bluuebunny/crossref_metadata_2025 huggingface dataset:
Revealing the Diversity of Sequences, Structures, and Targets of Peptides from South China Sea Macrodactyla doreensis Based on Transcriptomics
Authors: Hua Ziqiang , Liao Yanling , Fu Jinxing , Li Xinru , Xu Qianxia , Lin Limin , Huang Meiling , Gao Bingmiao
Published: October 2024

The South China Sea is rich in sea anemone resources, and the protein and peptide components from sea anemone toxins comprise an important treasure trove for researchers to search for leading compounds. This study conducted a comprehensive transcriptomic analysis of the tentacles and column of Macrodactyla doreensis and explored the distribution and diversity of proteins and peptides in depth using bioinformatics, initially constructing a putative protein and peptide database. In this database, typical peptide families are identified through amino acid sequence analysis, and their 3D structures and potential biological activities are revealed through AlphaFold2 modeling and molecular docking. A total of 4239 transcripts were identified, of which the putative protein accounted for 81.53%. The highest content comprised immunoglobulin and a variety of proteases, mainly distributed in the column and related to biological functions. Importantly, the putative peptide accounted for 18.47%, containing ShK domain and Kunitz-type peptides, mainly distributed in the tentacles and related to offensive predatory behavior. Interestingly, 40 putative peptides belonging to eight typical peptide families were identified, and their structures and targets were predicted. This study reveals the diversity and complexity of Macrodactyla doreensis toxins and predicts their structure and targets based on amino acid sequences, providing a feasible approach for research regarding the discovery of peptides with potentially high activity.
Predictors of Failed Outcomes in Ureteral Reconstruction: A Real-World Retrospective Study
Authors: Lin Ching-Shiang , Lee Jian-Ri , Chiu Kun-Yuan , Wang Shian-Shiang , Chen Chuan-Shu , Lin Yu-Ju , Che Chen-Cheng
Published: October 2024

Background and Objectives: Ureteral reconstruction is aimed at maintaining ureteral patency without the need for long-term catheters like ureteral stents or percutaneous nephrostomies. Different surgical strategies are adopted based on the etiology, the location of the injury, and the severity of the injury. We aimed to analyze the parameters that can predict which patients might not be free from further catheterization after reconstruction. Materials and Methods: This study included patients who underwent ureteral reconstruction from January 2007 to December 2021. The success of ureteral reconstruction was defined as being free from further catheterization after the operation. Results: A total of 184 patients underwent ureteral reconstruction. Malignant disease with ureteral invasion and iatrogenic injuries accounted for 79.9% of the cases. The majority (79.3%) did not have to undergo subsequent interventions. Predictors for a failed result of ureteral reconstruction included a history of radiotherapy (OR = 2.75, p = 0.01), chronic kidney disease (CKD) (OR = 3.42, p < 0.001), and an upper ureteric location of the injury (OR = 5.68, p = 0.042). Conclusions: A history of radiation therapy, an upper third ureteric location of the injury, and CKD were identified as predictors of a failed ureteral reconstruction. Malignant diseases, surgical methods, and repair techniques did not significantly affect the outcome of the operation.
Response of a Blood Clot Adherent to Bone, Oral Mucosa and Hard Dental Tissues to a Uniaxial Tensile Test: An In Vitro Study
Authors: Pellegrini Gaia , Fedele Roberto , Carmagnola Daniela , Dellavia Claudia , Pagni Giorgio , Henin Dolaji , Cossellu Gianguido , Fessi Sabrine , Rasperini Giulio
Published: October 2024

Background and Objectives: Periodontal therapy aims to arrest the progression of periodontal diseases and possibly to regenerate the periodontal apparatus. To shift healing from repair to regeneration, the blood clot that fills the periodontal defect and remains in contact with structures such as tooth root, mucosa and bone needs to be stable, which is a reason why the treatment of non-containing periodontal bone defects, in which the clot may undergo displacement, is challenging. The gingival soft tissue, properly sutured, may act as a wall for blood clot stabilization. Knowledge on the response of the blood clot to stress and how it might vary according to the characteristics of the tissues it gets in contact with might be deepened. The aim of this study was to investigate in vitro, by means of a micro-loading device, the response of the complex formed by a blood clot and diverse tissues, simulating those involved in periodontal regeneration, to a displacing tensile test. Materials and Methods: Experimental samples made of two layers of either hard dental tissues, cancellous bone or oral mucosa, between which fresh blood was interposed, underwent a debonding experiment by means of a micro-loading device that measured their response to uniaxial tensile stress. Results: The peak of tensile stress and the overall work needed for the complete rupture of the clot’s fibrin filaments were significantly higher for hard dental tissues than for other tissues. However, mucosa sustained the highest maximal strain in terms of relative displacement between the plates of the micro-loading device to accomplish the complete rupture of the fibrin filaments compared to the other tissues, suggesting that the mucosa might act as a stable interface with the clot and be able to sustain tensile stresses. Conclusions: This in vitro study seems to support the use of mucosa to act as a wall for regenerative procedures of suprabony periodontal defects given its capability to form a stable interface with the clot.
New Insights into the Assessment of Peri-Operative Risk in Women Undergoing Surgery for Gynecological Neoplasms: A Call for a New Tool
Authors: Krutsch Alfred-Dieter , Tudoran Cristina , Motofelea Alexandru Catalin
Published: October 2024

Existing tools for predicting postoperative complications in women undergoing surgery for gynecological neoplasms are evaluated in this narrative review. Although surgery is a very efficient therapy for gynecological tumors, it is not devoid of the possibility of negative postoperative outcomes. Widely used tools at present, such as the Surgical Apgar Score and the Modified Frailty Index, fail to consider the complex characteristics of gynecological malignancies and their related risk factors. A thorough search of the PubMed database was conducted for our review, specifically targeting studies that investigate several aspects impacting postoperative outcomes, including nutritional status, obesity, albumin levels, sodium levels, fluid management, and psychological well-being. Research has shown that both malnutrition and obesity have a substantial impact on postoperative mortality and morbidity. Diminished sodium and albumin levels together with compromised psychological well-being can serve as reliable indicators of negative consequences. The role of appropriate fluid management in enhancing patient recovery was also investigated. The evidence indicates that although current mechanisms are useful, they have limitations in terms of their range and do not thoroughly address these recently identified risk factors. Therefore, there is a need for a new, more comprehensive tool that combines these developing elements to more accurately forecast postoperative problems and enhance patient results in gynecological oncology. This paper highlights the need to create such a tool to improve clinical practice and the treatment of patients.
Biomarker Profiles and Clinicopathological Features in Head and Neck Squamous Cell Carcinoma Patients
Authors: Szatmari Timea , Mocan Simona , Neagos Cristian Mircea , Pap Zsuzsanna
Published: October 2024

Background and Objectives: Head and neck squamous cell carcinomas (HNSCCs) vary significantly in terms of invasiveness, growth rate, and metastatic potential. This study aimed to investigate the expression of several prognostic biomarkers (Ki67, p53, EGFR, COX-2, Cx43, and p16) in HNSCC from various anatomical regions and to correlate these expressions with clinicopathological parameters. Materials and Methods: We performed immunohistochemistry on 91 histologically verified HNSCC cases from the County Emergency Hospital, Targu Mures. Biomarker expression for Ki67, COX-2, and Cx43 was assessed using a standard immunoexpression scoring system: S1: 0–10%, S2: 11–25%, S3: 26–50%, S4 > 50%; EGFR was scored based on membrane staining intensity: 0, 1+, 2+, 3+; we classified p16 as positive or negative; p53 was grouped into mutant and wild-type; and we compared these across histopathological types, tumor grades, anatomical locations, gender, and different age groups. We performed a comparative analysis of Cx43 expression levels in relation to the expression of the rest of the markers. Statistical analysis was conducted using GraphPad InStat 3 software, version 3.06 (GraphPad Software Inc., San Diego, USA). Results: The majority of tumors were in males (95.6%) aged 51–60 years. Mutant p53 expression was prevalent in most cases. Elevated Ki67 and EGFR expression were associated with more aggressive tumors. COX-2 levels varied, with a higher proportion of moderate and high immunoexpression (S3 + S4) observed in patients under 70 years old. Cx43 expression was generally low, especially in extralaryngeal tumors. Conclusions: HNSCC primarily affects older males, with the larynx being the most common site. High levels of Ki-67 and EGFR suggest more aggressive tumors, while low COX-2 levels reflect varying prognoses. Women may develop more aggressive tumors, and extralaryngeal tumors often present with more challenging prognoses. Low Cx43 expression may be more likely to coincide with higher Ki67 and COX-2 levels, possibly indicating a link with more aggressive tumor behavior.
Three-Dimensional Mandibular Condyle Remodeling Post-Orthognathic Surgery: A Systematic Review
Authors: Petronis Zygimantas , Janovskiene Audra , Rokicki Jan Pavel , Razukevicius Dainius
Published: October 2024

Background and Objectives: The most popular surgical procedures among orthognathic surgeries for Class II and III patients are Le Fort 1 osteotomy for the maxilla and bilateral sagittal split ramus osteotomy (BSSRO) for the mandible. Keeping the condyle in its proper place during fixation is one of the difficulties of orthognathic surgery. One of the worst post-orthognathic surgery consequences in the temporomandibular joint (TMJ) area may be condylar resorption. Condylar remodeling refers to a group of processes that occur in reaction to forces and stress placed on the temporomandibular joint in order to preserve morphological, functional, and occlusal balance. A systematic review of the literature was performed with the aim of identifying the mandibular condylar component of TMJ changes after orthognathic surgery in class II and III patients. Materials and Methods: An electronic search was carried out using the PubMed, Cochrane Library, and Google Scholar, databases. The inclusion criteria included trials in non-growing patients upon whom orthognathic surgery was performed due to Angle II or Angle III classes malocclusion; in addition, a CT or cone beam computed tomography (CBCT) scan was performed before and after surgery to track the mandibular condylar component of TMJ changes. The quality of the studies was evaluated by two independent authors. The risk of bias was assessed by using the Downs and Black checklist. Results: The electronic and manual literature search yielded 12 studies that fulfilled all necessary inclusion criteria. Observed studies were evaluated as good (3), fair (8), and poor (1) quality. Two studies evaluated class II patients, six studies observed class III patients, and four studies were comparative. Most of the studies evaluated condyle angle and space changes, and the condylar surface and volume changes were also observed. However, the methodology of evaluation in the publications differs. Conclusions: Reduction of bone density, especially in class II patients, and morphological condyle reshaping, with the apposition of the bone, is the main adaptive mechanism after orthognathic surgery. However, all of the studies we examined were conducted using different methods of evaluation, measurement, and reference points.
Efficacy and Tolerability of Erenumab and Topiramate for Prevention of Chronic Migraine: A Retrospective Cohort Study
Authors: Nebrisi Eslam El , Ruwayya Zainaba Suaad Ahmed , Alzayori Dalya Ibrahim , Alzayori Ranya Ibrahim , Chandran Shyam Babu , Elshafei Mohamed
Published: October 2024

Background and Objectives: Migraine is a chronic neurological disorder affecting approximately 14% of the global population. Beyond physical pain, migraines significantly impact individuals’ quality of life, influencing education, employment, and income levels. Topiramate, a second-generation antiepileptic medication, has demonstrated notable efficacy in reducing the occurrence of chronic migraine. Over the past three decades, extensive research has implicated the neuropeptide calcitonin gene-related peptide (CGRP) in migraine pathogenesis. Erenumab, the first FDA-approved CGRP inhibitor, received approval in 2018. This study aims to compare the clinical efficacy of Erenumab and Topiramate for migraine prevention. Materials and Methods: We conducted a retrospective cohort study of adults with episodic or chronic migraine over a 12-month period, comparing Erenumab (n = 52) and Topiramate (n = 56). Outcomes assessed included changes in the Migraine Disability Assessment (MIDAS) scores from baseline over the last three months of treatment and the proportion of patients achieving a ≥50% reduction in MIDAS scores by the end of the study. Results: The Erenumab group showed significant improvement, with nearly 79% of patients achieving a 50% reduction in their MIDAS score, with a mean reduction of 3.76. Notably, only two patients (3.8.5) discontinued treatment due to adverse events. In contrast, the Topiramate group had over 15% of patients achieve a 50% reduction in MIDAS scores, with a mean reduction of 5.89, and a had discontinuation rate of 14.2% due to adverse events. Conclusions: Both Topiramate and Erenumab are effective for migraine prevention. However, Topiramate has lower tolerability and more side effects, while Erenumab offers better tolerability and safety at a higher cost. Treatment decisions should be individualized based on patient needs, efficacy, safety, and cost considerations.
Thyrotoxic Periodic Paralysis: A Rare Cause of Quadriparesis in a Young and Seemingly Healthy Patient
Authors: Florescu Adrian-Gabriel , Galeș Evelina-Ioana , Frunză Sabina Adriana , Diaconu Camelia Cristina
Published: October 2024

Hypokalemia is a common laboratory finding in hospitalized patients, typically resulting from insufficient potassium intake, renal or gastrointestinal losses, or intracellular shifts. While the underlying cause is often easily identifiable, certain cases present diagnostic challenges, and if left unrecognized, the consequences can be life-threatening. We report a rare and atypical case of severe symptomatic hypokalemia as the initial presentation of newly diagnosed Graves’ disease. The condition was caused by thyrotoxic periodic paralysis, a rare but serious complication of thyrotoxicosis, predominantly seen in East Asian populations. This disorder is characterized by episodes of acute, reversible muscle weakness associated with transient hypokalemia, which increases the risk of falls and traumatic injuries. The prompt identification of the etiology in such cases is critical for preventing recurrence and avoiding potentially fatal complications.
Development and Validation of a New Eco-Friendly HPLC-PDA Bioanalytical Method for Studying Pharmacokinetics of Seliciclib
Authors: Abuhejail Reem M. , Alzoman Nourah Z. , Darwish Ibrahim A.
Published: October 2024

Background and Objectives: Seliciclib (SEL) is the first selective, orally bioavailable potential drug containing cyclin-dependent kinase inhibitors. Preclinical studies showed antitumor activity in a broad range of human tumor xenografts, neurodegenerative diseases, renal dysfunctions, viral infections, and chronic inflammatory disorders. To support the pharmacokinetics and aid in therapeutic monitoring of SEL following its administration for therapy, an efficient analytical tool capable of quantifying the concentrations of SEL in blood plasma is needed. In the literature, there is no existing method for quantifying SEL in plasma samples. This study introduces the first HPLC method with a photodiode array (PDA) detector for the quantitation of SEL in plasma. Materials and Methods: The chromatographic resolution of SEL and linifanib as an internal standard (IS) was achieved on Zorbax Eclipse Plus C18 HPLC column (150 mm length × 4.6 mm internal diameter, 5 µm particle size), with a mobile phase composed of acetonitrile–ammonium acetate, pH 5 (50:50, v/v) at a flow rate of 1.0 mL min−1. Both SEL and IS were detected by PDA at 230 nm. The method was validated according to the ICH guidelines for bioanalytical method validation. Results: The method exhibited linearity in concentrations ranging from 50 to 1000 ng mL−1, with a limit of quantitation of 66.1 ng mL−1. All remaining validation parameters satisfied the ICH validation criteria. The environmental sustainability of the method was verified using three extensive tools. The proposed HPLC-PDA method was effectively utilized to study the pharmacokinetics of SEL in rats after a single oral administration of 25 mg/kg. Conclusions: The proposed method stands as a valuable tool for studying SELs for pharmacokinetics in humans. It aids in achieving the targeted therapeutic advantages and safety of treatment with SEL by optimizing the SEL dosage and dosing schedule.
Electroformation of Giant Unilamellar Vesicles from Damp Films in Conditions Involving High Cholesterol Contents, Charged Lipids, and Saline Solutions
Authors: Mardešić Ivan , Boban Zvonimir , Raguz Marija
Published: October 2024

Giant unilamellar vesicles (GUVs) are frequently used as membrane models in studies of membrane properties. They are most often produced using the electroformation method. However, there are a number of parameters that can influence the success of the procedure. Some of the most common conditions that have been shown to have a negative effect on GUV electroformation are the presence of high cholesterol (Chol) concentrations, the use of mixtures containing charged lipids, and the solutions with an elevated ionic strength. High Chol concentrations are problematic for the traditional electroformation protocol as it involves the formation of a dry lipid film by complete evaporation of the organic solvent from the lipid mixture. During drying, anhydrous Chol crystals form. They are not involved in the formation of the lipid bilayer, resulting in a lower Chol concentration in the vesicle bilayer compared to the original lipid mixture. Motivated primarily by the issue of artifactual Chol demixing, we have modified the electroformation protocol by incorporating the techniques of rapid solvent exchange (RSE), ultrasonication, plasma cleaning, and spin-coating for reproducible production of GUVs from damp lipid films. Aside from decreasing Chol demixing, we have shown that the method can also be used to produce GUVs from lipid mixtures with charged lipids and in ionic solutions used as internal solutions. A high yield of GUVs was obtained for Chol/1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) samples with mixing ratios ranging from 0 to 2.5. We also succeeded in preparing GUVs from mixtures containing up to 60 mol% of the charged lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (POPS) and in NaCl solutions with low ionic strength (<25 mM).
Efficient Removal of PFASs Using Photocatalysis, Membrane Separation and Photocatalytic Membrane Reactors
Authors: Mabaso Nonhle Siphelele Neliswa , Tshangana Charmaine Sesethu , Muleja Adolph Anga
Published: October 2024

Perfluoroalkyl and polyfluoroalkyl substances (PFASs) are persistent compounds characterized by stable C−F bonds giving them high thermal and chemical stability. Numerous studies have highlighted the presence of PFASs in the environment, surface waters and animals and humans. Exposure to these chemicals has been found to cause various health effects and has necessitated the need to develop methods to remove them from the environment. To date, the use of photocatalytic degradation and membrane separation to remove PFASs from water has been widely studied; however, these methods have drawbacks hindering them from being applied at full scale, including the recovery of the photocatalyst, uneven light distribution and membrane fouling. Therefore, to overcome some of these challenges, there has been research involving the coupling of photocatalysis and membrane separation to form photocatalytic membrane reactors which facilitate in the recovery of the photocatalyst, ensuring even light distribution and mitigating fouling. This review not only highlights recent advancements in the removal of PFASs using photocatalysis and membrane separation but also provides comprehensive information on the integration of photocatalysis and membrane separation to form photocatalytic membrane reactors. It emphasizes the performance of immobilized and slurry systems in PFAS removal while also addressing the associated challenges and offering recommendations for improvement. Factors influencing the performance of these methods will be comprehensively discussed, as well as the nanomaterials used for each technology. Additionally, knowledge gaps regarding the removal of PFASs using integrated photocatalytic membrane systems will be addressed, along with a comprehensive discussion on how these technologies can be applied in real-world applications.
Electron Backscatter Diffraction Analysis of Low-Misorientation-Angle Boundary and High-Energy Boundary in the Hot-Rolled Plate of Grain-Orientated Silicon Steel
Authors: Zou Xiang , Liu Qingyou , Qiu Shengtao
Published: October 2024

In order to study the texture evolution and the formation of an inhomogeneous microstructure in hot-rolled plate of grain-orientated silicon steel, Fe3C (hexagonal) and ferrite phases in the subsurface layer were studied using electron backscatter diffraction. The results indicate that fiber texture (ferrite) mainly composed of {441}<104> and (110)[001] Goss oriented grains was formed at a depth of 25% of the thickness of hot-rolled plate. Matrix grains in the subsurface layer were arbitrary separated into irregular large grains (≥40 μm) and fine grains (<40 μm), and the grain boundary characteristics and texture evolution of matrix grains were studied. The results indicated that the formation of the colonies of fine grains was the result of dynamic recrystallization, and high-frequency low-misorientation-angle boundaries (0~20°) were formed between large grains (≥40 μm) and fine grains (<40 μm), which can be considered as the irregularity of large grains caused by solid-state wetting. Due to the texture evolution of large grains (≥40 μm), a large number of high-energy boundaries (20~45°) were formed between irregular large grains (≥40 μm), resulting in rapid consumption between adjacent large grains and the elongation of large grains along the rolling direction. Therefore, it can be assumed that the migration of low-misorientation-angle boundaries (0~20°) under solid-state wetting and high-energy boundaries (20~45°) are important mechanisms for non-uniform grain growth in hot-rolled plate of grain-orientated silicon steel.
Topic Modeling as a Tool to Identify Research Diversity: A Study Across Dental Disciplines
Authors: Colangelo Maria Teresa , Guizzardi Stefano , Galli Carlo
Published: October 2024

This study investigates the diversity and evolution of research topics within the dental sciences from 1994 to 2023, using Topic modeling and Shannon’s entropy as a measure of research diversity. We analyzed a dataset of 412,036 scientific articles across six dental disciplines: Orthodontics, Prosthodontics, Periodontics, Implant Dentistry, Oral Surgery, and Restorative Dentistry. This research relies on BERTopic to identify distinct topics within each field. The study revealed significant shifts in research focus over time, with some disciplines exhibiting robust growth in article numbers, such as Periodontics and Prosthodontics. However, despite the overall increase in publications, the number of topics per discipline varied, with Restorative Dentistry increasing at a faster rate and exceeding 50 topics over the last 15 years. We observed an increasing diversification of research efforts in disciplines such as Restorative Dentistry, with entropy levels consistently above 2 and progressively increasing. In contrast, fields such as Prosthodontics, despite high publication output, maintained a more specialized research focus, reflected in entropy levels remaining below 1.5. Oral Surgery showed a steep increase in research diversification until 2000, after which it stabilized. Taken together, our findings describe the dynamic nature of dental research and highlight the balance shifts in research focus across several key areas of Dentistry.
Electrochemical Machining of Micro-Pit Arrays on a GH4169 Alloy with a Roll-Print Mask Using a C6H5Na3O7-Containing NaNO3 Mixed Electrolyte
Authors: Qin Ge , Li Shiwei , Li Meng , Peng Haoyu , Niu Shen , Li Xinchao , Liu Huan , Yan Liang , Ming Pingmei
Published: October 2024

GH4169 alloy, a nickel-based superalloy known for its excellent high temperature resistance, corrosion resistance, mechanical properties, and high-temperature tribological properties, is widely used in industrial applications, such as in gas turbines for space shuttles and rocket engines. This study addresses the issue of electrolyte product residue in the electrochemical machining process of a GH4169 alloy by utilizing a C6H5Na3O7-containing NaNO3 new mixed electrolyte. Comparative investigations of the electrochemical behavior and electrolyte product removal mechanisms at different concentrations of C6H5Na3O7 additive in NaNO3 solutions were conducted. The effects of additives, applied voltage, and the rotating speed of the cathode tool on the processing performance of micro-pit arrays on a GH4169 alloy were analyzed. The results indicate that the mixed solution containing C6H5Na3O7 significantly improves the localization and geometric morphology of the micro-pits compared to a single NaNO3 solution. The optimal electrochemical machining parameters were identified as 0.5 wt% C6H5Na3O7 + 10 wt% NaNO3 mixed electrolyte, 12 V applied voltage, and 0.1 r/min rotating speed of the cathode tool. Under these conditions, high-quality micro-pit arrays with an average diameter of 405.85 μm, an average depth of 87.5 μm, and an etch factor (EF) of 1.67 were successfully fabricated, exhibiting excellent morphology, localization, and consistency.
Honeycomb-Shaped Phononic Crystals on 42°Y-X LiTaO3/SiO2/Poly-Si/Si Substrate for Improved Performance and Miniaturization
Authors: Tang Panliang , Pan Hongzhi , Workie Temesgen Bailie , Mi Jia , Bao Jingfu , Hashimoto Ken-ya
Published: October 2024

A SAW device with a multi-layered piezoelectric substrate has excellent performance due to its high Q value. A multi-layer piezoelectric substrate combined with phononic crystal structures capable of acoustic wave reflection with a very small array can achieve miniaturization and high performance. In this paper, a honeycomb-shaped phononic crystal structure based on 42°Y-X LT/SiO2/poly-Si/Si-layered substrate is proposed. The analysis of the bandgap distribution under various filling fractions was carried out using dispersion and transmission characteristics. In order to study the application of PnCs in SAW devices, one-port resonators with different reflectors were compared and analyzed. Based on the frequency response curves and Bode-Q value curves, it was found that when the HC-PnC structure is used as a reflector, it can not only improve the transmission loss of the resonator but also reduce the size of the device.
Listeriosis: Characteristics, Occurrence in Domestic Animals, Public Health Significance, Surveillance and Control
Authors: Končurat Ana , Sukalić Tomislav
Published: October 2024

Listeriosis is a dangerous zoonosis caused by bacteria of the genus Listeria, with Listeria monocytogenes (LM) being the most pathogenic species. Listeria monocytogenes has been detected in various animal species and in humans, and its ability to evolve from an environmental saprophyte to a powerful intracellular pathogen is driven by the invasion mechanisms and virulence factors that enable cell invasion, replication and cell-to-cell spread. Key regulatory systems, including positive regulatory factor A (PrfA) and the stress-responsive sigma factor σB, control the expression of virulence genes and facilitate invasion of host cells. Listeriosis poses a significant threat to cattle, sheep and goat herds, leading to abortions, septicemia and meningoencephalitis, and ruminants are important reservoirs for Listeria, facilitating transmission to humans. Other Listeria species such as Listeria ivanovii and Listeria innocua can also cause disease in ruminants. Resilience of LM in food processing environments makes it an important foodborne pathogen that is frequently transmitted through contaminated meat and dairy products, with contamination often occurring along the food production chain. In humans, listeriosis primarily affects immunocompromised individuals, pregnant women and the elderly and leads to severe conditions, such as meningitis, septicemia and spontaneous abortion. Possible treatment requires antibiotics that penetrate the blood–brain barrier. Despite the relatively low antimicrobial resistance, multidrug-resistant LM strains have been detected in animals, food and the environment. Controlling and monitoring the disease at the herd level, along with adopting a One Health approach, are crucial to protect human and animal health and to minimize the potential negative impacts on the environment.
Aeschynite Group Minerals Are a Potential Recovery Target for Niobium Resources at the Giant Bayan Obo Nb–REE–Fe Deposit in China
Authors: Yang Bo , Yang Li , Zhao Yong-Gang , Yan Guo-Ying , Liu Jian-Yong , Meng Wen-Xiang , Yu Jun-Fang , Chen Lei , Li Xiao-Chun , Li Xian-Hua
Published: October 2024

With the development of the steel industry, China’s demand for niobium is increasing. However, domestic niobium resources are not yet stably supplied and are heavily dependent on imports from abroad (nearly 100%). It is urgent to develop domestic niobium resources. The Bayan Obo deposit is the largest rare earth element deposit in the world and contains a huge amount of niobium resources. However, the niobium resource has not been exploited due to the fine-grained size and heterogeneous and scattered occurrences of Nb minerals. To promote the utilization of niobium resources in the Bayan Obo deposit, we focused on the mineralogical and geochemical characterization of six types of ores and mineral processing samples from the Bayan Obo deposit, using optical microscopes, EPMA, TIMA, and LA–ICP–MS. Our results show that: (1) the niobium mineral compositions are complex, with the main Nb minerals including aeschynite group minerals, columbite–(Fe), fluorcalciopyrochlore, Nb–bearing rutile, baotite, fergusonite–(Y), fersmite, and a small amount of samarskite–(Y). Aeschynite group minerals, columbite–(Fe), and fluorcalciopyrochlore are the main niobium-carrying minerals and should be the primary focus of industrial recycling and utilization. Based on mineralogical and geochemical investigation, the size of the aeschynite group minerals is large enough for mineral processing. Aeschynite group minerals are thus a significant potential recovery target for niobium, as well as for medium–heavy REE resources. The Nb–rich aegirine-type ores with aeschynite group mineral megacrysts are suggested to be the most significant niobium resource for mineral processing and prospecting. Combined with geological features, mining, and mineral processing, niobium beneficiation efforts of aeschynite group minerals are crucial for making breakthroughs in the utilization of niobium resources at the Bayan Obo.
Protective Role of Eicosapentaenoic and Docosahexaenoic and Their N-Ethanolamide Derivatives in Olfactory Glial Cells Affected by Lipopolysaccharide-Induced Neuroinflammation
Authors: Pellitteri Rosalia , La Cognata Valentina , Russo Cristina , Patti Angela , Sanfilippo Claudia
Published: October 2024

Neuroinflammation is a symptom of different neurodegenerative diseases, and growing interest is directed towards active drug development for the reduction of its negative effects. The anti-inflammatory activity of polyunsaturated fatty acids, eicosapentaenoic (EPA), docosahexaenoic (DHA), and their amide derivatives was largely investigated on some neural cells. Herein, we aimed to elucidate the protective role of both EPA and DHA and the corresponding N-ethanolamides EPA-EA and DHA-EA on neonatal mouse Olfactory Ensheathing Cells (OECs) after exposition to lipopolysaccharide (LPS)-induced neuroinflammation. To verify their anti-inflammatory effect and cell morphological features on OECs, the expression of IL-10 cytokine, and cytoskeletal proteins (vimentin and GFAP) was evaluated by immunocytochemical procedures. In addition, MTT assays, TUNEL, and mitochondrial health tests were carried out to assess their protective effects on OEC viability. Our results highlight a reduction in GFAP and vimentin expression in OECs exposed to LPS and treated with EPA or DHA or EPA-EA or DHA-EA in comparison with OECs exposed to LPS alone. We observed a protective role of EPA and DHA on cell morphology, while the amides EPA-EA and DHA-EA mainly exerted a superior anti-inflammatory effect compared to free acids.
Enhanced Yield of Methyl Ethyl Ketone through Levulinic Acid Decarboxylation in the AgNO3/K2S2O8 System: Mechanistic Insights and Characterization of Metallic Species
Authors: Guzmán Barrera Nydia I. , Peydecastaing Jérôme , Esvan Jérôme , Albet Joël , Vaca-Garcia Carlos , Behra Philippe , Vedrenne Emeline , Thiébaud-Roux Sophie
Published: October 2024

Methyl ethyl ketone (MEK) is among the most extensively utilized solvents in various industrial applications. In this study, we present a highly efficient synthesis route for MEK via the decarboxylation of biomass-derived levulinic acid, using potassium persulfate (K2S2O8) and silver nitrate (AgNO3) as key reagents. The specific roles of AgNO3 and K2S2O8 were thoroughly investigated. Additional silver species, such as Ag2O and AgO, were also detected during the reaction. X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) analyses provided evidence of the evolution of solid phases throughout the reaction. Based on these findings, we propose a radical decarboxylation mechanism initiated by the generation of sulfate radicals (SO4•⁻) through the catalytic breakdown of K2S2O8 by AgNO3. This mechanistic understanding, combined with a parametric study, enabled us to achieve an unprecedented level of levulinic acid conversion (97.9%) and MEK yield (86.6%) with this system, surpassing all previously reported results in the literature.
Phthalate Esters in Different Types of Cosmetic Products: A Five-Year Quality Control Survey
Authors: Aldegunde-Louzao Natalia , Lolo-Aira Manuel , Herrero-Latorre Carlos
Published: October 2024

Phthalate esters are commonly included in the formulations of cosmetics and related products in order to retain fragrance, enhance flexibility (i.e., by acting as plasticizers), facilitate the dissolution and dispersion of other ingredients, and improve the overall texture and sensory experience of the products. This study aimed to assess the presence and concentrations of phthalates in cosmetics by analyzing a comprehensive set of samples collected over a period of five years (2016–2020). The concentrations of nine different phthalate esters (BBP, DEHP, DNOP, DPP, DBP, DIPP, DMEP, DMP and PIPP) in 1110 cosmetics samples from France and Spain were determined by gas chromatography–mass spectrometry. The samples were included in five categories: soaps and shampoos; hand and body creams; lip gloss and lipsticks; nail polish; and facial makeup and skincare products. Some of the samples (4.86%) contained at least one phthalate at concentrations above the threshold limit (1 µg mL−1). Variable concentrations of different phthalates were determined in the 54 positive samples identified. DEHP was the most frequently detected phthalate, followed by DBP. The findings revealed different profiles according to the different categories of cosmetics and the phthalates detected in each. The results were critically compared with those obtained in various previous studies.
Fumed-Si-Pr-Ald-Barb as a Fluorescent Chemosensor for the Hg2+ Detection and Cr2O72− Ions: A Combined Experimental and Computational Perspective
Authors: Mohammadi Ziarani Ghodsi , Rezakhani Mahtab , Feizi-Dehnayebi Mehran , Nikolova Stoyanka
Published: October 2024

The surface of fumed silica nanoparticles was modified by pyridine carbaldehyde and barbituric acid to provide fumed-Si-Pr-Ald-Barb. The structure was identified and investigated through diverse techniques, such as FT-IR, EDX, Mapping, BET, XRD, SEM, and TGA. This nanocomposite was used to detect different cations and anions in a mixture of H2O:EtOH. The results showed that fumed-Si-Pr-Ald-Barb can selectively detect Hg2+ and Cr2O72− ions. The detection limits were calculated at about 5.4 × 10−3 M for Hg2+ and 3.3 × 10−3 M for Cr2O72− ions. A computational method (DFT) was applied to determine the active sites on the Pr-Ald-Barb for electrophilic and nucleophilic attacks. The HOMO-LUMO molecular orbital was calculated by B3LYP/6-311G(d,p)/LANL2DZ theoretical methods. The energy gap for the Pr-Ald-Barb and Pr-Ald-Barb+ion complexes was predicted by the EHOMO and ELUMO values. The DFT calculation confirms the suggested experimental mechanism for interacting the Pr-Ald-Barb with ions.
The Potential of Glucosinolates and Their Hydrolysis Products as Inhibitors of Cytokine Storms
Authors: Ochar Kingsley , Iwar Kanivalan , Nair Vadakkemuriyil Divya , Chung Yun-Jo , Ha Bo-Keun , Kim Seong-Hoon
Published: October 2024

A cytokine storm is an intense inflammatory response characterized by the overproduction of proinflammatory cytokines, resulting in tissue damage, and organ dysfunction. Cytokines play a crucial role in various conditions, such as coronavirus disease, in which the immune system becomes overactive and releases excessive levels of cytokines, including interleukins, tumor necrosis factor-alpha (TNF-α), and interferon-gamma (IFN-γ). This anomalous response often leads to acute respiratory distress syndrome (ARDS), disseminated intravascular coagulation (DIC), and multiple organ injury (MOI). Glucosinolates are plant secondary metabolites predominantly found in Brassica vegetables, but are also present in other species, such as Moringa Adens and Carica papaya L. When catalyzed by the enzyme myrosinase, glucosinolates produce valuable products, including sulforaphane, phenethyl isothiocyanate, 6-(methylsulfinyl) hexyl isothiocyanate, erucin, goitrin, and moringin. These hydrolyzed products regulate proinflammatory cytokine production by inhibiting the nuclear factor kappa-light-chain-enhancer of activated B-cell (NF-κB) signaling pathway and stimulating the nuclear factor erythroid 2-related factor 2 (Nrf2) signaling pathway. This action can alleviate hyperinflammation in infected cells and modulate cytokine storms. In this review, we aimed to examine the potential role of glucosinolates in modulating cytokine storms and reducing inflammation in various conditions, such as coronavirus disease. Overall, we found that glucosinolates and their hydrolysis products can potentially attenuate cytokine production and the onset of cytokine storms in diseased cells. In summary, glucosinolates could be beneficial in regulating cytokine production and preventing complications related to cytokine storms.
The Experimental and Modeling Study on the Thermodynamic Equilibrium Hydrate Formation Pressure of Helium-Rich Natural Gas in the Presence of Tetrahydrofuran
Authors: Liu Zengqi , Zhang Guangqi , Lu Fangfang , Ren Qiyuan , Xu Zhen , Fan Shiguang , Sun Qiang , Wang Yiwei , Guo Xuqiang
Published: October 2024

Hydrate-based gas separation (HBGS) has good potential in the separation of helium from helium-rich natural gas. HBGS should be carried out under a pressure higher than the thermodynamic equilibrium hydrate formation pressure (Peq) to ensure the formation of hydrate so that the accurate prediction of Peq is the basis of the determination of HBGS pressure. In this work, the Peq of the helium-rich natural gases with different helium contents (1 mol%, 10 mol%, and 50 mol%) in gas and different tetrahydrofuran (THF) contents (5 wt%, 10 wt%, and 19 wt%) in liquid at different temperatures were experimentally investigated through the isothermal pressure search method. A new thermodynamic model was proposed to predict the Peq of helium-rich natural gas. This model can quantitatively describe the effects of THF and helium on Peq, and it predicts the Peq of the helium-rich natural gases in this work accurately. The average relative deviation of the model is less than 3%. This model can guide the determination of the operating condition of the HBGS of helium-rich natural gas.
StructNet-DDI: Molecular Structure Characterization-Based ResNet for Prediction of Drug–Drug Interactions
Authors: Wang Jihong , Wang Xiaodan , Pang Yuyao
Published: October 2024

This study introduces a deep learning framework based on SMILES representations of chemical structures to predict drug–drug interactions (DDIs). The model extracts Morgan fingerprints and key molecular descriptors, transforming them into raw graphical features for input into a modified ResNet18 architecture. The deep residual network, enhanced with regularization techniques, efficiently addresses training issues such as gradient vanishing and exploding, resulting in superior predictive performance. Experimental results show that StructNet-DDI achieved an AUC of 99.7%, an accuracy of 94.4%, and an AUPR of 99.9%, demonstrating the model’s effectiveness and reliability. These findings highlight that StructNet-DDI can effectively extract crucial features from molecular structures, offering a simple yet robust tool for DDI prediction.
Formulating Electrolytes for 4.6 V Anode-Free Lithium Metal Batteries
Authors: Deng Jiaojiao , Lin Hai , Hu Liang , Zhan Changzhen , Weng Qingsong , Yu Xiaoliang , Sun Xiaoqi , Zhang Qianlin , Mo Jinhan , Li Baohua
Published: October 2024

High-voltage initial anode-free lithium metal batteries (AFLMBs) promise the maximized energy densities of rechargeable lithium batteries. However, the reversibility of the high-voltage cathode and lithium metal anode is unsatisfactory in sustaining their long lifespan. In this research, a concentrated electrolyte comprising dual salts of LiTFSI and LiDFOB dissolved in mixing solvents of dimethyl carbonate (DMC) and fluoroethylene carbonate (FEC) with a LiNO3 additive was formulated to address this challenge. FEC and LiNO3 regulate the anion-rich solvation structure and help form a LiF, Li3N-rich solid electrolyte interphase (SEI) with a high lithium plating/stripping Coulombic efficiency of 98.3%. LiDFOB preferentially decomposes to effectively suppress the side reaction at the high-voltage operation of the Li-rich Li1.2Mn0.54Ni0.13Co0.13O2 cathode. Moreover, the large irreversible capacity during the initial charge/discharge cycle of the cathode provides supplementary lithium sources for cycle life extension. Owing to these merits, the as-fabricated AFLMBs can operate stably for 80 cycles even at an ultrahigh voltage of 4.6 V. This study sheds new insights on the formulation of advanced electrolytes for highly reversible high-voltage cathodes and lithium metal anodes and could facilitate the practical application of AFLMBs.
Application of Fabric Phase Sorptive Extraction as a Green Method for the Analysis of 10 Anti-Diabetic Drugs in Environmental Water Samples
Authors: Misolas Augosto , Sleiman Mohamad , Sakkas Vasilios
Published: October 2024

Due to the increased prevalence of diabetes, the consumption of anti-diabetic drugs for its treatment has likewise increased. Metformin is an anti-diabetic drug that is commonly prescribed for patients with type 2 diabetes and has been frequently detected in surface water and wastewaters, thus representing an emerging contaminant. Metformin can be prescribed in combination with other classes of anti-diabetic drugs; however, these drugs are not sufficiently investigated in environmental samples. Fabric phase sorptive extraction (FPSE) has emerged as a simple and green method for the extraction of analytes in environmental samples. In this study, FPSE coupled with a high-performance liquid chromatography diode array detector (HPLC-DAD) was employed for the simultaneous analysis of different classes of anti-diabetic drugs (metformin, dapagliflozin, liraglutide, pioglitazone, gliclazide, glimepiride, glargine, repaglinide, sitagliptin, and vildagliptin) in environmental water samples. Four different fabric membranes were synthesized but the microfiber glass filter coated with sol-gel polyethylene glycol (PEG 300) was observed to be the best FPSE membrane. The parameters affecting the FPSE process were optimized using a combination of one-factor-at-a-time processes and the design of experiments. The FPSE was evaluated as a green extraction method, based on green sample preparation criteria. The FPSE-HPLC-DAD method achieved acceptable validation results and was applied for the simultaneous analysis of anti-diabetic drugs in surface and wastewater samples. Glimepiride was detected below the quantification limit in both lake and river water samples. Dapagliflozin, liraglutide, and glimepiride were detected at 69.0 ± 1.0 μg·L−1, 71.9 ± 0.4 μg·L−1, and 93.9 ± 1.3 μg·L−1, respectively, in the city wastewater influent. Dapagliflozin and glimepiride were still detected below the quantification limit in city wastewater effluent. For the hospital wastewater influent, metformin and glimepiride were detected at 1158 ± 21 μg·L−1 and 28 ± 0.8 μg·L−1, respectively, while only metformin (392.6 ± 7.7 μg·L−1) was detected in hospital wastewater effluent.