bluuebunny/crossref_metadata_2025 huggingface dataset:
Finite-Difference Frequency-Domain Scheme for Sound Scattering by a Vortex with Perfectly Matched Layers
Authors: Zhang Yongou , Ling Zhongjian , Du Hao , Zhang Qifan
Published: September 2023

Understanding the effect of vortexes on sound propagation is of great significance in the field of target detection and acoustic imaging. A prediction algorithm of the two-dimensional vortex scattering is realized based on a finite-difference frequency-domain (FDFD) numerical scheme with perfectly matched layers (PML). Firstly, the governing equation for flow–sound interaction is given based on the perturbation theory, and the FDFD program is built. Subsequently, the mesh independence is verified, and the result has a good convergence when the mesh corresponds to over 15 nodes per wavelength. Then, computational parameters of the PML are discussed to achieve better absorbing boundary conditions. Finally, the results of this algorithm are compared with previous literature data. Results show that for different cortex scattering cases, the absorption coefficient should vary linearly with the density of the medium and the incident wave frequency. When the thickness of the PML boundary is greater than 2.5 times the wavelength, the PML boundary can absorb the scattering sound effectively. This provides a reliable algorithm for the numerical study of the effect of vortexes on sound propagation.
HGSOXGB: Hunger-Games-Search-Optimization-Based Framework to Predict the Need for ICU Admission for COVID-19 Patients Using eXtreme Gradient Boosting
Authors: Pinki Farhana Tazmim , Awal Md Abdul , Mumenin Khondoker Mirazul , Hossain Md. Shahadat , Faysal Jabed Al , Rana Rajib , Almuqren Latifah , Ksibi Amel , Samad Md Abdus
Published: September 2023

Millions of people died in the COVID-19 pandemic, which pressured hospitals and healthcare workers into keeping up with the speed and intensity of the outbreak, resulting in a scarcity of ICU beds for COVID-19 patients. Therefore, researchers have developed machine learning (ML) algorithms to assist in identifying patients at increased risk of requiring an ICU bed. However, many of these studies used state-of-the-art ML algorithms with arbitrary or default hyperparameters to control the learning process. Hyperparameter optimization is essential in enhancing the classification effectiveness and ensuring the optimal use of ML algorithms. Therefore, this study utilized an improved Hunger Games Search Optimization (HGSO) algorithm coupled with a robust extreme gradient boosting (XGB) classifier to predict a COVID-19 patient’s need for ICU transfer. To further mitigate the random initialization inherent in HGSO and facilitate an efficient convergence toward optimal solutions, the Metropolis–Hastings (MH) method is proposed for integration with HGSO. In addition, population diversity was reintroduced to effectively escape local optima. To evaluate the efficacy of the MH-based HGSO algorithm, the proposed method was compared with the original HGSO algorithm using the Congress on Evolutionary Computation benchmark function. The analysis revealed that the proposed algorithm converges better than the original method and exhibits statistical significance. Consequently, the proposed algorithm optimizes the XGB hyperparameters to further predict the need for ICU transfer for COVID-19 patients. Various evaluation metrics, including the receiver operating curve (ROC), precision–recall curve, bootstrap ROC, and recall vs. decision boundary, were used to estimate the effectiveness of the proposed HGSOXGB model. The model achieves the highest accuracy of 97.39% and an area under the ROC curve of 99.10% compared with other classifiers. Additionally, the important features that significantly affect the prediction of ICU transfer need using XGB were calculated.
Nutrient Deficiencies Impact on the Cellular and Metabolic Responses of Saxitoxin Producing Alexandrium minutum: A Transcriptomic Perspective
Authors: Akbar Muhamad Afiq , Mohd Yusof Nurul Yuziana , Usup Gires , Ahmad Asmat , Baharum Syarul Nataqain , Bunawan Hamidun
Published: September 2023

Dinoflagellate Alexandrium minutum Halim is commonly associated with harmful algal blooms (HABs) in tropical marine waters due to its saxitoxin production. However, limited information is available regarding the cellular and metabolic changes of A. minutum in nutrient-deficient environments. To fill this gap, our study aimed to investigate the transcriptomic responses of A. minutum under nitrogen and phosphorus deficiency. The induction of nitrogen and phosphorus deficiency resulted in the identification of 1049 and 763 differently expressed genes (DEGs), respectively. Further analysis using gene set enrichment analysis (GSEA) revealed 702 and 1251 enriched gene ontology (GO) terms associated with nitrogen and phosphorus deficiency, respectively. Our results indicate that in laboratory cultures, nitrogen deficiency primarily affects meiosis, carbohydrate catabolism, ammonium assimilation, ion homeostasis, and protein kinase activity. On the other hand, phosphorus deficiency primarily affects the carbon metabolic response, cellular ion transfer, actin-dependent cell movement, signalling pathways, and protein recycling. Our study provides valuable insights into biological processes and genes regulating A. minutum’s response to nutrient deficiencies, furthering our understanding of the ecophysiological response of HABs to environmental change.
Analysis of the Association between Retinal Artery Occlusion and Acute Ischaemic Stroke/ST-Elevation Myocardial Infarction and Risk Factors in Hungarian Patients
Authors: Balla Szabolcs , Vajas Attila , Pásztor Orsolya , Rentka Anikó , Lukucz Balázs , Kasza Márta , Nagy Attila , Fodor Mariann , Nagy Valéria
Published: September 2023

Background and Objectives: We aimed to analyse data on retinal artery occlusion (RAO) patients to explore correlations with acute ischaemic stroke (AIS), ST-elevation myocardial infarction (STEMI), and cardio/cerebrovascular comorbidities. Patients and Methods: Our retrospective cohort study included 169 RAO and 169 age- and gender-matched control patients. We examined the association of AIS, STEMI, and related comorbidities such as hypertension (HT), type 1 and type 2 diabetes (T1DM and T2DM, respectively), hyperlipidaemia, and ischaemic heart disease (IHD) with RAO. We also recorded atrial fibrillation in our RAO patients. Results: Our results demonstrated that RAO patients developed both AIS and STEMI at a significantly higher rate compared to controls (p < 0.001 for both). We also found that RAO patients had a significantly higher prevalence of HT and hyperlipidaemia (p1 = 0.005, p2 < 0.001) compared to controls. Multiple risk factors together significantly increased the odds of developing AIS and STEMI. Conclusions: Our results suggest that through identifying and treating the risk factors for RAO patients, we can reduce the risk of AIS, STEMI, and RAO of the fellow eye. Considering that ophthalmologists are often the first detectors of these cardiovascularly burdened patients, collaboration with colleagues from internal medicine, cardiology, and neurology is essential to achieve secondary prevention.
The Use of Questionnaires in Pain Assessment during Orthodontic Treatments: A Narrative Review
Authors: Vitale Marina Consuelo , Falzinella Chiara , Sfondrini Maria Francesca , Defabianis Patrizia , Scribante Andrea
Published: September 2023

Pain is a complex multidimensional feeling combined with sensorial and emotional features. The majority of patients undergoing orthodontic treatment report various degrees of pain, which is perceived as widely variable between individuals, even when the stimulus is the same. Orthodontic pain is considered the main cause of poor-quality outcomes, patients’ dissatisfaction, and lack of collaboration up to the interruption of therapy. A deep understanding of pain and how it influences a patient’s daily life is fundamental to establishing proper therapeutic procedures and obtaining the correct collaboration. Because of its multifaced and subjective nature, pain is a difficult dimension to measure. The use of questionnaires and their relative rating scales is actually considered the gold standard for pain assessment. Choosing the most appropriate instrument for recording self-reported pain depends on a patient’s age and cognitive abilities. Although several such scales have been proposed, and a lot of them are applied, it remains uncertain which of these tools represents the standard and performs the most precise, universal, and predictable task. This review aims to give an overview of the aspects which describe pain, specifically the pain experienced during orthodontic treatment, the main tool to assess self-perceived pain in a better and more efficient way, the different indications for each of them, and their correlated advantages or disadvantages.
Fatigue Behavior of Cu-Zr Metallic Glasses under Cyclic Loading
Authors: Priezjev Nikolai V.
Published: September 2023

The effect of oscillatory shear deformation on the fatigue life, yielding transition, and flow localization in metallic glasses is investigated using molecular dynamics simulations. We study a well-annealed Cu-Zr amorphous alloy subjected to periodic shear at room temperature. We find that upon loading for hundreds of cycles at strain amplitudes just below a critical value, the potential energy at zero strain remains nearly constant and plastic events are highly localized. By contrast, at strain amplitudes above the critical point, the plastic deformation is gradually accumulated upon continued loading until the yielding transition and the formation of a shear band across the entire system. Interestingly, when the strain amplitude approaches the critical value from above, the number of cycles to failure increases as a power-law function, which is consistent with the previous results on binary Lennard-Jones glasses.
Accuracy of a Simple Microplastics Investigation Method on Sandy Beaches
Authors: Asakura Hiroshi
Published: September 2023

Environmental pollution by microplastics (MPs) has become a growing concern, and not only professional researchers but also the citizenry are needed to understand the pollution situation and to confirm the decreasing trend of MP pollution as a result of the global reduction in plastic use. In this study, the author evaluated the accuracy of a simple method of investigating MPs on sandy beaches that can be conducted even by high school students. In a land survey using simple tools such as a tape measure and cardboard, the maximum coefficient of variation is approximately 1%. Even without heavy liquid, 89% of MPs could be recovered using only seawater. An investigation of MP content by sampling 0.5 cm of the surface layer of sand could explain more than half of the MP content when the sand was sampled to a depth of approximately 50 cm below the surface layer. A method in which the recovered MPs are not visually sorted but floating matter after boiling is considered as MPs is acceptable. If there was no concern about pumice contamination, the overestimation was approximately 1.5 times. Simple laboratory equipment such as buckets, sieves, seawater, hot plates, dryers, and electronic balances could achieve lower limits of quantification of MPs of 13 mg-MPs/m2-sand and 2 mg-MPs/kg-sand.
Identification of the Pigments on the Mural Paintings from an Ancient Chinese Tomb of Tang Dynasty Using Micro-Raman and Scanning Electron Microscopy/Energy Dispersive X-ray Spectroscopy Analysis
Authors: Liu Zhaojun , Xu Wenzhong , Zhang Yongjian , Wang Yingying , Li Jinwei
Published: September 2023

The tomb of Hanxiu, a prime minister of the Tang dynasty who died in 740 CE, was decorated with elaborate mural paintings. The pigments used in the mural paintings were collected from representative colours before a restoration process and analyzed using micro-Raman and scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM-EDS) analysis to characterize the chemical compositions. The results reveal the chromatic palette and the painting technique used in the mural paintings. Most of the pigments are natural mineral pigments similar to those excavated in previous archaeological works, except the yellow pigment is unusual. A rare mineral pigment, vanadinite [Pb5(VO4)3Cl], was employed in a large amount as the yellow pigment. This phenomenon was analyzed and compared with tomb mural paintings from varied periods and locations in ancient China. Notably, the identification of vanadinite via Raman spectra has to be performed carefully and combined with an elemental analysis to avoid misidentification.
Design of Multi-Stage Solvent Extraction Process for Separation of Rare Earth Elements
Authors: Srivastava Vaibhav , Werner Joshua , Honaker Rick
Published: September 2023

Flowsheet design and stage determination for the separation of rare earth elements (REEs) using solvent extraction (SX) is a challenging task because of the chemical similarity of the REEs. Low separation factors between the elements and complex equilibrium chemistry provide unique challenges to designing an efficient flowsheet for the separation of elements. The multi-stage nature of the SX process adds further complexity, making the assessment of products for a proposed design and stage combination difficult. Therefore, to develop a SX flowsheet, it is essential to quantify the performance for various design and separation conditions. This paper attempts to address the challenge by utilizing an equilibrium and process modeling approach. Results from a bench-scale study performed on a 10 g/L rare earth salt mixture were used in studying the extraction/stripping behavior and developing equilibrium models. DEHPA with TBP as a phase modifier was used as an extractant, while hydrochloric acid was utilized as a stripping agent. The results obtained were used in developing extraction/stripping models, which were integrated into a process framework of a SX train in a Matlab/Simulink environment. The models were programmed as a function block routine and used for developing a flowsheet, which was simulated for differing separation and design conditions. To identify optimum stage combinations, a particle swarm optimization (PSO) routine was developed and implemented for each SX train. Recovery and purity of elements of interest were used as objective function criteria. The stage combination leading to the minimization of the objective function was used to identify the optimum stage combination for a series of SX trains to attempt a balance of purity and recovery. The models and optimization method were implemented to separate a feed mixture containing REEs, which indicated that 99.52 and 85.41 percent purity is achievable for Yttrium and Lanthanum separation using 8-12-3 and 10-3-5 stage combination for loading, scrubbing, and striping. The model also indicated difficult separability between neodymium, praseodymium, and cerium.
Study on Asymmetric Vibrational Coherent Magnetic Transitions and Origin of Fluorescence in Symmetric Structures
Authors: Sun Lulu , Li Ning , Ma Ji , Wang Jingang
Published: September 2023

In this work, the physical mechanisms of three highly efficient circularly polarized luminescent materials are introduced. The UV–vis spectra are plotted; the transition properties of their electrons at the excited states are investigated using a combination of the transition density matrix (TDM) and the charge difference density (CDD); combining the distribution of electron clouds, the essence of charge transfer excitation in three structures is explained. The resonance Raman spectrum of the three structures at the S1 and S2 excited states are calculated. The M, M-4 and M, M-5 structures are found to produce novel chirality by electronic circular dichroism (ECD) spectrum, and the reasons for the chirality of the M, M-4 and M, M-5 structures are discussed by analyzing the density of transition electric/magnetic dipole moments (TEDM/TMDMs) in different orientations. Finally, the Raman optical activity (ROA) of M, M-4, and M, M-5 are calculated, and the spectra are plotted. This study will provide guidance for the application of carbon-based nanomaterials in organic electronic devices, solar cells, and optoelectronics.
Plasma Polymerization of Precipitated Silica for Tire Application
Authors: Kim Sunkeun , Dierkes Wilma K. , Blume Anke , Talma Auke , Van Ommen J. Ruud , Courtois Nicolas , Davin Julian , Recker Carla , Schoeffel Julia
Published: September 2023

Pre-treated silica with a plasma-deposited (PD) layer of polymerized precursors was tested concerning its compatibility with Natural Rubber (NR) and its influence on the processing of silica-silane compounds. The modification was performed in a tailor-made plasma reactor. The degree of deposition of the plasma-coated samples was analyzed by ThermoGravimetric Analysis (TGA). In addition, Diffuse Reflectance Infrared Fourier Transform spectroscopy (DRIFTs), X-ray Photoelectron Spectroscopy (XPS), and Transmission Electron Microscopy (TEM) were performed to identify the morphology of the deposited plasma polymer layer on the silica surface. PD silica samples were incorporated into a NR/silica model compound. NR compounds containing untreated silica and in-situ silane-modified silica were taken as references. The silane coupling agent used for the reference compounds was bis-(3-triethoxysilyl-propyl)disulfide (TESPD), and reference compounds with untreated silica having the full amount and 50% of silane were prepared. In addition, 50% of the silane was added to the PD silica-filled compounds in order to verify the hypothesis that additional silane coupling agents can react with silanol groups stemming from the breakdown of the silica clusters during mixing. The acetylene PD silica with 50% reduced silane-filled compounds presented comparable properties to the in-situ silane-modified reference compound containing 100% TESPD. This facilitates processing as lower amounts of volatile organic compounds, such as ethanol, are generated compared to the conventional silica-silane filler systems.
May 1,2-Dithiolane-4-carboxylic Acid and Its Derivatives Serve as a Specific Thioredoxin Reductase 1 Inhibitor?
Authors: Nikitjuka Anna , Krims-Davis Kristaps , Kaņepe-Lapsa Iveta , Ozola Melita , Žalubovskis Raivis
Published: September 2023

Thioredoxin reductase is an essential enzyme that plays a crucial role in maintaining cellular redox homeostasis by catalyzing the reduction of thioredoxin, which is involved in several vital cellular processes. The overexpression of TrxR is often associated with cancer development. A series of 1,2-dithiolane-4-carboxylic acid analogs were obtained to verify the selectivity of 1,2-dithiolane moiety toward TrxR. Asparagusic acid analogs and their bioisoters remain inactive toward TrxR, which proves the inability of the 1,2-dithiolane moiety to serve as a pharmacophore during the interaction with TrxR. It was found that the Michael acceptor functionality-containing analogs exhibit higher inhibitory effects against TrxR compared to other compounds of the series. The most potent representatives exhibited micromolar TrxR1 inhibition activity (IC50 varied from 5.3 to 186.0 μM) and were further examined with in vitro cell-based assays to assess the cytotoxic effects on various cancer cell lines and cell death mechanisms.
The Influence of pH Value on the Microstructure and Properties of Strontium Phosphate Chemical Conversion Coatings on Titanium
Authors: Gu Guochao , Li Yibo , Zuo Kangqing , Xiao Guiyong
Published: September 2023

Strontium (Sr) is a trace element in the human body that can promote bone formation and inhibit bone absorption. A conversion coating of strontium phosphate (Sr-P) on the surface of titanium (Ti) can improve its biological properties and has many potential applications in the fields of dentistry and orthopedics. In the present study, Sr-P coatings with SrHPO4 and Sr3(PO4)2 crystals on Ti are prepared by a phosphate chemical conversion (PCC) treatment and the effect of pH values on the properties of the Sr-P coatings is researched. The results prove that the phase composition, morphology, and corrosion resistance of the coated Ti vary according to the pH values of the PCC solution. The morphology of the conversion deposition on Ti changes from plat-like to cluster-like and then to homogeneous microcrystals as the pH value changes from 2.50 to 3.25. Only discrete SrHPO4 crystals are generated on the substrate at lower pH values, while relatively stable Sr3(PO4)2 and SrHPO4 crystals grow and subsequently form an integrated coating on the Ti as the pH exceeds 2.50. The cross-sectional morphologies and bonding strength of different coatings are also researched. The corrosion resistance of coated Ti improves compared with that of bare Ti because of the Sr-P coatings with a Sr3(PO4)2 phase. In addition, it is indicated that the Sr-P coatings on Ti can improve the adhesion and differentiation of BMSCs.
Drug Delivery and Therapy Strategies for Osteoporosis Intervention
Authors: Ma Mingyang , Zeng Huiling , Yang Pei , Xu Jiabing , Zhang Xingwang , He Wei
Published: September 2023

With the advent of the aging society, osteoporosis (OP) risk increases yearly. Currently, the clinical usage of anti-OP drugs is challenged by recurrent side effects and poor patient compliance, regardless of oral, intravenous, or subcutaneous administration. Properly using a drug delivery system or formulation strategy can achieve targeted drug delivery to the bone, diminish side effects, improve bioavailability, and prolong the in vivo residence time, thus effectively curing osteoporosis. This review expounds on the pathogenesis of OP and the clinical medicaments used for OP intervention, proposes the design approach for anti-OP drug delivery, emphatically discusses emerging novel anti-OP drug delivery systems, and enumerates anti-OP preparations under clinical investigation. Our findings may contribute to engineering anti-OP drug delivery and OP-targeting therapy.
Basic Chemical Composition, Antioxidant Activity and Selected Polyphenolic Compounds Profile in Garlic Leaves and Bulbs Collected at Various Stages of Development
Authors: Skoczylas Joanna , Jędrszczyk Elżbieta , Dziadek Kinga , Dacewicz Ewa , Kopeć Aneta
Published: September 2023

Garlic is commonly used as vegetable or spice and as a herb in folklore as well as traditional medicine in many countries. The current study aimed to compare the chemical composition, antioxidant activity, and the content of selected polyphenolic compounds in cloves as well as leaves of winter garlic plants of the Harnaś and Ornak cultivars, which are of Polish origin. Garlic was grown from cloves for three years (2018–2020) in the experimental field of the University of Agriculture in Krakow, Poland. The research material was harvested on three dates: May; June, unripe garlic plants; and in July, the plant at full maturity. The content of vitamin C in the fresh material was determined. The proximate analysis was determined in the freeze-dried plants of garlic, and the total carbohydrate content was calculated. The antioxidant activity and the content of selected polyphenolic compounds were also determined. Garlic cloves showed a higher content of dry matter, and total carbohydrates than the leaves of garlic plants. On the other hand, in the leaves, a significantly higher content of protein, total fat and ash were observed. Additionally, garlic leaves were characterised by a higher content of vitamin C, total polyphenols, and a higher antioxidant activity than garlic cloves. The leaves of young garlic plants from the May harvest were distinguished by a higher content of these compounds. The dominant phenolic compounds were catechin and epicatechin. The leaves of young plants can be a valuable source of bioactive substances, especially in early spring.
Design and Realization of Ni Clusters in MoS2@Ni/RGO Catalysts for Alkaline Efficient Hydrogen Evolution Reaction
Authors: Xu Haifeng , Liang Nannan , Bai Zhi , Yang Bo , Chen Dongmeng , Tang Huaibao
Published: September 2023

Due to their almost zero relative hydrogen atom adsorption-free energy, MoS2-based materials have received substantial study. However, their poor electronic conductivity and limited number of catalytic active sites hinder their widespread use in hydrogen evolution reactions. On the other hand, metal clusters offer numerous active sites. In this study, by loading Ni metal clusters on MoS2 and combining them with the better electrical conductivity of graphene, the overpotential of the hydrogen evolution reaction was reduced from 165 mV to 92 mV at 10 mA·cm−2. This demonstrates that a successful method for effectively designing water decomposition is the use of synergistic interactions resulting from interfacial electron transfer between MoS2 and Ni metal clusters.
Exploring the Antioxidant Potential of Phenolic Compounds from Winery By-Products by Hydroethanolic Extraction
Authors: Costa Rui Dias , Domínguez-Perles Raúl , Abraão Ana , Gomes Véronique , Gouvinhas Irene , Barros Ana Novo
Published: September 2023

The residues generated in the wine industry (pomace, stems, seeds, wine lees, and grapevine shoots) are a potential source of bioactive compounds that can be used in other industries despite being sometimes underestimated. Different extraction methods using various solvents and extraction conditions are currently being investigated. Due to its natural occurrence in wines, safe behavior, and low toxicity when compared to other organic solvents, ethanol is used as an extracting agent. The aim of this study was to identify the winery by-product from the Região Demarcada do Douro and its corresponding extraction solvents that yields the most favorable results in (poly)phenols content and antioxidant capacity. To achieve this, five different ratios of ethanol: water, namely 0:100, 25:75, 50:50, 75:25, and 100:0 (v/v), for extracting the phenolic compounds were employed. Afterwards, the determination of total phenolic content (TPC), ortho-diphenols content (ODC), and flavonoid content (FC) as well as the antioxidant capacity of the obtained extracts using three different methods was performed. Since the best results of the spectrophotometric assays were obtained mostly with hydroethanolic extracts of stems (50:50, v/v), identification by HPLC-DAD has carried out. It was possible to conclude that the Tinta Roriz variety displayed the highest number of identified (poly)phenols.
Lipase as a Chiral Selector Immobilised on Carboxylated Single-Walled Carbon Nanotubes and Encapsulated in the Organic Polymer Monolithic Capillary for Nano-High Performance Liquid Chromatography Enantioseparation of Racemic Pharmaceuticals
Authors: Fouad Ali , Adly Frady G. , Soltan Moustafa K. , Ghanem Ashraf
Published: September 2023

Herein, we report the preparation of lipase immobilised on single-walled carbon nanotubes (SWCNTs) as an enantioselector for capillary monolithic columns and their application in the chiral separation of racemic pharmaceuticals. The columns were prepared through the encapsulation of functionalised SWCNTs (c-SWCNTs) within an organic monolithic polymer, followed by the immobilisation of lipase over the obtained monolith, over a three-day (L1) and five-day (L2) period. The prepared columns were tested for the enantioselective nano-HPLC separation of 50 racemic drugs. A suitable resolution was achieved for 25 drugs using nano-RP-HPLC conditions for both the L1 and L2 capillaries, while no specific resolution was detected under normal-phase HPLC conditions. The developed c-SWCNT-lipase-based polymeric monolithic capillaries are a promising expansion for separating pharmaceutical enantiomers’ using nano-HPLC.
Two Novel Iboga-Type and an Oxindole Glucuronide Alkaloid from Tabernaemontana peduncularis Disclose Related Biosynthetic Pathways to Tabernaemontana divaricata
Authors: Traxler Florian , Zhang Haoqi , Mahavorasirikul Wiratchanee , Krivanek Katharina , Cai Xiang-Hai , Aiyakool Wichai , Pfeiffer Martin , Brecker Lothar , Schinnerl Johann
Published: September 2023

Phytochemical investigation of the two Tabernaemontana species (Apocynaceae) T. peduncularis Wall. and T. divaricata (L.) R.Br. ex Roem. & Schult. indicated closely related biosynthetic pathways leading to lipophilic and hydrophilic alkaloids. In total, 18 specialized metabolites comprising indole-derived alkaloid aglycones, three oxindole-derived alkaloid glycosides, and two iridoid glucosides could be identified in the studied species. Among the alkaloids, the two Iboga-type alkaloids 3,7-coronaridine isoindolenine, coronaridine 3,4-iminium and a javaniside derivative bearing a glucuronic acid, named javanuronic acid, could be described by spectroscopic and spectrometric methods for the first time. A docking experiment using alpha-fold was performed to generate a protein model of the enzyme 7-deoxyloganetic acid glucosyl transferase. Performed bioassays exhibited a growth reduction of neonate Spodoptera littoralis larvae and reduced cell viability of HepG2 cells of the extracts containing Iboga alkaloids, whilst the javaniside derivatives containing hydrophilic fraction did not show any effects. These findings indicate a high flexibility in the formation of bioactive indole alkaloid aglycones by Tabernaemontana species and also evidence similar accumulation trends in both species as well as indicate that biosynthetic routes leading to oxindole alkaloids like javanisides are more widespread than reported. Furthermore, the incorporation of the three novel compounds into potential biosynthetic pathways is discussed.
Molecular Docking and Molecular Dynamics Studies Reveal the Anticancer Potential of Medicinal-Plant-Derived Lignans as MDM2-P53 Interaction Inhibitors
Authors: Shoaib Tagyedeen H. , Abdelmoniem Nihal , Mukhtar Rua M. , Alqhtani Amal Th. , Alalawi Abdullah L. , Alawaji Razan , Althubyani Mashael S. , Mohamed Shaimaa G. A. , Mohamed Gamal A. , Ibrahim Sabrin R. M. , Hussein Hazem G. A. , Alzain Abdulrahim A.
Published: September 2023

The interaction between the tumor suppressor protein p53 and its negative regulator, the MDM2 oncogenic protein, has gained significant attention in cancer drug discovery. In this study, 120 lignans reported from Ferula sinkiangensis and Justicia procumbens were assessed for docking simulations on the active pocket of the MDM2 crystal structure bound to Nutlin-3a. The docking analysis identified nine compounds with higher docking scores than the co-crystallized reference. Subsequent AMDET profiling revealed satisfactory pharmacokinetic and safety parameters for these natural products. Three compounds, namely, justin A, 6-hydroxy justicidin A, and 6′-hydroxy justicidin B, were selected for further investigation due to their strong binding affinities of −7.526 kcal/mol, −7.438 kcal/mol, and −7.240 kcal/mol, respectively, which surpassed the binding affinity of the reference inhibitor Nutlin-3a (−6.830 kcal/mol). To assess the stability and reliability of the binding of the candidate hits, a molecular dynamics simulation was performed over a duration of 100 ns. Remarkably, the thorough analysis demonstrated that all the hits exhibited stable molecular dynamics profiles. Based on their effective binding to MDM2, favorable pharmacokinetic properties, and molecular dynamics behavior, these compounds represent a promising starting point for further refinement. Nevertheless, it is essential to synthesize the suggested compounds and evaluate their activity through in vitro and in vivo experiments.
Dendritogenic Potential of the Ethanol Extract from Lippia alba Leaves in Rat Cortical Neurons
Authors: Velásquez María Marcela , Lattig María Claudia , Chitiva Luis Carlos , Costa Geison M. , Sutachan Jhon Jairo , Albarracin Sonia Luz
Published: September 2023

A reduced dendritic complexity, especially in regions such as the hippocampus and the prefrontal cortex, has been linked to the pathophysiology of some neuropsychiatric disorders, in which synaptic plasticity and functions such as emotional and cognitive processing are compromised. For this reason, the identification of new therapeutic strategies would be enriched by the search for metabolites that promote structural plasticity. The present study evaluated the dendritogenic potential of the ethanol extract of Lippia alba, an aromatic plant rich in flavonoids and terpenes, which has been widely used in traditional medicine for its presumed analgesic, anxiolytic, and antidepressant potential. An in vitro model of rat cortical neurons was used to determine the kinetics of the plant’s effect at different time intervals. Changes in morphological parameters of the neurons were determined, as well as the dendritic complexity, by Sholl analysis. The extract promotes the outgrowth of dendritic branching in a rapid and sustained fashion, without being cytotoxic to the cells. We found that this effect could be mediated by the phosphatidylinositol 3-kinase pathway, which is involved in mechanisms of neuronal plasticity, differentiation, and survival. The evidence presented in this study provides a basis for further research that, through in vivo models, can delve into the plant’s therapeutic potential.
Thermal, Rheological, Structural and Adhesive Properties of Wheat Starch Gels with Different Potassium Alum Contents
Authors: Zhao Haibo , Zhang Hongbin , Xu Qiang , Zhang Hongdong , Yang Yuliang
Published: September 2023

Wheat starch (WS) is a common adhesive material used in mounting of calligraphy and paintings. Potassium alum (PA) has indeed been used for many centuries to modify the physicochemical properties of starch. Thermal analysis revealed that the presence of PA led to an increase in the gelatinization temperature and enthalpy of the starch gels. The leached amylose and the swelling power of the starch gels exhibited a maximum at the ratio of 100:6.0 (WS:PA, w/w). The rheological properties of starch gels were consistent with changes in the swelling power of starch granules. SEM observations confirmed that the gel structure became more regular, and the holes grew larger with the addition of PA below the ratio of 100:6.0 (WS:PA, w/w). The short-range molecular order in the starch gels was enhanced by the addition of PA, confirmed by FT-IR analysis. Mechanical experiments demonstrated that the binding strength of the starch gels increased with higher PA concentrations and decreased significantly after the aging process. TGA results revealed that PA promoted the acid degradation of starch molecules. This study provides a detailed guide for the preparation of starch-based adhesive and its applications in paper conservation.
Evaluation of the Antioxidant Capacity of Fruit Juices by Two Original Analytical Methods
Authors: Protti Michele , Gualandi Isacco , Zappoli Sergio , Mandrioli Roberto , Mercolini Laura , Tonelli Domenica
Published: September 2023

Two analytical methods previously developed by our groups were employed to estimate the antioxidant capacity of commercial fruit juices. The electrochemical method, which measures the scavenging activity of antioxidants towards OH radicals generated by both hydrogen peroxide photolysis and Fenton’s reaction, is based on the recovery of the cyclic voltametric response of the redox probe Ru(NH3)63+ at a Glassy Carbon electrode modified with a thin film of an insulating polyphenol, in the presence of compounds with antioxidant properties. The values of the antioxidant capacity of the fruit juices are expressed as vitamin C equivalents/L. The chromatographic method is based on the generation of OH radicals via Fenton’s reaction in order to test the inhibition of their formation in the presence of antioxidant compounds by monitoring salicylate aromatic hydroxylation derivatives as markers of •OH production, by means of HPLC coupled to coulometric detection. The results are expressed as the percentage of inhibition of •OH production in the presence of the tested juice compared to the control sample. When OH radicals are produced by Fenton’s reaction, the antioxidant capacity of the juices, estimated by both methods, displays an analogous trend, confirming that they can be considered an alternative for measuring the ability of antioxidants to block OH radical formation.
The Fate of Chlorophylls in Alkali-Treated Green Table Olives: A Review
Authors: Ambra Roberto , Pastore Gianni , Natella Fausta
Published: September 2023

This paper reviews the current knowledge regarding modifications to chlorophylls during the processing of green table olives treated with alkali. Particular attention is given to the pheophytinization reactions (substitution of Mg2+ by 2H+ in the chlorophyll chromophore group) that can take place because of pH and/or temperature changes and the possible sequential substitution of the 2H+ with Cu2+ within the chlorophyll porphyrin ring. These reactions may have a direct impact on the commercial value of olive productions as some naturally forming Cu–chlorophylls complexes (i) are identical to strictly forbidden colorants for table olives (E141) and (ii) have been identified as responsible for the unwelcome appearance of the so-called green staining alteration (characterized by bluish-green zones distributed over the olive skin of the drupes).
In Situ Construction of Near-Infrared Response Hybrid Up-Conversion Photocatalyst for Degrading Organic Dyes and Antibiotics
Authors: Yu Lianqing , Wang Yankun , Su Xinhai , Liu Chong , Xue Kehui , Luo Huihua , Zhang Yaping , Zhu Haifeng
Published: September 2023

Unique nonlinear optical properties for converting low-energy incident light into high-energy radiation enable up-conversion materials to be employed in photocatalytic systems. An efficient near-infrared (NIR) response photocatalyst was successfully fabricated through a facile two-step method to load BiOBr on the Nd3+, Er3+@NaYF4 (NE@NYF) up-conversion material. The NE@NYF can transform NIR into visible and UV light and promote charge–energy transfer in the semiconductor. Consequently, the as-obtained photocatalysts exhibit excellent photodegradation performance for rhodamine B dye (RhB) and tetracycline (TC) organic pollutants. About 98.9% of the RhB was decomposed within 60 min with the 20% NE@NYF-B sample, outperforming the pristine BiOBr (61.9%). In addition, the 20% NE@NYF-B composite could decompose approximately 72.7% of the organic carbon during a 10 h reaction, which was almost two-fold more than that of BiOBr. Meanwhile, a possible charge transfer mechanism is proposed based on the recombination of electron–hole pairs and reactive oxygen species. This work provides a rational hybrid structure photocatalyst for improving photocatalytic performance in the broadband spectrum and provides a new strategy for NIR light utilization.
Palladium Nanoparticles Grafted onto Phytochemical Functionalized Biochar: A Sustainable Nanozyme for Colorimetric Sensing of Glucose and Glutathione
Authors: Banu Aakhila , Antony Arnet Maria , Sasidhar Balappa Somappa , Patil Shivaputra A. , Patil Siddappa A.
Published: September 2023

The devising and development of numerous enzyme mimics, particularly nanoparticles and nanomaterials (nanozymes), have been sparked by the inherent limitations imposed by natural enzymes. Peroxidase is one of the enzymes that is extensively utilized in commercial, medical, and biological applications because of its outstanding substrate selectivity. Herein, we present palladium nanoparticles grafted on Artocarpus heterophyllus (jackfruit) seed-derived biochar (BC-AHE@Pd) as a novel nanozyme to imitate peroxidase activity en route to the rapid and colorimetric detection of H2O2, exploiting o-phenylenediamine as a peroxidase substrate. The biogenically generated BC-AHE@Pd nanocatalyst was synthesized utilizing Artocarpus heterophyllus seed extract as the reducing agent for nanoparticle formation, while the residue became the source for biochar. Various analytical techniques like FT-IR, GC-MS, FE-SEM, EDS, TEM, SAED pattern, p-XRD, and ICP-OES, were used to characterize the BC-AHE@Pd nanocatalyst. The intrinsic peroxidase-like activity of the BC-AHE@Pd nanocatalyst was extended as a prospective nanosensor for the estimation of the biomolecules glucose and glutathione. Moreover, the BC-AHE@Pd nanocatalyst showed recyclability up to three recycles without any significant loss in activity.
The European TauroPace™ Registry
Authors: Vonthein Reinhard , Baldauf Benito , Borov Stefan , Lau Ernest , Giaccardi Marzia , Cemin Roberto , Assadian Ojan , Chévalier Philippe , Bode Kerstin , Bonnemeier Hendrik
Published: September 2023

Background: Cardiac implantable electronic device (CIED) placement comes with certain complications. CIED infection is a severe adverse event related to CIED placement. In randomised controlled trials, the preoperative intravenous administration of antibiotics and the adjunctive use of an antibiotic mesh envelope resulted in significant reduction in infections related to cardiac implantable electronic devices. The adjunctive use of taurolidine for this purpose is relatively novel and not considered in the guidelines. The required evidence may consist of a set of clinical studies. Methods: The European TauroPaceTM registry (ETPR) prospectively evaluates every consecutive invasive procedure involving any CIED with adjunct TauroPace™ use in the contributing centres. As the estimation of the infection rate needs to be defensible, only interventions registered prior to the procedure will be followed-up. The endpoint is a major cardiac implantable electronic device infection according to the novel CIED infection criteria (1). Secondary endpoints comprise all-cause mortality, complications, adverse events of all grades, and major CIED infections during all follow-up examinations. The follow-up times are three months, twelve months, and eventually 36 months, as acute, subacute, and long-term CIED infections are of interest. Results: As the rate of CIED infections is expected to be very low, this registry is a multicentre, international project that will run for several years. Several reports are planned. The analyses will be included in the case number calculations for future randomised controlled trials. Conclusions: The ETPR will accumulate large case numbers to estimate small event rates more precisely; we intend to follow up on participants for years to reveal possible late effects.
Epidemiology of Maternal Nutritional Status and Risk of Adverse Birth Outcomes in Undernourished Mothers with Sickle Cell Disease: A Systematic Review and Meta-Analysis Protocol
Authors: Klein Lauren J. , Ayete-Nyampong John Benaiah , Williams Annette M. , Harding Lori A. , Oppong Samuel A. , Acra Sari , DeBaun Michael R. , Imdad Aamer
Published: September 2023

In pregnancies complicated by sickle cell disease (SCD), the maternal-fetal dyad is at high risk for mortality and morbidity. In healthy pregnancies, maternal nutritional status is a critical factor for the healthy growth and development of the fetus. However, there are no reviews of the current research on the nutritional status of pregnant women with SCD and pregnancy outcomes. First, we aim to assess the burden of malnutrition in pregnant women with SCD. Next, we aim to systematically evaluate if pregnant women with SCD who have poor nutritional status are at increased risk for adverse birth outcomes compared to pregnant women with sickle cell disease and normal nutritional status. We will systematically search multiple electronic databases. Our exposure is pregnant women with SCD and poor nutritional status. The primary outcomes of interest include low birth weight (categorical) and birth weight z-scores (continuous). We will also evaluate maternal and perinatal outcomes as secondary outcomes. We will evaluate the risk of bias and overall certainty of evidence with Risk of Bias in Non-randomized Studies—of Interventions (ROBINS-I), and the overall evidence will be assessed using Grading of Recommendation Assessment, Development, and Evaluation (GRADE) criteria. We will pool findings with a meta-analysis if sufficient homogeneity exists among studies. Findings will be published in a peer-reviewed journal and disseminated to SCD advocacy groups. PROSPERO registration number: CRD42023429412.
Degradative Signaling in ATG7-Deficient Skeletal Muscle Following Cardiotoxin Injury
Authors: Rahman Fasih Ahmad , Campbell Troy , Bloemberg Darin , Chapman Sarah , Quadrilatero Joe
Published: September 2023

Skeletal muscle is a complex tissue comprising multinucleated and post-mitotic cells (i.e., myofibers). Given this, skeletal muscle must maintain a fine balance between growth and degradative signals. A major system regulating the remodeling of skeletal muscle is autophagy, where cellular quality control is mediated by the degradation of damaged cellular components. The accumulation of damaged cellular material can result in elevated apoptotic signaling, which is particularly relevant in skeletal muscle given its post-mitotic nature. Luckily, skeletal muscle possesses the unique ability to regenerate in response to injury. It is unknown whether a relationship between autophagy and apoptotic signaling exists in injured skeletal muscle and how autophagy deficiency influences myofiber apoptosis and regeneration. In the present study, we demonstrate that an initial inducible muscle-specific autophagy deficiency does not alter apoptotic signaling following cardiotoxin injury. This finding is presumably due to the re-establishment of ATG7 levels following injury, which may be attributed to the contribution of a functional Atg7 gene from satellite cells. Furthermore, the re-expression of ATG7 resulted in virtually identical regenerative potential. Overall, our data demonstrate that catastrophic injury may “reset” muscle gene expression via the incorporation of nuclei from satellite cells.
Hybrid Hydrogen Sensor Based on Pd/WO3 Showing Simultaneous Chemiresistive and Gasochromic Response
Authors: Kim Sanghoon , Maeng Bohee , Yang Yijun , Kim Kwanwoo , Jung Daewoong
Published: September 2023

The gasochromism of WO3, wherein the color of the material changes according to the reaction of gas, can immediately allow for the determination of the presence of hydrogen by the naked eye. We have also developed a hybrid hydrogen sensor for WO3, a metal oxide, that can simultaneously utilize its gasochromic response and resistance to hydrogen. Because the proposed sensor has a transparent electrode on a glass substrate, it is a structure that can not only reveal the change in resistance but also more clearly illustrate the gasochromic response. A hybrid sensing demonstration in a hydrogen leak environment was successfully performed to verify a sensor that was capable of utilizing the resistive and gasochromic response of WO3.
Integrating Fluorescent Nanodiamonds into Polymeric Microstructures Fabricated by Two-Photon Polymerization
Authors: Couto Filipe A. , Andrade Marcelo B. , Otuka Adriano J. G. , Pratavieira Sebastião , Muniz Sergio R. , Mendonça Cleber R.
Published: September 2023

Nitrogen-vacancy (NV) and other color centers in diamond have attracted much attention as non-photobleaching quantum emitters and quantum sensors. Since microfabrication in bulk diamonds is technically difficult, embedding nanodiamonds with color centers into designed structures is a way to integrate these quantum emitters into photonic devices. In this study, we demonstrate a method to incorporate fluorescent nanodiamonds into engineered microstructures using two-photon polymerization (2PP). We studied the optimal concentration of nanodiamonds in the photoresist to achieve structures with at least one fluorescent NV center and good structural and optical quality. Fluorescence and Raman spectroscopy measurements were used to confirm the presence and location of the nanodiamonds, while absorbance measurements assessed scattering losses at higher concentrations. Our results show the feasibility of fabricating microstructures embedded within fluorescent nanodiamonds via 2PP for photonics and quantum technology applications.