The genome—the source of life and platform of evolution—is continuously exposed to harmful factors, both extra- and intra-cellular. Their activity causes different types of DNA damage, with approximately 80 different types of lesions having been identified so far. In this paper, the influence of a clustered DNA damage site containing imidazolone (Iz) or oxazolone (Oz) and 7,8-dihydro-8-oxo-2′-deoxyguanosine (OXOdG) on the charge transfer through the double helix as well as their electronic properties were investigated. To this end, the structures of oligo-Iz, d[A1Iz2A3OXOG4A5]*d[T5C4T3C2T1], and oligo-Oz, d[A1Oz2A3OXOG4A5]*d[T5C4T3C2T1], were optimized at the M06-2X/6-D95**//M06-2X/sto-3G level of theory in the aqueous phase using the ONIOM methodology; all the discussed energies were obtained at the M06-2X/6-31++G** level of theory. The non-equilibrated and equilibrated solvent–solute interactions were taken into consideration. The following results were found: (A) In all the discussed cases, OXOdG showed a higher predisposition to radical cation formation, and B) the excess electron migration toward Iz and Oz was preferred. However, in the case of oligo-Oz, the electron transfer from Oz2 to complementary C4 was noted during vertical to adiabatic anion relaxation, while for oligo-Iz, it was settled exclusively on the Iz2 moiety. The above was reflected in the charge transfer rate constant, vertical/adiabatic ionization potential, and electron affinity energy values, as well as the charge and spin distribution. It can be postulated that imidazolone moiety formation within the CDL ds-oligo structure and its conversion to oxazolone can significantly influence the charge migration process, depending on the C2 carbon hybridization sp2 or sp3. The above can confuse the single DNA damage recognition and removal processes, cause an increase in mutagenesis, and harm the effectiveness of anticancer therapy.