bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lactate‐Dependent HIF1A Transcriptional Activation Exacerbates Severe Acute Pancreatitis Through the ACSL4/LPCAT3/ALOX15 Pathway Induced Ferroptosis
Authors: Zhang Tingyuan , Huang Xiaopei , Feng Shengnan , Shao Huanzhang 
Published: December 2024

ABSTRACTAcute pancreatitis (AP) is a common emergency in the digestive system, and in severe cases, it can progress to severe acute pancreatitis (SAP), with a mortality rate of up to 30%, representing a dire situation. SAP in mice was induced by l‐arginine (l‐Arg). HE, IHC, WB and ELISA were used to study the role and regulation of HIF1A in SAP. At the same time, QPCR, WB, CHIP‐QPCR and luciferase report were used to explore the specific mechanism of HIF1A regulation of SAP in vitro. The research results indicate that following SAP induction, the pancreatic tissue of mice exhibited significant glycolytic abnormalities, accompanied by a marked upregulation of HIF1A expression. This led to apparent damage in the pancreatic tissue, lungs, and kidneys. However, in sh‐HIF1A mice, the degree of these injuries was significantly alleviated, along with a reduction in the production of inflammatory factors, oxidative products, and lipid peroxidation markers. This suggests that HIF1A plays a crucial role in the inflammatory and oxidative stress processes during SAP. Further exploration revealed that the absence or overexpression of HIF1A affects SAP by inducing ferroptosis through the ACSL4/LPCAT3/ALOX15 pathway. Notably, the elevated lactate level resulting from glycolytic abnormalities further enhances the histone lactylation in the HIF1A promoter region, thereby aggravating the expression of HIF1A. Lactate‐dependent HIF1A transcriptional activation exacerbates severe acute pancreatitis through the ACSL4/LPCAT3/ALOX15 pathway induced ferroptosis.
Groupy: An Open‐Source Toolkit for Molecular Simulation and Property Calculation
Authors: Liu Ruichen , Wang Li , Zhang Xiangwen , Li Guozhu 
Published: December 2024

ABSTRACTIn this work, an open‐source, versatile, and flexible code named Groupy is present for calculating various molecular properties and preparing input files of molecular simulation software such as Gaussian. This code requires only SMILES as input, but can output many new useful data and files in multiple formats. The output information is clear and easy to read. The tips to the users are very detailed and easy to follow when using. Message passing interface (MPI) parallelization is supported to reduce computing time when the properties of a large number of molecules are calculated. Groupy not only supports the calculation of molecular properties using the traditional group contribution method, but also directly outputs the group‐contribution‐style molecular fingerprints for machine learning. The code has strong extensibility, which can be used as an external library to build other programs. We hope that Groupy brings great convenience to both computational and experimental chemists in their daily research. The code of Groupy can be freely obtained at https://github.com/47‐5/Groupy
CoTCNQ as a Catalyst for CO2 Electroreduction: A First Principles r2SCAN Meta‐GGA Investigation
Authors: Conquest Oliver J. , Jiang Yijiao , Stampfl Catherine 
Published: December 2024

ABSTRACTUsing first principles calculations we investigate cobalt‐coordinated tetracyanoquinodimethane (R‐CoTCNQ) as a potential catalyst for the CO2 electroreduction reaction (CO2ERR). We determine that exchange–correlation functionals beyond the generalized gradient approximation (GGA) are required to accurately describe the spin properties of R‐CoTCNQ, therefore, the meta‐GGA r2SCAN functional is used in this study. The free energy CO2ERR reaction pathways are calculated for the reduced catalyst ([R‐CoTCNQ]−1e) with reaction products HCOOH and HCHO predicted depending on our choice of electrode potential. Calculations are also performed for [R‐CoTCNQ]−1e supported on a H‐terminated diamond (1 1 0) surface with reaction pathways being qualitatively similar to the [R‐CoTCNQ]−1e monolayer. The inclusion of boron‐doping in the diamond support shows a slightly improved CO2ERR reaction pathway. Furthermore, structurally, supported R‐CoTCNQ provide a high specific area of active Co active sites and could be promising catalysts for future experimental consideration.
Production of hydroxyectoine from biogas by an engineered strain of Methylomicrobium alcaliphilum using a novel Taylor‐flow bioreactor
Authors: Herrero‐Lobo Raquel , Fernández‐González Nuria , Marcos Eva , Martínez María Alejandra , García‐Encina Pedro , Rodero María del Rosario , Muñoz Raúl , Bordel Sergio 
Published: December 2024

AbstractBACKGROUNDThe production of compatible solutes, such as ectoine and hydroxyectoine, is of great interest due to their industrial and biotechnological applications. Methylomicrobium alcaliphilum was genetically engineered to replace a native gene with a heterologous one, aiming to enhance ectoine production. This study focuses on the optimization of bioreactor conditions to maximize the microbial production of these metabolites from methane.RESULTSThe engineered strain (M. alcaliphilum PstEctD) was cultured in a Taylor flow bioreactor under varying gas recirculation flow rates. Increased flow rates enhanced methane consumption, biomass concentration, and ectoine production. The highest production of ectoine (32 mg/g‐VSS) and hydroxyectoine (272 mg/g‐VSS) was observed at a flow rate of 0.7 L min−1, while methane removal efficiency improved from 30% to over 60% as flow rates increased.CONCLUSIONSOptimizing bioreactor conditions, particularly gas recirculation flow rates, significantly improved both the efficiency of methane consumption and the production of ectoine derivatives. This work provides a scalable approach for the sustainable production of compatible solutes from methane, offering potential applications in biotechnological processes utilizing renewable carbon sources. © 2024 The Author(s). Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
Effect of Reduced Graphene Oxide Nanoparticles Added in Epoxy for Anticorrosion Coatings
Authors: Santos Ana L. , de Paula Ygor M. , Freire Maria P. , Costa Maria 
Published: December 2024

AbstractCorrosion is a natural phenomenon that affects many sectors that use metallic materials in their industrial plants, including the oil industry. In this sector, corrosion phenomena occur frequently in metal pipes, generating economic losses, environmental damage, and safety risks in general. The aim of this study is to evaluate the addition of laboratory‐synthesized reduced graphene oxide (rGO) to an epoxy resin on the corrosion resistance of coatings for use in the oil sector. X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and scanning electron microscopy (SEM) analyses are carried out on the synthesized nanoparticles and on the nanocomposite coatings, which are prepared with 0.1–0.5 wt% of rGO. SEM analysis shows that there is a decrease in the number of defects on the surface of the samples as the concentration of rGO increases up to 0.3 wt%. The corrosion resistance of the coatings is evaluated by electrochemical impedance spectroscopy (EIS), which shows that the addition of rGO to the epoxy matrix improves corrosion protection compared to the pure coating, as it increases the diffusive path of the corrosive agents. The nanocomposite coating with 0.3 wt% rGO shows better anti‐corrosion performance. This material can be applied both as an external and internal anti‐corrosion coating in any industrial sector, as well as in the oil and gas industry.
Evaluation of Phenolic Foam's Toxicity Used in Floral Arrangements
Authors: de Sousa Bianca S. , de Brito Laís M. , Ramsdorf Wanessa A. , de Freitas Adriane M. , Kloss Juliana R. 
Published: December 2024

AbstractThe study investigates the characterization and toxicity of two types of phenolic foams: Floral (FF) and Hydroponic (HF), used in floral arrangements and hydroponic structures. These foams contain a resin with a free phenol content ranging between 5.0% and 8.0%, a substance harmful to plant development and ecosystem contamination. Methods such as Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy‐energy dispersive spectroscopy (SEM‐EDS), and gas chromatography‐tandem mass spectrometry (GC‐MS/MS) are used for characterization. Acute exposure ecotoxicological tests are conducted with Daphnia magna for the FF sample and lettuce seeds (Lactuca sativa) for both FF and HF samples. Results reveal structural similarities between the foams and phenolic resin, including the presence of residual free phenol at concentrations of 180 ppm in FF and 73 ppm in HF, and possibly different additive treatments between samples. The FF sample had a half maximal effective concentration (EC50, 48 h) = 15.4 ± 2.7 g L−1 for D. magna. Surprisingly, the HF sample proves more toxic to L. sativa than FF, suggesting a potential influence of additives released from the sample's composition beyond the free phenol. This study shows that improper phenolic foam disposal can harm both aquatic and land ecosystems.
Study of Thermo‐Oxidative Aging of Fluorinated Gaskets (FKM) Used in Plate Heat Exchangers
Authors: Ribeiro Rafael S. , de Souza Elias L. , Zanzi Mateus S. , Dutra Gabriel B. 
Published: December 2024

AbstractGaskets are sealing elements used in plate heat exchangers, which are subjected to aggressive conditions during service. In particular, the compression state, together alongside temperatures, can cause a premature deterioration of properties. To monitor and prevent such a situation, this study uses the TTS (time‐temperature superposition) method and Arrhenius to predict the lifetime of FKM gaskets. For this purpose, thermo‐oxidative aging is conducted at different temperatures for up to 6 months, monitoring compression set (CS) and Shore A hardness. The results indicate that the gasket can withstand periods of up to almost 300 days in service for an operating temperature of 140 °C.
Electrospun Mats of Thermoplastic Polyurethane and Carbon Nanotubes with Piezoresistive Behavior
Authors: de Sousa Bruna Caldas , Barra Guilherme Mariz de Oliveira , Martins Johnny de Nardi , Merlini Claudia , Hemkemaier Matheus Campos 
Published: December 2024

AbstractElectromechanical sensors obtained by electrospun mats have a high surface area and porosity, allowing superior flexibility and sensitivity of response to the sensor. Based on this context, in this work, electrospun mats based on thermoplastic polyurethane (TPU) and multi‐wall carbon nanotubes (MWCNTs) are produced by electrospinning. The electrical resistivity under different compressive stress levels is evaluated in recurring loading and unloading cycles. Incorporating MWCNT increases the elastic modulus and thermal stability but does not significantly increase the electrical conductivity. However, the electrospun mats with different concentrations of MWCNT show variation in electrical resistivity under compressive stress. The response is stable with a compressive stress of 0.25 MPa and five cycles of compression and decompression, with a variation in the relative resistivity of approximately −0.8 for all MWCNT concentrations. A similar response is observed with the increasing of the compressive stress to 0.5 MPa.
Electrospun Membrane for Media Filters: A Review
Authors: da Silva Raul Pirolli , Muniz Edvani Curti , Medeiros Gabriela Brunosi , Aguiar Monica Lopes , Corradini Elisangela 
Published: December 2024

AbstractThe air is a fundamental element for the life on Earth. Rapid urbanization and industrialization release large amounts of pollutants (harmful gases, microorganisms, and particulate matter, among others) into the atmosphere, leading to health hazards. Air filtration is still the most used and promising technique for protecting air against pollutants. The quality and efficiency of filtering process are dependent of the material used for the filter and other filter's properties. Several methods can be used for manufacturing filters, one of them uses fibrous membranes obtained mainly through electrospinning from polymeric solutions. Electrospinning is a technique that combines the application of an electrostatic field to a polymer solution that induces the fluid to move and, due to the solvent evaporation, results in the fibers formation. Electrospun membranes are constituted by fibers that the sizes spread on submicro and or nanometric scales. This review focuses on fiber membranes obtained by electrospinning for filtration of particulate matter. It is addressed the effect of solution, processing, and ambient parameters on the morphology and dimensional characteristics of fiber membranes. The basic principles of air filtration, test, and characterization of filter performance are also presented. The research progress on electrospun nanofibers as air filters in recent years is summarized and discussed. Finally, conclusion and future perspectives in electrospun fibers for air filtration are provided and discussed.
How Are the Properties of Starch‐Based Composites Influenced by the Chemical Treatment of BSG?
Authors: Ramos Georgia W. , Klosowski Ana B. , Lopes Aline C. , Carvalho Giovani A. , Olivato Juliana B. 
Published: December 2024

AbstractLignocellulosic fibers from Brewer's spent grain (BSG) represent an ecologically and economically favorable alternative that can act as reinforcing agents for starch‐based polymer composites. Biodegradable composites are produced using cassava starch and BSG of the Pilsen (P) and Weiss (W) types, which are subjected to mercerization (BSM), bleaching (BSP) and a combination of those treatments (BSB). By including treated BSGs, homogeneous matrices with starch are produced, without the presence of pores and/or cracks, as evidenced by the scanning electron microscopy (SEM) images. The tensile strength of the composites is improved by up to 80% and Young's modulus by up to 50% with the addition of BSB(P) and BSB(W) fibers, indicating the role of the materials as reinforcement agents. Bleaching and mercerization treatments are efficient in the exposition of hydroxyl groups of cellulose, resulting in higher hydrophilicity and water vapor permeability (WVP) of the composites containing the BSP and BSM fibers. Biodegradable composites incorporating BSG from the brewing industry have promising properties and can be a viable alternative to non‐biodegradable polymeric packaging.
Bacterial Cellulose Films for Biodegradable Packaging with Essential Oils
Authors: Teixeira Stefani Regina Zibetti , Garcia Michele Cristina Formolo , Silva Denise Abati Kasper , Kurek Ana Paula , Schneider AndréaLima dosSantos , Pezzin Ana Paula Testa 
Published: December 2024

AbstractPetrochemical polymers provide most packaging materials in the food industry and cause environmental problems due to their non‐biodegradability. Developing biodegradable polymers with additives is a strategy, and bacterial cellulose (BC) presents favorable properties for this application. This work aims to evaluate the effect of essential oils (EOs) of clove, cinnamon, basil, and oregano as additives in BC matrix for application in food packaging. BC membranes are synthesized by the bacteria Komagataeibacter hansenii and incorporated into EOs using ethanol as a solvent. The membranes are characterized by fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), antibacterial activity, and soil biodegradation. Furthermore, the samples are also tested for their antifungal potential on the surface of bread slices. FTIR analyses confirm the incorporation of EOs into BC membranes. TGA analysis indicates a slight increase in thermal stability for the incorporated samples. All samples show antibacterial potential, except BC, incorporated with the essential basil oil. The fungal analysis is performed by visually evaluating the appearance of filamentous fungi on the surface of the bread pieces. Soil biodegradation tests demonstrate mass loss for all membranes.
Bacterial Cellulose Membranes Incorporated with Lipase for Oil Degradation
Authors: Silveira Victória Fonseca , da Silva Victória Mendes , Junior Sandro Rogério Kumineck , Garcia Michele Cristina Formolo , Pezzin Ana Paula Testa , de Oliveira Therezinha Maria Novais , Schneider Andrea Lima dos Santos 
Published: December 2024

AbstractThe immobilization of enzymes increases their stability and allows their reuse, and bacterial cellulose (BC) is a material that can be used in this technique. This work aims to produce an enzymatic product to degrade oils and fats using BC as a matrix. Komagataeibacter hansenii bacteria produce BC membranes, and lipase is immobilized on the membranes by ex situ method. Then, the surface of the membranes is modified with zein, a hydrophobic corn protein. The membranes are characterized by TGA, FTIR, scanning electron microscopy (SEM) analysis and oil degradation test. TGA demonstrates higher stability for the membranes with lipase and zein. The FTIR spectrum of pure BC membrane and zein‐modified membrane are very similar because of the high zein coating. SEM analysis shows that zein‐modified membranes with lipase present smaller amounts of pores. Finally, using soy oil, lipase degrades oil even after immobilization during the degradation test.
Pectin Edible Film Obtained from Orange Peel: Characterization and Application to Improve the Quality of Minimally Processed Apples
Authors: Cotrim Monique A. P. , de Ferraz Marina R. F. , Ayres Eliane 
Published: December 2024

AbstractBrazil is the leading orange juice producer worldwide. Only about 50% of an orange is juice, so an enormous amount of waste is generated annually. In this context, studies involving alternatives for repurposing the remaining 50%, so it is not wasted or sent to landfill, are an issue of responsibility. In the present work, pectin is extracted to obtain a film‐forming solution (FFS). The extracted pectin is classified as high ester pectin since its degree of esterification (%DE) is higher than 50%. The FFS gives rise to transparent films with a low yellowing index. The addition of CaCl2 produces a crosslinked film with a 35% and 50% percentage increase in the contact angle and tensile strength, respectively. A FFS is proposed to be used without and with CaCl2 as edible packaging material. Herein, it is applied as an edible coating (EC), directly onto the peeled apple slices, or as an edible wrapping film. Both strategies aim to delay the browning of apples, evaluated by the browning index (BI). This result is important for the marketing of fresh‐cut fruits since the acceptance by consumers is strongly influenced by visual aspects.
Rice Husk Filled PLA/PBAT Composites for Food Containers: Processability, Rheological and Thermal Properties
Authors: Agostini Nicole Bohm , Kieffer Vanessa Zimmer , Santana Ruth Marlene Campomanes 
Published: December 2024

AbstractThis study explores the potential of using a composite material made of polylactic acid (PLA), polybutylene adipate‐co‐terephthalate (PBAT), and rice husk (RH) as an alternative for food containers. Two blends with 10 wt%–20 wt% of PBAT and four composites with 10 wt%–20 wt% of RH reinforcement are evaluated. The composite is created using an internal mixer and is analyzed using torque vs time mixing curves, melt flow index (MFI), thermogravimetric analysis, and differential scanning calorimetry (DSC). The blends exhibit higher crystallinity and superior mechanical properties compared to composites. Adding RH improves sustainability and decreases costs by utilizing agricultural waste but reduces flexural strength. However, the addition of PBAT increases flexibility, making it suitable for pliable material applications. The composite CO4 with 20 wt% of PBAT and RH demonstrates balanced performance in terms of lower MFI, thermal stability, and flexural strength, making it suitable for food tray applications. Further studies are needed to optimize the mechanical and barrier properties of these composites for specific applications.
Sustainable Alternatives for Packaging: Exploring the Hygroscopicity of Biodegradable Materials Based on PLA, PBAT, and Rice Husk
Authors: Kieffer Vanessa Zimmer , Agostini Nicole Bohm , Santana Ruth Marlene Campomanes 
Published: December 2024

AbstractThis study explores the potential of sustainable materials by combining biodegradable polymers with agro‐industrial waste. It aims to offer alternatives to mitigate the adverse environmental impacts of single‐use food packaging. The aim is to evaluate the potential of a composite material made from a polylactic acid (PLA)/polybutylene adipate‐co‐terephthalate (PBAT) blend, reinforced with rice husk (RH), as a viable alternative for food packaging. Two blends containing 10–20 wt% of PBAT (BL1 and BL2) and four composites with 10–20 wt% of RH reinforcement (CO1, CO2, CO3, and CO4) are tested to determine the most suitable formulation in terms of barrier properties. The samples are characterized using Fourier‐Transform Infrared Spectroscopy (FTIR), contact angle measurements, Scanning Electron Microscopy (SEM), water absorption, and moisture absorption test. FTIR and SEM analyses reveal partial immiscibility between PLA and PBAT in blends BL1 and BL2. In the SEM analyses, composites CO1 and CO3 (10 wt% RH) exhibit better RH dispersion, resulting in lower water absorption and higher moisture barrier properties. However, the hydrophilic nature of RH indicates the need to improve the interaction at the fiber–matrix interface to optimize performance. Additional studies are ongoing to evaluate additional properties and feasibility for large‐scale production, aiming at sustainable industrial applications.
Grinding of CF‐Reinforced Thermoplastic and Thermoset Composites: Is There Contamination in the Process?
Authors: Montagna Larissa Stieven , dos Santos Maikon Stefano , da Silva Thais Ferreira , Montanheiro Thaís Larissa do Amaral , Marini Juliano , Rezende Mirabel Cerqueira , Passador Fabio Roberto 
Published: December 2024

AbstractThe growing demand for carbon fiber‐reinforced thermoplastic and thermoset (CFRT) composites, mainly in the aerospace, automotive, and energy industries, is due to obtaining lighter components. However, the amount of waste generated during the CFRT production process and at the end of its useful life has been increasing sharply, urgently requiring viable solutions that create less environmental impact in its final disposal. The mechanical recycling process has been presented as an economically and environmentally viable alternative to minimize the environmental impacts generated by the accumulation of this waste in the environment. Therefore, in this study, possible contaminations arising from the grinding process of waste composites reinforced with carbon fiber (CF) based on thermoplastics, polyamide 6 (CF/PA6), low melting poly (aryl ether ketone) (CF/PAEK), poly (phenylene sulfide) (CF/PPS), and fast‐curing epoxy thermoset, are investigated. The composites are ground in a knife mill, resulting in materials measuring (2.6 ± 1) mm. Through differential scanning calorimetry (DSC) analysis, it is observed that the thermal profile of the ground composites is not changed; only the CF/PA6 composite shows an increase of 10% in the value of the degree of crystallinity. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) equipped with an energy‐dispersive X‐ray spectrometer show no metallic contamination from the grinding process. Only low levels of aluminum contamination are observed (below 2.7 wt%), attributed to the comminution step of the waste using an angle grinder adapted to cutting discs with abrasive aluminum oxide grains before the grounding process in the knife mill.