bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of Spent Moulding Sand Using Thermal Treatment with Regard to the Possibility of Recovering Quartz Matrix
Authors: Łucarz Mariusz , Garbacz-Klempka Aldona , Brzeziński Marcin , Pribulová Alena , Fedorko Patrik
Published: December 2024

The ongoing sustainable reduction in natural resources is prompting companies to look for materials to reuse that were previously classified as waste. Uses are sought for them either in their existing area of use or in other areas of the economy. In many cases, this is difficult. The aim of this research is to see if there is a possibility of reusing the grain matrix, a major component of spent moulding sand that was perhaps diverted too early as waste to landfill. This study included three samples of spent moulding sand of unknown origin from landfills. A study of the collected materials was carried out to identify and characterise the impurities accumulated on the surface of the matrix grains. Sieve analyses, scanning photographs, and chemical analysis with a scanning microscope were performed. The surface morphology of the samples was assessed using a confocal microscope, and chemical composition analyses were performed using LIBS laser-induced emission spectroscopy LIBS. The thermogravimetric analysis, ignition loss, and gas formability of the tested materials were performed. The tested samples were subjected to high temperatures as the most efficient method of organic waste disposal. The analyses carried out earlier were repeated on the resulting material. It was found that only one of the tested samples, in the case of the application of thermal reclamation of spent moulding sand, allowed for obtaining a grain matrix (quartz sand) of high purity scale for reuse in the foundry industry or after further treatments in other industries. The other wastes analysed require intensive mechanical treatment, which does not guarantee, due to the shape of the grain matrix, the expected purity of the quartz sand or, in the case of intensive mechanical abrasive influences, a satisfactory grain matrix yield.
Graph-Variational Convolutional Autoencoder-Based Fault Detection and Diagnosis for Photovoltaic Arrays
Authors: Arifeen Murshedul , Petrovski Andrei , Hasan Md Junayed , Noman Khandaker , Navid Wasib Ul , Haruna Auwal
Published: December 2024

Solar energy is a critical renewable energy source, with solar arrays or photovoltaic systems widely used to convert solar energy into electrical energy. However, solar array systems can develop faults and may exhibit poor performance. Diagnosing and resolving faults within these systems promptly is crucial to ensure reliability and efficiency in energy generation. Autoencoders and their variants have gained popularity in recent studies for detecting and diagnosing faults in solar arrays. However, traditional autoencoder models often struggle to capture the spatial and temporal relationships present in photovoltaic sensor data. This paper introduces a deep learning model that combines a graph convolutional network with a variational autoencoder to diagnose faults in solar arrays. The graph convolutional network effectively learns from spatial and temporal sensor data, significantly improving fault detection performance. We evaluated the proposed deep learning model on a recently published solar array dataset for an integrated power probability table mode. The experimental results show that the model achieves a fault detection rate exceeding 95% and outperforms the conventional autoencoder models. We also identified faulty components by analyzing the model’s reconstruction error for each feature, and we validated the analysis through the Kolmogorov–Smirnov test and noise injection techniques.
Simulation and Modeling of Data Transmission Process in Boreholes Using Intelligent Drill Pipe for a Laboratory Experiment
Authors: Namuq Mohammed A. , Hasso Ezideen A. , Jamal Mohammed A. , Namuq Koran A. , Yu Yibing
Published: December 2024

Currently, most oil and gas wells are drilled by continuously transmitting downhole measured information (directional and geological information) in real-time to the surface to monitor and steer the well along a pre-defined path. The intelligent drill pipe method can transmit data over longer distances and at a higher rate than other methods, such as mud pulse telemetry, acoustic telemetry, and electromagnetic telemetry. Nevertheless, it is expensive and requires boosters along the drill string. In the available literature, academic research rarely addresses the data transmission process in boreholes using intelligent drill pipes. Furthermore, there is a need for an effective and validated model to study various controllable parameters to enhance the efficiency of the intelligent drill pipe telemetry without the need to develop several physical lab or field prototypes. This paper presents the development of a model based on MATLAB Simulink to simulate the process of data transmission in boreholes utilizing intelligent drill pipes. Laboratory experimental prototype measurements have been used to test the model’s effectiveness. A good correlation is found between the measured lab data and the model’s predictions for the signals transmitted contactless through intelligent drill pipes with a correlation coefficient (R2) above 0.9. This model can enhance data transmission efficiency via intelligent drill pipes, study different concepts, and eliminate the need to develop several unnecessarily expensive and time-consuming physical lab prototypes.
Biotechnological 2-Phenylethanol Production: Recent Developments
Authors: Bernardino Ana R. S. , Torres Cristiana A. V. , Crespo João G. , Reis Maria A. M.
Published: December 2024

2-Phenylethanol (2-PE) is a key flavor compound with a rose-like scent, used in the cosmetics, perfume, home care and food industries. This aroma compound can be obtained naturally from various flowers, however chemical synthesis is the most used route to meet market demand. The increasing interest in natural products has led to the development of more environmentally friendly alternatives for 2-PE production through biotechnological approaches. The most efficient approach involves the biotransformation of L-phenylalanine into 2-PE via the Ehrlich pathway, a process observed in different microorganisms such as yeasts and bacteria. 2-PE produced by this way can be considered as natural. However, due to the toxicity of the aroma to the producing microorganism, low production yields are typically obtained, motivating efforts to develop production processes that can overcome this bottleneck, enhance 2-PE yields and reduce the production costs. This review presents and discusses the latest advances in the bioproduction of 2-PE through microbial fermentation, in terms of producing strains, the optimization of cultivation processes, strategies to mitigate product toxicity, and the use of low value feedstocks. Novel applications for 2-PE are also highlighted.
Correction: Ma et al. Hyaluronic Acid Modified Nanostructured Lipid Carrier for Targeting Delivery of Kaempferol to NSCLC: Preparation, Optimization, Characterization, and Performance Evaluation In Vitro. Molecules 2022, 27, 4553
Authors: Ma Yufei , Liu Jinli , Cui Xinyu , Hou Jiafu , Yu Fengbo , Wang Jinghua , Wang Xiaoxue , Chen Cong , Tong Lei
Published: December 2024

In the original publication [...]
Methylophiopogonanone A Inhibits Ferroptosis in H9c2 Cells: An Experimental and Molecular Simulation Study
Authors: Wang Yanqing , Zhao Xi , Chen Ban , Chen Shaoman , Liang Yongbai , Chen Dongfeng , Li Xican
Published: December 2024

In this study, homoisoflavone methylophiopogonanone A (MOA) was investigated for its inhibitory effect on ferroptosis of H9c2 cells using a set of cellular assays, such as BODIPY-probed and H2DCFDA-probed flow cytometry analyses, cell counting kit-8 analysis (CCK-8), and lactate dehydrogenase (LDH) release analysis. All these cellular assays adopted Fer-1 as the positive control. Subsequently, MOA and Fer-1 were subjected to two antioxidant assays, i.e., 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide radical (PTIO•)-scavenging and 2,2′-azinobis(3-ethylbenzo-thiazoline-6-sulfonic acid radical (ABTS•+)-scavenging. Finally, MOA, along with Fer-1, were systematically analyzed for molecular docking and dynamics simulations using a set of software tools. The experimental results revealed that MOA could inhibit ferroptosis of H9c2 cells but did not effectively scavenge PTIO• and ABTS•+ free radicals. Two molecular simulation methods or algorithms suggested that MOA possessed similar binding affinity and binding free energy (∆Gbind) to Fer-1. Visual analyses indicated various hydrophobic interactions between MOA and one of the seven enzymes, including superoxide dismutase (SOD), dihydroorotate dehydrogenase (DHODH), ferroportin1 (FPN), ferroptosis suppressor protein 1 (FSP1), glutathione peroxidase 4 (GPX4), nicotinamide adenine dinucleotide phosphate (NADPH), and solute carrier family 7 member 11 (SLC7A11). Based on these experimental and molecular simulation results, it is concluded that MOA, a homoisoflavonoid with meta-di-OHs, can inhibit ferroptosis in H9c2 cells. Its inhibitory effect is mainly attributed to the regulation of enzymes rather than direct free radical scavenging. The regulation of enzymes primarily depends on hydrophobic interactions rather than H-bond formation. During the process, flexibility around position 9 allows MOA to adjust to the enzyme binding site. All these findings provide foundational information for developing MOA and its derivatives as potential drugs for myocardial diseases.
Novel Spectrophotometric Method for Robust Detection of Trace Copper and Cobalt in High-Concentration Zinc Solution
Authors: Zhou Fengbo , Wu Bo , Zhou Jianhua
Published: December 2024

In the purification process of zinc hydrometallurgy, the spectra of copper and cobalt seriously overlap in the whole band and are interfered with by the spectra of zinc and nickel, which seriously affects the detection results of copper and cobalt in zinc solutions. Aiming to address the problems of low resolution, serious overlap, and narrow characteristic wavelengths, a novel spectrophotometric method for the robust detection of trace copper and cobalt is proposed. First, the Haar, Db4, Coif3, and Sym3 wavelets are used to carry out the second-order continuous wavelet transform on the spectral signals of copper and cobalt, which improves the resolution of copper and cobalt and eliminates the background interference caused by matrix zinc signals and reagents. Then, the information ratio and separation degree are defined as optimization indexes, a multi-objective optimization model is established with the wavelet decomposition scale as a variable, and the non-inferior solution of multi-objective optimization is solved by the state transition algorithm. Finally, the optimal second-derivative spectra combined with the fine zero-crossing technique are used to establish calibration curves at zero-crossing points for the simultaneous detection of copper and cobalt. The experimental results show that the detection performance of the proposed method is far superior to the partial least squares and Kalman filtering methods. The RMSEPs of copper and cobalt are 0.098 and 0.063, the correlation coefficients are 0.9953 and 0.9971, and the average relative errors of copper and cobalt are 3.77% and 2.85%, making this method suitable for the simultaneous detection of trace copper and cobalt in high-concentration zinc solutions.
Bioactive Potential of Chitosan–Oleic Acid Nanoparticles Loaded with Lemon Peel Essential Oil for Topical Treatment of Vulvovaginal Candidiasis
Authors: Ibrahim Faten M. , Shalaby Eman Samy , Abdelhameed Mohamed F. , El-Akad Radwa H. , Ahmed Kawkab A. , Abdel-Aziz Mohamed S. , El Habbasha El Sayed , Rodrigues Cristina V. , Pintado Manuela
Published: December 2024

The rising incidence of vulvovaginal candidiasis (VVC) has been leading to the development of alternative antifungal therapies. This study aimed to develop a topical chitosan–oleic acid nanoparticle (CH-OA-NP) cream loaded with lemon peel essential oil (LPEO) for VVC treatment. The characterization of the optimal nanoparticle formulation (F4: 10 g/L CH, 2:1 OA/LPEO ratio) showed high encapsulation efficiency, stability, and controlled release. Moreover, it was characterized regarding its particle size, polydispersity index, zeta potential, and chemical/morphological profile. LPEO-related compounds (e.g., eriodictyol) were identified through LC-ESI-QqTOF-HRMS in the cream matrix, suggesting the preservation of LPEO potential bioactivities after formulation. In silico docking of 12 LPEO metabolites revealed that compounds such as citronellic acid exerted inhibitory effects against several inflammation-associated enzymes (e.g., 14-α-Demethylase). In vitro antimicrobial tests demonstrated remarkable activity against Candida albicans, Gram-negative (e.g., Escherichia coli), and Gram-positive (e.g., Staphylococcus aureus) bacteria. In vivo studies in a rat model of VVC revealed significant antifungal, anti-inflammatory, and immunomodulatory effects of the LPEO-CH-OA-NP cream (5% and 10%), leading to reduced MDA, MPO, and IL-1β levels and increased GSH activity. This novel formulation potentially offers a promising alternative therapy for VVC, addressing the current antifungal therapies’ limitations, counteracting drug resistance.
Quality Characteristics and Volatile Components of Chili Oil Prepared from the Combination of Shuanla and Erjingtiao Peppers
Authors: Yang Fang , Yao Simin , Yuan Haibin , Yuan Can , Jia Hongfeng
Published: December 2024

This study aimed to investigate the influence of varying weight ratios of Shuanla and Erjingtiao peppers (10:0, 8:2, 6:4, 5:5, 4:6, 2:8, and 0:10, corresponding to samples PA, PB, PC, PD, PE, PF, and PG, respectively) on the sensory attributes, chromatism, acid values (AVs), peroxide values (POVs), capsaicinoids, and volatile organic compounds (VOCs) of seven chili oil samples. GC–IMS was employed to detect the VOCs of the chili oil samples, which were subsequently analyzed using multivariate statistical methods. The results revealed significant differences in pungency among the samples, with the PA sample exhibiting the strongest pungency. The PG sample demonstrated the highest values for a*, b*, and C*, while the PA sample displayed the highest L* and h*. The AVs of seven samples ranged from 0.490 ± 0.005 to 1.727 ± 0.015 mg/g. The POVs of the chili oil samples, ranging from 0.094 ± 0.000 to 0.127 ± 0.002 g/100 g, were significantly lower than those of extra virgin olive oil, 0.183 ± 0.001 g/100 g. The contents of capsaicinoids ranged from 15.26 ± 0.07 g/kg in the PA sample to 0.38 ± 0.00 g/kg in the PG sample (p < 0.05). Additionally, 56 volatile flavor substances were identified, and 10 key flavor compounds (ROAV ≥ 1) were screened among them. Multivariate data analysis via OPLS-DA indicated that 20 VOCs (VIP > 1) could serve as flavor markers in a clustering heat map to differentiate among the seven chili oil varieties. The findings of this study provide a valuable reference for the promotion of Shuanla and Erjingtiao peppers in chili oil production and the development of specific flavor profiles in chili oil to cater to diverse consumer preferences.
Rational Design of Novel Single-Atom Catalysts of Transition-Metal-Doped 2D AlN Monolayer as Highly Effective Electrocatalysts for Nitrogen Reduction Reaction
Authors: Shen Xiaopeng , Zhang Qinfang
Published: December 2024

The single-atom catalysts (SACs) for the electrocatalytic nitrogen reduction reaction (NRR) have garnered significant attention in recent years. The NRR is regarded as a milder and greener approach to ammonia synthesis. The pursuit of highly efficient and selective electrocatalysts for the NRR continues to garner substantial interest, yet it poses a significant challenge. In this study, we employed density functional theory calculations to investigate the stability and catalytic activity of 29 transition metal atoms loaded on the two-dimensional (2D) AlN monolayer with Al monovacancy (TM@AlN) for the conversion of N2 to NH3. After screening the activity and selectivity of NRR, it was found that Os@AlN exhibited the highest activity for NRR with a very low limiting potential of −0.46 V along the distal pathway. The analysis of the related electronic structure, Bader charge, electron localization function, and PDOS revealed the origin of NRR activity from the perspective of energy and electronic properties. The high activity and selectivity towards the NRR of SACs are closely associated with the Os-3N coordination. Our findings have expanded the scope of designing innovative high-efficiency SACs for NRR.
Adsorption Behaviors of ctDNA and Biological Activities Based on Polyvinyl Alcohol/Polyethylene Glycol/Quaternized Chitosan Composite Hydrogel
Authors: Fu Lili , Liu Kun , Yang Jinyu , Zhao Yuan , Wang Zhijun , Tang Dongxu , Li Yuesheng , Chen Huangqin
Published: December 2024

In this study, a polyvinyl alcohol/polyethylene glycol/hydroxypropyltrimethyl ammonium chloride chitosan (PVA/PEG/HACC) ternary composite hydrogel was synthesized using electron-beam radiation. The materials were thoroughly characterized via Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, Brunauer–Emmett–Teller analysis, gelation fraction tests, and swelling rate tests. Systematic adsorption experiments revealed that the rate of adsorption of calf thymus DNA (ctDNA) by the PVA/PEG/HACC hydrogel reached 89%. The adsorption process followed the Langmuir isotherm and pseudo-second-order kinetic model. This process was mainly characterized by monolayer chemical adsorption, with intraparticle diffusion playing a crucial role. In addition, the process was spontaneous, with higher temperatures enhancing adsorption. The possible adsorption mechanisms included electrostatic interactions, hydrogen bonding, and van der Waals forces. The maximum ctDNA desorption rate was 81.67%. The adsorption rate remained at 71.39% after five adsorption–desorption cycles. The bioactivity of the PVA/PEG/HACC hydrogel was validated by antibacterial, cytotoxicity, and apoptosis tests. The results of this study demonstrated the crucial application potential of adsorbent materials in DNA adsorption and biomedical applications.
Gluten-Free Sweet Potato Flour: Effect of Drying Method and Variety on the Quality and Bioactivity
Authors: Pereira Nelson , Ramos Ana Cristina , Alves Marco , Alves Vítor D. , Roseiro Cristina , Vida Manuela , Moldão Margarida , Abreu Marta
Published: December 2024

Sweet potato (Ipomoea batatas (L.) Lam.) is a nutrient-dense crop rich in fibre, minerals, and antioxidant compounds, including carotenoids and phenolic compounds, such as anthocyanins. Dehydrating sweet potato (SP) for flour production enhances its value and produces shelf-stable, health-promoting food products. This study investigated the effects of hot-air drying (HAD: 75 °C/20 h) and freeze-drying (FD: −41–30 °C/70 h) on the bioactive composition of flours from three SP varieties: Bonita (white-fleshed), Bellevue (orange-fleshed), and NP1648 (purple-fleshed). Key assessments included the total phenolic content (TPC), the total carotenoid content (TCC), and the total anthocyanin content (TAC) and the antioxidant activity (DPPH and FRAP). The results revealed distinct raw materials’ bioactive profiles: Bellevue was rich in TCC (49.3 mg of β-carotene/100 g db), NP1648 showed elevated TAC (27.3 mg of cyanidin-3-glucoside/100 g db), and Bonita exhibited minimal content of bioactive compounds. Both drying methods yielded significant losses of bioactive compounds, with the TPC decreasing by over 60%, while TAC and TCC losses did not exceed 32%, revealing higher stability. Multivariate analysis indicated that the variety significantly influenced the bioactive profiles more than the drying method. The interaction between carotenoids and anthocyanins and the SP fibrous composition likely contributed to their stability during drying, indicating that FD showed no advantages over HAD. The appealing colours and high antioxidant content of Bellevue and NP1648 flours suggest their potential as ingredients for enhancing foods’ bioactivity and sensory acceptance.
Enzyme Catalysis for Sustainable Value Creation Using Renewable Biobased Resources
Authors: Wohlgemuth Roland
Published: December 2024

Enzyme catalysis was traditionally used by various human cultures to create value long before its basic concepts were uncovered. This was achieved by transforming the raw materials available from natural resources into useful products. Tremendous scientific and technological progress has been made globally in understanding what constitutes an enzyme; what reactions enzymes can catalyze; and how to search, develop, apply, and improve enzymes to make desired products. The useful properties of enzymes as nature’s preferred catalysts, such as their high selectivity, diversity, and adaptability, enable their optimal function, whether in single or multiple reactions. Excellent opportunities for the resource-efficient manufacturing of compounds are provided by the actions of enzymes working in reaction cascades and pathways within the same reaction space, like molecular robots along a production line. Enzyme catalysis plays an increasingly prominent role in industrial innovation and responsible production in various areas, such as green and sustainable chemistry and industrial or white biotechnology. Sources of inspiration include current manufacturing or supply chain challenges, the treasure of natural enzymes, and opportunities to engineer tailor-made enzymes. Making the best use of the power of enzyme catalysis is essential for changing how current products are manufactured; how renewable biobased resources can replace fossil-based resources; and improving the safety, health, and environmental aspects of manufacturing processes to support cleaner and more sustainable production.
Optimization of Naringin Extraction, Synthesis of Dihydrochalcone and Its Effects on Reducing Blood Lipid Levels In Vitro
Authors: Yu Xiaolei , Wu Haowei , Zhang Lei , Fei Dongliang
Published: December 2024

Response surface methodology (RSM) was used to optimize the extraction process of naringin. The central component design included three parameters of extraction, namely temperature (X1), solid–liquid ratio (X2), and extraction time (X3). The optimum extraction temperature was 67 °C; the ratio of feed to solvent was 54:1 mL/g, and the extraction time was 2.8 h. According to the best extraction conditions, naringin was processed to verify the accuracy of the model. Five parallel experiments were set up, and a yield of 3.248% naringin was obtained, which was equivalent to the predicted yield of 3.256%. Naringin was purified to obtain naringin-refined products using DM101 macroporous adsorption resin. Naringin dihydrochalcone was synthesized following catalytic hydrogenation of purified naringin. The structures of naringin and naringin dihydrochalcone were determined via Fourier infrared spectrometer and nuclear magnetic resonance spectrometry. In vitro determination of the lipid-lowering activity of naringin dihydrochalcone was also conducted. Further focusing on HepG2 cells, a high cholesterol-induced high-fat HepG2 cell model was established. We measured the effects of different concentrations of naringin dihydrochalcone on intracellular lipids in denatured HepG2 cells and further validated the lipid-lowering effect of naringin at the cellular level. The results showed that naringin dihydrochalcone has a potential application in functional foods for lowering blood lipids.
Effects of Synbiotic Supplementation on Bone and Metabolic Health in Caucasian Postmenopausal Women: Rationale and Design of the OsteoPreP Trial
Authors: Turbić Alisa , Vandenput Liesbeth , Gandham Anoohya , Lorentzon Mattias
Published: December 2024

Background/Objectives: Correction of decreased diversity of the gut microbiome, which is characteristic of menopause, by supplementation with a synbiotic may attenuate or prevent dysbiosis processes and preserve bone mass. We describe the rationale and design of the OsteoPreP trial aimed at evaluating the effects of 12 months of supplementation with a synbiotic on bone and metabolic health in postmenopausal Caucasian women. Methods: This is a randomized, double-blinded, placebo-controlled trial among 160 Caucasian, postmenopausal women with no current diagnosis of osteoporosis or supplementation with pro- or prebiotics, and no medical treatment affecting bone turnover. Dual-energy X-ray absorptiometry scans will be conducted at screening to confirm absence of osteoporosis. The primary outcome is the relative change (%) in total bone mineral density of the distal tibia at 12 months post-treatment between the active and placebo groups, as determined via high-resolution peripheral quantitative computed tomography. Secondary outcomes are the effects on immune system modulation and cognition, gut microbiota composition, and musculoskeletal and metabolic functions, with particular emphasis on blood glucose regulation. Conclusions: The trial will inform on the efficacy and safety of a synbiotic containing both aerobic and anerobic bacterial strains and a prebiotic fiber on reduction in bone loss and on indices of blood glucose regulation. This trial may pave the way for an exciting field of translational research and be the underpinnings of the prevention strategy of osteoporosis and the management of metabolic dysfunction in postmenopausal women. The trial is registered with clinicaltrials.gov (NCT05348694).
Serum Folate Concentrations in Exclusively Breastfed Preterm Infants Who Received No Supplementary Oral Folic Acid After Discharge: A Prospective Cohort Study
Authors: Iglesias-Platas Isabel , Sobczyńska-Malefora Agata , Ponnusamy Vennila , Mahaveer Ajit , Voong Kieran , Nichols Amy , Dockery Karen , Holland Nicky , Mulla Shaveta , Shearer Martin J. , Card David , Hall Lindsay J. , Harrington Dominic J. , Clarke Paul
Published: December 2024

Background/Objectives: Adequate folate intake is required in preterm infants for rapid growth and development, but there is little evidence to back recommendations. We aimed to assess folate status in preterm infants at discharge and in early infancy, according to exposure to folate sources, particularly in those exclusively/predominantly breastfed. Methods: A prospective, multicenter, observational cohort study was conducted in the UK, involving 45 preterm infants <33 weeks’ gestational age (GA) exclusively/predominantly fed human milk when approaching NICU (Neonatal Intensive Care Unit) discharge. Serum folate levels were measured near NICU discharge (T1) and at 2–3 months corrected age (T2). Folate status was categorized per WHO (World Health Organization) guidelines: deficiency (<6.8 nmol/L), possible deficiency (6.8–13.4 nmol/L), normal (13.5–45.3 nmol/L), and elevated (>45.3 nmol/L). Nutritional information on feed and supplements was collected from hospital notes and maternal interviews. Results: Thirty-two infants (71%) received parenteral nutrition. Twelve infants (32%) remained exclusively breastfed at T2. No infant from the whole cohort had a serum folate concentration <13.5 nmol/L at either time point. A proportion of infants had serum folate concentrations >45.3 nmol/L: 14/45 (31%) at T1, 19/37 (42%) at T2, and 7/37 (16%) at both time points. Elevated concentrations were seen particularly in infants who received folic acid supplements or nutrition containing folic acid, such as parenteral nutrition and breastmilk fortifiers. Conclusions: Folate deficiency was not observed in this cohort; folate concentrations were high and in line with those observed in healthy term infants. Further research is needed to assess the high folate concentrations in premature babies and whether they may have any adverse clinical impact.
Visceral Perforation Complicating BRAF/MEK Targeted Therapy of Papillary Thyroid Carcinoma with Anaplastic Areas
Authors: Barry Simon L. , Lynch Emer , Bredin Philip , McWilliams Sebastian , McCarthy Julie , O’Mahony Orla , Feeley Linda , Nugent Killian , Sheahan Patrick , O’Hanlon Deirdre , O’Reilly David , O’Reilly Seamus
Published: December 2024

Anaplastic thyroid cancer (ATC) is considered to be one of the most virulent, treatment-refractory malignancies. Recent molecular insights into the biology of thyroid cancer have transformed ATC management, and BRAF/MEK targeted therapy is now incorporated into guideline-based multidisciplinary care. We report visceral perforation in the setting of an extreme response to such therapy in a patient with ATC. Molecularly targeted therapy afforded a dramatic but life-threatening response to treatment. This report highlights the complexities of care for the patient and treating clinicians.
A Pre-Adoption Assessment of a Collaborative Care Approach to Dental-Fear Treatment
Authors: Daly Kelly A. , Heyman Richard E. , Drew Alison L. , Smith Slep Amy M. , Bubis Rochelle , Lee Jahyung (Jai) , Pearce Victoria V. V. , Jones Racquel , Ruggiero Marissa , Wolff Mark S.
Published: December 2024

Background: With an estimated global prevalence rate of over 30%, dental fear is a ubiquitous public health phenomenon. Dental fear’s adverse effects on patient oral health and quality of life are well established; the stresses and financial repercussions it can pose to providers are increasingly recognized. Although dental fear is highly treatable, a disseminable intervention that satisfies the needs of patients and dental care providers has yet to be realized. Objectives: We sought to understand allied dental professionals’ experiences treating patients with dental fear and their impressions of, and receptivity to, a stepped-care approach, including perceived barriers and facilitators to its adoption. Methods: Thirteen semi-structured focus groups comprising students in (a) current dental hygiene programs and (b) other dental programs, who had prior experience working as licensed dental hygienists or allied professionals (i.e., dental assistants, dental therapists, dental treatment coordinators; N = 49) were conducted. Focus group discussions were recorded, transcribed, and thematically analyzed. Results: Participant responses supported the need for innovation in managing dental fear in practices, and supported hygienists as likely facilitators of any new behavioral approach. Overall, participants were receptive to the idea of a stepped-care treatment approach but identified several factors (e.g., accessibility, costs, treatment credibility) that would need to be addressed for its adoption by patients and dental professionals. Conclusion: A stepped-care approach to dental fear treatment has promise to meet the needs of patients and dental professionals. Potential barriers and facilitators to adoption provide a roadmap for future intervention refinement and efficacy testing.
Exploring the Feasibility of a Bracketing Approach Utilizing Modeling for Development of Long-Acting Injectables for Regulatory Approval—A Case Study Using Levonorgestrel
Authors: Cole Susan , Pertinez Henry , Butler Andrew S. , Kerwash Essam , Bhat Swati , El-Khateeb Eman , Owen Andrew
Published: December 2024

Background: The development of long-acting products of a characterized drug substance is of great interest. It is possible to support the development of these products with available clinical data by matching the exposure to a predefined bracket of a minimal concentration for efficacy and a maximal concentration for safety. This bracketing approach would cut down on the time and cost of new long-acting contraceptive products progressing to market. The current study describes the assessment of the data available to support a bracketing approach to conclude comparable levels of efficacy and safety for a postulated novel long-acting reversible contraceptive (LARC) product of levonorgestrel. Methods: Literature evidence of levonorgestrel efficacy, as quantified by the Pearl Index, was utilized and modeled by incorporating three LARC products for the estimation of a minimal concentration required for efficacy. Further literature was reviewed to quantify the maximal concentration required to ensure product safety. Additionally, a review of the regulatory precedence for the approach was conducted using European and UK databases. Results: There was a reasonable definition of the minimal concentrations for efficacy where the target concentrations of levonorgestrel were in the range of 200–400 pg/mL. Maximum concentrations for safety were less well defined. Although regulatory guidance supports the bracketing approach, there is little precedence for licensing new products based on pharmacokinetic data only, despite much reduced clinical and non-clinical packages being evidenced. Conclusions: Understanding of the exposure response is not currently considered sufficient to support a bracketing approach for a new levonorgestrel product. If additional safety data are established, current regulations may allow for a reduced application package. Additional work is needed to support the approach, and this could utilize the wealth of information in real-world datasets combined with systems models.
Peptide-Purified Anti-N-methyl-D-aspartate Receptor (NMDAR) Autoantibodies Have Inhibitory Effect on Long-Term Synaptic Plasticity
Authors: Day Charlotte , Silva John-Paul , Munro Rebecca , Mullier Brice , André Véronique Marie , Wolff Christian , Stephens Gary J. , Bithell Angela
Published: December 2024

Background/Objectives: Recent studies, typically using patient cerebrospinal fluid (CSF), have suggested that different autoantibodies (Aabs) acting on their respective receptors, may underlie neuropsychiatric disorders. The GluN1 (NR1) subunit of the N-methyl-D-aspartate receptor (NMDAR) has been identified as a target of anti-NMDAR Aabs in a number of central nervous system (CNS) diseases, including encephalitis and autoimmune epilepsy. However, the role or the nature of Aabs responsible for effects on neuronal excitability and synaptic plasticity is yet to be established fully. Methods: Peptide immunisation was used to generate Aabs against selected specific GluN1 extracellular sequences based on patient-derived anti-NMDAR Aabs that have been shown to bind to specific regions within the GluN1 subunit. ‘Protein A’ purification was used to obtain the total IgG, and further peptide purification was used to obtain a greater percentage of NMDAR-target specific IgG Aabs. The binding and specificity of these anti-NMDAR Aabs were determined using a range of methodologies including enzyme-linked immunosorbent assays, immunocytochemistry and immunoblotting. Functional effects were determined using different in vitro electrophysiology techniques: two-electrode voltage-clamps in Xenopus oocytes and measures of long-term potentiation (LTP) in ex vivo hippocampal brain slices using multi-electrode arrays (MEAs). Results: We show that anti-NMDAR Aabs generated from peptide immunisation had specificity for GluN1 immunisation peptides as well as target-specific binding to the native protein. Anti-NMDAR Aabs had no clear effect on isolated NMDARs in an oocyte expression system. However, peptide-purified anti-NMDAR Aabs prevented the induction of LTP at Schaffer collateral-CA1 synapses in ex vivo brain slices, consistent with causing synaptic NMDAR hypofunction at a network level. Conclusions: This work provides a solid basis to address outstanding questions regarding anti-NMDAR Aab mechanisms of action and, potentially, the development of therapies against CNS diseases.
An Azomethine Derivative, BCS3, Targets XIAP and cIAP1/2 to Arrest Breast Cancer Progression Through MDM2-p53 and Bcl-2-Caspase Signaling Modulation
Authors: Acharya Reetuparna , Deb Pran Kishore , Venugopala Katharigatta N. , Pattanayak Shakti Prasad
Published: December 2024

Background: Breast cancer influences more than 2 million women worldwide annually. Since apoptotic dysregulation is a cancer hallmark, targeting apoptotic regulators encompasses strategic drug development for cancer therapy. One such class of apoptotic regulators is inhibitors of apoptosis proteins (IAP) which are a class of E3 ubiquitin ligases that actively function to support cancer growth and survival. Methods: The current study reports design, synthesis, docking analysis (based on binding to IAP-BIR3 domains), anti-proliferative and anti-tumor potential of the azomethine derivative, 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine (BCS3) on breast cancer (in vitro and in vivo) and its possible mechanisms of action. Results: Strong selective cytotoxic activity was observed in MDA-MB-231, MCF-7, and MDA-MB-468 breast cancer cell lines that exhibited IC50 values, 1.554 µM, 5.979 µM, and 6.462 µM, respectively, without affecting normal breast cells, MCF-10A. For the evaluation of the cytotoxic potential of BCS3, immunofluorescence, immunoblotting, and FACS (apoptosis and cell cycle) analyses were conducted. BCS3 antagonized IAPs, thereby causing MDM2-p53 and Bcl-2-Caspase-mediated intrinsic and extrinsic apoptosis. It also modulated p53 expression causing p21-CDK1/cyclin B1-mediated cell cycle arrest at S and G2/M phases. The in vitro findings were consistent with in vivo findings as observed by reduced tumor volume and apoptosis initiation (TUNEL assay) by IAP downregulation. BCS3 also produced potent synergistic effects with doxorubicin on tumor inhibition. Conclusions: Having witnessed the profound anti-proliferative potential of BCS3, the possible adverse effects related to anti-cancer therapy were examined following OECD 407 guidelines which confirmed its systemic safety profile and well tolerability. The results indicate the promising effect of BCS3 as an IAP antagonist for breast cancer therapy with fewer adverse effects.
Vanadium Dioxide-Based Terahertz Metamaterials for Non-Contact Temperature Sensor
Authors: Leng Jin , Gong Yong , Luo Li , Shi Qiwu
Published: December 2024

Temperature sensors play important roles in wide-spreading human activities. The non-contact method of using temperature sensors offers significant advantages but faces challenges in detection precision. In this work, a double-layer asymmetric terahertz (THz) metamaterial combined with phase transition oxide was proposed to realize non-contact temperature sensor with high sensitivity. The metamaterial exhibited band-stop filtering effects in the simulated transmission spectra. Temperature changes induced a reversible phase transition in VO2, resulting in altered conductivity. The numerical results indicated that the S21 parameter increases from −44.33 dB to −4.78 dB at a frequency of 1.22 THz as the conductivity of the VO2 film increases from 10 to 5000 S/m, achieving a modulation depth of 89%. In addition, the 86 nm thick VO2 film underwent a phase transition in the temperature range of 54.93 °C to 66.93 °C, achieving a sensitivity of 1.82 dB/°C for temperature sensing. This work provided great insights into the development of metamaterials based on high-precision temperature measurement.
Theoretical Analysis and Optimization Strategies of Wavefront Errors and Chromatic Aberrations Induced by Optical Coatings
Authors: Gao Yang , Miao Liang , Chen Xin-Dong , Zhang Xin , Mo Cheng-Gang
Published: December 2024

This research addresses the frequently overlooked wavefront errors and chromatic aberrations in optical coatings. It identifies intrinsic phase shifts within the coating system as the primary cause of these aberrations, rather than errors in surface form accuracy. This study investigates the impact of group delay (GD) on wavefront errors in optical coatings. The results reveal that GD contributes significantly to wavefront errors in two cases: when coatings exhibit thickness non-uniformity and when they operate over a wide range of incident angles. At a single incident angle, wavefront errors are only induced when both GD and thickness non-uniformity exist. In the case of a wide range of incident angles, even in the absence of thickness non-uniformity, GD still introduces wavefront errors. This study introduces novel optimization strategies for thin-film components through theoretical derivation, aiming to minimize wavefront errors by optimizing GD.
Pagodane—Solution and Solid-State Vibrational Spectra
Authors: Parker Stewart F. , Mason Hannah E. , Wilson Campbell T. , Jackson Adam J.
Published: December 2024

In the present study, we report infrared and Raman spectra in both solution and the solid state, together with a state-of-the art inelastic neutron scattering spectrum, of the unusual molecule pagodane. Periodic DFT calculations have enabled a complete assignment of all the modes. The isolated molecule has D2h symmetry, which is reduced to Ci in the solid state. However, the preservation of the centre of symmetry means that the selection rules for infrared and Raman spectroscopy are almost unchanged. The exceptions are the D2hAu modes that are forbidden in the isolated molecule but become allowed in the solid state. These have been located in the solid-state spectra.
Molecular Dynamics of CO₂ Stripping Oil on Quartz Surfaces
Authors: Tan Yawen , Zhang Yiqun , Xiong Hao , Tian Shouceng , Wang Fei
Published: December 2024

The CO2-enhanced oil recovery (EOR) technology has the dual significance of enhancing oil recovery and realizing carbon storage in onshore and offshore oil and gas exploitation. This study investigates the adsorption of crude oil components on quartz surfaces and the microscopic mechanisms of CO2 stripping from crude oil using molecular dynamics simulations. A four-component model representing C6H14, benzene, resins, and asphaltenes was constructed to simulate the oil phase, while the quartz surface model was created using Materials Studio. Simulations were conducted under different temperature conditions to understand the distribution and adsorption behavior of crude oil components, as well as the impact of CO2 on the oil film at pressures up to 10 MPa. The results indicate that the resin–asphaltene interactions are significantly weakened at elevated temperatures, affecting the adsorption capacity. Furthermore, CO2 stripping primarily extracts light components such as C6H14 and aromatic hydrocarbons, while heavy components remain in the oil phase. The highest extraction efficiency and expansion effect of CO2 were observed at 35 °C, demonstrating optimal conditions for enhanced oil recovery through CO2 flooding. These findings provide insights into the effective use of CO2 for crude oil extraction and its interactions with oil components on a quartz substrate, which is crucial for optimizing CO2-enhanced oil recovery operations.
Design of CO2 Huff-n-Puff Parameters for Fractured Tight Oil Reservoirs Considering Geomechanical Effects
Authors: Xia Yicun , Xin Xiankang , Yu Gaoming , Wang Yanxin , Lei Zexuan , Zhang Liyuan
Published: December 2024

CO2-Huff-n-Puff (CO2-HnP) is an effective method for improving oil recovery in conventional reservoirs and has been widely applied to tight oil reservoirs. Recently, there has been a series of studies published on the oil increase mechanism and huff-n-puff parameter optimization of CO2-HnP. However, the understanding of the influence of fracture characterization, threshold pressure gradient (TPG), and geomechanical effects on CO2-HnP in fractured tight oil reservoirs is still limited. In this paper, a numerical model based on the embedded discrete fracture model (EDFM) was constructed to investigate the impact of TPG and geomechanical effects on cumulative oil production (COP). The effects of various huff-n-puff parameters, including bottomhole pressure, oil recovery rate, total CO2 injection amount, number of huff-n-puff cycles, timing of production transfer injection, production time, injection time, CO2 injection rate, and soaking time on the COP and oil replacement ratio were also explored in the paper. The results include the following: (1) The TPG and geomechanical effects led to significantly reduced COP. (2) A positive correlation with COP was found for parameters such as timing of production transfer injection and production time, while negative correlations were found for cycles, soaking time, and injection rate. For oil replacement ratio, soaking time and injection rate were positively correlated, while CO2 injection amount and number of cycles showed negative correlation. (3) With a constant injection volume, it is crucial to avoid an excessive number of cycles that reduce COP. On the basis of this parameter optimization, the oil replacement ratio can be enhanced by advancing the production transfer injection, shortening the injection time, and extending the soaking time. The findings can help optimize CO2-HnP strategies to improve oil recovery and economic benefits from the reservoir. This paper provides an effective numerical simulation method for CO2-HnP in fractured tight oil reservoirs, which has certain reference value.
Conceptual Design of Simulation-Based Approach for Robotic Automation Systems: A Case Study of Tray Transporting
Authors: Baek Seunghoon , Lee Seung Hyun , Oh Seung Eel
Published: December 2024

This study investigated the application of robotic automation in food manufacturing, focusing on enhancing tray transporting operations through a simulation-based approach. The findings primarily focused on bakery production but also demonstrate broader applicability to other sectors that involve repetitive and labor-intensive tasks. The researchers analyzed worker fatigue and limited productivity associated with manual tray handling. To evaluate these issues, simulations were conducted for two scenarios (Case A and Case B), applying robotic automation systems at different stages of production. Key performance indicators (throughput and utilization rates) were analyzed to assess improvements in process efficiency and reductions in worker strain. The results showed that robotic automation significantly increased throughput by 83.7% in simpler processes and by 27.1% in more complex ones, highlighting the impact of task complexity on automation effectiveness. Workforce demands decreased and demonstrated the potential of automation to alleviate physical strain in repetitive tasks. Simulations provided insights into workflow optimization, confirming their value as reliable tools for planning and refining automation strategies. The proposed framework offers a flexible and scalable solution for enhancing efficiency and consistency in manufacturing. Future research should apply similar approaches to other industries and explore the integration of human and robotic labor to further optimize safety, productivity, and cost effectiveness.