bluuebunny/crossref_metadata_2025 huggingface dataset:
Estimating Surface EMG Activity of Human Upper Arm Muscles Using InterCriteria Analysis
Authors: Angelova Silvija , Angelova Maria , Raikova Rositsa
Published: January 2024

Electromyography (EMG) is a widely used method for estimating muscle activity and could help in understanding how muscles interact with each other and affect human movement control. To detect muscle interactions during elbow flexion and extension, a recently developed InterCriteria Analysis (ICrA) based on the mathematical formalisms of index matrices and intuitionistic fuzzy sets is applied. ICrA has had numerous implementations in different fields, including biomedicine and quality of life; however, this is the first time the approach has been used for establishing muscle interactions. Six human upper arm large surface muscles or parts of muscles responsible for flexion and extension in shoulder and elbow joints were selected. Surface EMG signals were recorded from four one-joint (pars clavicularis and pars spinata of m. deltoideus [DELcla and DELspi, respectively], m. brachialis [BRA], and m. anconeus [ANC]) and two two-joint (m. biceps brachii [BIC] and m. triceps brachii-caput longum [TRI]) muscles. The outcomes from ten healthy subjects performing flexion and extension movements in the sagittal plane at four speeds with and without additional load are implemented in this study. When ICrA was applied to examine the two different movements, the BIC–BRA muscle interaction was distinguished during flexion. On the other hand, when the ten subjects were observed, four interacting muscle pairs, namely DELcla-DELspi, BIC-TRI, BIC-BRA, and TRI-BRA, were detected. The results obtained after the ICrA application confirmed the expectations that the investigated muscles contribute differently to the human upper arm movements when the flexion and extension velocities are changed, or a load is added.
The Characterization and Cytotoxic Evaluation of Chondrosia reniformis Collagen Isolated from Different Body Parts (Ectosome and Choanosome) Envisaging the Development of Biomaterials
Authors: Rocha Miguel S. , Marques Catarina F. , Carvalho Ana C. , Martins Eva , Ereskovsky Alexander , Reis Rui L. , Silva Tiago H.
Published: January 2024

Chondrosia reniformis is a collagen-rich marine sponge that is considered a sustainable and viable option for producing an alternative to mammalian-origin collagens. However, there is a lack of knowledge regarding the properties of collagen isolated from different sponge parts, namely the outer region, or cortex, (ectosome) and the inner region (choanosome), and how it affects the development of biomaterials. In this study, a brief histological analysis focusing on C. reniformis collagen spatial distribution and a comprehensive comparative analysis between collagen isolated from ectosome and choanosome are presented. The isolated collagen characterization was based on isolation yield, Fourier-transformed infrared spectroscopy (FTIR), circular dichroism (CD), SDS-PAGE, dot blot, and amino acid composition, as well as their cytocompatibility envisaging the development of future biomedical applications. An isolation yield of approximately 20% was similar for both sponge parts, as well as the FTIR, CD, and SDS-PAGE profiles, which demonstrated that both isolated collagens presented a high purity degree and preserved their triple helix and fibrillar conformation. Ectosome collagen had a higher OHpro content and possessed collagen type I and IV, while the choanosome was predominately constituted by collagen type IV. In vitro cytotoxicity assays using the L929 fibroblast cell line displayed a significant cytotoxic effect of choanosome collagen at 2 mg/mL, while ectosome collagen enhanced cell metabolism and proliferation, thus indicating the latter as being more suitable for the development of biomaterials. This research represents a unique comparative study of C. reniformis body parts, serving as a support for further establishing this marine sponge as a promising alternative collagen source for the future development of biomedical applications.
Honoring Prof. Dr. Valentin A. Stonik for His Outstanding Contribution to Marine Natural Product Chemistry on the Occasion of His 80th Birthday
Authors: Dmitrenok Pavel S. , Ivanchina Natalia V. , Kalinin Vladimir I.
Published: January 2024

Marine natural products are a very structurally diverse group of preferably low-weight organic molecules [...]
Astaxanthin Inhibits H2O2-Induced Excessive Mitophagy and Apoptosis in SH-SY5Y Cells by Regulation of Akt/mTOR Activation
Authors: Yan Tingting , Ding Feng , Zhang Yiting , Wang Yalin , Wang Yinuo , Zhang Yuanqingzhi , Zhu Feiyu , Zhang Guanghan , Zheng Xinyi , Jia Guangyin , Zhou Feng , Zhao Yu , Zhao Yan
Published: January 2024

Oxidative stress, which damages cellular components and causes mitochondrial dysfunction, occurs in a variety of human diseases, including neurological disorders. The clearance of damaged mitochondria via mitophagy maintains the normal function of mitochondria and facilitates cell survival. Astaxanthin is an antioxidant known to have neuroprotective effects, but the underlying mechanisms remain unclear. This study demonstrated that astaxanthin inhibited H2O2-induced apoptosis in SH-SY5Y cells by ameliorating mitochondrial damage and enhancing cell survival. H2O2 treatment significantly reduced the levels of activated Akt and mTOR and induced mitophagy, while pretreatment with astaxanthin prevented H2O2-induced inhibition of Akt and mTOR and attenuated H2O2-induced mitophagy. Moreover, the inhibition of Akt attenuated the protective effect of astaxanthin against H2O2-induced cytotoxicity. Taken together, astaxanthin might inhibit H2O2-induced apoptosis by protecting mitochondrial function and reducing mitophagy. The results also indicate that the Akt/mTOR signaling pathway was critical for the protection of astaxanthin against H2O2-induced cytotoxicity. The results from the present study suggest that astaxanthin can reduce neuronal oxidative injury and may have the potential to be used for preventing neurotoxicity associated with neurodegenerative diseases.
Membrane Separation of Chicken Byproduct Hydrolysate for Up-Concentration of Bioactive Peptides
Authors: Dibdiakova Janka , Matic Josipa , Wubshet Sileshi Gizachew , Uhl Wolfgang , Manamperuma Lelum Duminda , Rusten Bjørn , Vik Eilen Arctander
Published: January 2024

Membrane processes, such as microfiltration, ultrafiltration, and nanofiltration, are increasingly used for various applications in both upstream and downstream processing. Membrane-based processes play a critical role in the field of separation/purification of biotechnological products, including protein production/purification. The possibility of using membranes to separate peptides from a chicken byproduct hydrolysate and the effect of the performed downstream processing on the DPP-IV dipeptidyl peptidase IV (DPP-IV) inhibitory activity of mechanical deboning chicken residue (MDCR) has been investigated. The chicken byproduct hydrolysate was prepared by enzymatic hydrolysis followed by microfiltration (MF), ultrafiltration (UF), nanofiltration (NF), and reverse osmosis (RO) separation. Comparing all separation treatments, hydrolysates processed only by MF and UF show the best DPP-IV inhibition (59.5–60.0% at 1 mg/mL and 34.2–40.7% at 0.5 mg/mL). These samples show dose-responsive behavior. Bioactivity was correlated with molecular weight distribution profiles and average molecular weights. The nanofiltration process notably decrease the inhibitory activity, and these permeates show low DPP-IV inhibition (9.5–21.8% at 1 mg/mL and 3.6–12.1% at 0.5 mg/mL). The size-exclusion chromatography–organic carbon detection–organic nitrogen detection (LC–OCD–OND) analysis confirms that NF and RO would retain the bioactive peptides in the concentrate in comparison to MF and UF. Bioactivity was correlated with molecular weight distribution profiles and average molecular weights. Permeates after ultrafiltration show an IC50 value of 0.75 mg/mL, comparable to other potent DPP-IV inhibitors derived from various food sources, and significantly more potent compared to the microfiltration sample, which shows an IC50 value of 1.04 mg/mL. The average molecular weight of the permeates calculated from the SEC chromatograms was 883 g/mol for UF and 1437 g/mol for MF. Of the four membranes studied, the UF membrane shows the best separation properties with respect to maximizing the yield and up-concentration of the bioactive peptides. Overall, UF was demonstrated to be a feasible technology for the removal of the undesired high-molecular-weight substances and up-concentration of small-molecular-weight bioactive peptides from chicken byproduct hydrolysate. These peptides might exhibit biological activity and could offer several health benefits. There is a high potential for the use of bioactive peptides, and more research in this field can lead to promising results that have significant effects in the food and medical industries.
Simultaneous Wastewater Treatment and Resources Recovery by Forward Osmosis Coupled with Microbial Fuel Cell: A Review
Authors: Zhang Hengliang , Duan Liang , Li Shilong , Gao Qiusheng , Li Mingyue , Xing Fei , Zhao Yang
Published: January 2024

Osmotic microbial fuel cells (OsMFCs) with the abilities to simultaneously treat wastewater, produce clean water, and electricity provided a novel approach for the application of microbial fuel cell (MFC) and forward osmosis (FO). This synergistic merging of functions significantly improved the performances of OsMFCs. Nonetheless, despite their promising potential, OsMFCs currently receive inadequate attention in wastewater treatment, water reclamation, and energy recovery. In this review, we delved into the cooperation mechanisms between the MFC and the FO. MFC facilitates the FO process by promoting water flux, reducing reverse solute flux (RSF), and degrading contaminants in the feed solution (FS). Moreover, the water flux based on the FO principle contributed to MFC’s electricity generation capability. Furthermore, we summarized the potential roles of OsMFCs in resource recovery, including nutrient, energy, and water recovery, and identified the key factors, such as configurations, FO membranes, and draw solutions (DS). We prospected the practical applications of OsMFCs in the future, including their capabilities to remove emerging pollutants. Finally, we also highlighted the existing challenges in membrane fouling, system expansion, and RSF. We hope this review serves as a useful guide for the practical implementation of OsMFCs.
Toward Remote Detection of Chemical Warfare Simulants Using a Miniature Potentiostat
Authors: Dawoud Amer , Mia Rashid , Motchaalangaram Jesy Alka , Miao Wujian , Wallace Karl
Published: January 2024

A miniaturized electrochemical sensor was developed for the remote detection of chemical warfare agent (CWA) simulants. To facilitate drone-based remote sensing, this present study focuses on advancing the miniaturized and compact electrochemical sensor for monitoring two CWA simulants, diisopropyl fluorophosphate (DFP) and O,S-diethylmethylphosphonothioate (O,S-DEMPT). The differential pulse voltammetry (DPV) signal was processed, and the DPV signature features were extracted on the basis of the redox properties associated with the absence and the presence of DFP and O,S-DEMPT. Upon the addition of 0.10 equivalence of DFP or O,S-DEMPT, a shift in potential (E) of ~0.13 V was recorded. The limit of detection (LOD) was calculated to be 0.25 µM (0.046 ppm) and 0.10 µM (0.017 ppm) for DFP and O,S-DEMPT, respectively. These results were validated using a portable Palmsens Emstat HR potentiostat, which corroborated the results obtained using a lab benchtop potentiostat. Additionally, Boolean logic (“AND” operation) was implemented for future drone technology deployment. This advancement enables the fabrication of a networked device capable of autonomously executing tasks without constant oversight.
A Role for Secondary Metabolites in Desiccation Tolerance in Lichens
Authors: Ndhlovu Nqobile Truelove , Minibayeva Farida , Beckett Richard Peter
Published: January 2024

In lichens, secondary metabolites have been shown to protect against biotic stresses such as pathogen attacks and grazing, and abiotic stresses such as ultraviolet (UV) and high photosynthetically active radiation (PAR). Lichen secondary metabolites are known to have strong antioxidant activity, and while theoretically they may have roles in tolerance to other abiotic stresses, these roles remain largely unclear. Here, we used the acetone rinsing method to harmlessly remove most of the secondary metabolites from the thalli of six lichen species. This enabled us to compare the effects of desiccation on thalli with and without the presence of secondary metabolites. Results showed that in general, the presence of lichen substances reduces the effects of desiccation stress. For all species, substances significantly improved the photosystem two (PSII) activity of the photobiont during either desiccation or rehydration. In the mycobiont, in four of the six species, the presence of substances reduced membrane damage, which was assessed by measuring ion leakage during rehydration following desiccation. However, in one species, secondary metabolites had no effect, while in another the presence of substances increased membrane damage. Nevertheless, it seems clear that in addition to their more established roles in protecting lichens against pathogen attacks and grazing, lichen substances can also play a role in aiding desiccation tolerance.
Chemical Composition of the Essential Oils of the Iberian Peninsula Endemic Species Eryngium dilatatum Lam.
Authors: Palá-Paúl Jesús , Pérez-Alonso María José , Soria Ana C. , Brophy Joseph J.
Published: January 2024

Eryngium dilatatum Lam. is a thorny Iberian Peninsula endemic species belonging to the Apiaceae family that has not been previously analysed from a chemical point of view. Following our studies on this genus, we characterized the chemical composition of the essential oils from the different parts (inflorescences, stems + leaves, and roots) of this species; these parts were gathered in Cádiz (Spain). The specimens were collected in July during the flowering period and air-dried before the oil extraction by hydro-distillation. The essential oils were analysed by gas chromatography and gas chromatography coupled with mass spectrometry. The different parts of the plant yielded low amounts of pale yellow oil, with the roots being the fraction that provided the lowest amount of oil. The chemical characterization of the essential oils showed qualitative and quantitative differences between the fractions examined, but all of them showed the same principal compound, germacrene D (9.1–46.5%). Similarly, all the fractions shared most of their representative constituents, with their percentage compositions being different from one sample to the other: α-cadinol (3.8%), bicyclogermacrene (3.5%), octanal (3.1%), and spathulenol (2.5%) were found in the inflorescences; octanal (8.1%), α-cadinol (3.7%), δ-cadinene (3.6%), (E)-caryophyllene (2.6%), bicyclogermacrene (2.5%), and spathulenol (2.4%) were found in the stems and leaves; and spathulenol (4.6%), α-cadinol (4.4%), khusinol (3.2%), α-muurolol (3.1%), and δ-cadinene (2.6%) were found in the roots. As far as we know, this is the first report about the chemical composition of this endemic species of the Iberian Peninsula. It contributes to the knowledge of this species and to the genus to which it belongs. This species could be considered as a natural source of germacrene D, which is a sesquiterpene hydrocarbon with active properties.
A High-Throughput NMR Method for Lipoprotein-X Quantification
Authors: Garcia Erwin , Shalaurova Irina , Matyus Steven P. , Freeman Lita A. , Neufeld Edward B. , Sampson Maureen L. , Zubirán Rafael , Wolska Anna , Remaley Alan T. , Otvos James D. , Connelly Margery A.
Published: January 2024

Lipoprotein X (LP-X) is an abnormal cholesterol-rich lipoprotein particle that accumulates in patients with cholestatic liver disease and familial lecithin–cholesterol acyltransferase deficiency (FLD). Because there are no high-throughput diagnostic tests for its detection, a proton nuclear magnetic resonance (NMR) spectroscopy-based method was developed for use on a clinical NMR analyzer commonly used for the quantification of lipoproteins and other cardiovascular biomarkers. The LP-X assay was linear from 89 to 1615 mg/dL (cholesterol units) and had a functional sensitivity of 44 mg/dL. The intra-assay coefficient of variation (CV) varied between 1.8 and 11.8%, depending on the value of LP-X, whereas the inter-assay CV varied between 1.5 and 15.4%. The assay showed no interference with bilirubin levels up to 317 mg/dL and was also unaffected by hemolysis for hemoglobin values up to 216 mg/dL. Samples were stable when stored for up to 6 days at 4 °C but were not stable when frozen. In a large general population cohort (n = 277,000), LP-X was detected in only 50 subjects. The majority of LP-X positive cases had liver disease (64%), and in seven cases, had genetic FLD (14%). In summary, we describe a new NMR-based assay for LP-X, which can be readily implemented for routine clinical laboratory testing.
Porous Organic Materials in Tissue Engineering: Recent Advances and Applications for Severed Facial Nerve Injury Repair
Authors: Sun Jingxuan , Cao Wenxin , Pan Shuang , He Lina , Ji Dongchao , Zheng Nannan , Sun Xiangyu , Wang Ranxu , Niu Yumei
Published: January 2024

The prevalence of facial nerve injury is substantial, and the restoration of its structure and function remains a significant challenge. Autologous nerve transplantation is a common treatment for severed facial nerve injury; however, it has great limitations. Therefore, there is an urgent need for clinical repair methods that can rival it. Tissue engineering nerve conduits are usually composed of scaffolds, cells and neurofactors. Tissue engineering is regarded as a promising method for facial nerve regeneration. Among different factors, the porous nerve conduit made of organic materials, which has high porosity and biocompatibility, plays an indispensable role. This review introduces facial nerve injury and the existing treatment methods and discusses the necessity of the application of porous nerve conduit. We focus on the application of porous organic polymer materials from production technology and material classification and summarize the necessity and research progress of these in repairing severed facial nerve injury, which is relatively rare in the existing articles. This review provides a theoretical basis for further research into and clinical interventions on facial nerve injury and has certain guiding significance for the development of new materials.
Phenolic Compounds from Apples: From Natural Fruits to the Beneficial Effects in the Digestive System
Authors: Jakobek Lidija , Matić Petra
Published: January 2024

Conditions in the gastrointestinal tract and microbial metabolism lead to biotransformation of parent, native phenolic compounds from apples into different chemical forms. The aim of this work was to review current knowledge about the forms of phenolic compounds from apples in the gastrointestinal tract and to connect it to their potential beneficial effects, including the mitigation of health problems of the digestive tract. Phenolic compounds from apples are found in the gastrointestinal tract in a variety of forms: native (flavan-3-ols, phenolic acids, flavonols, dihydrochalcones, and anthocyanins), degradation products, various metabolites, and catabolites. Native forms can show beneficial effects in the stomach and small intestine and during the beginning phase of digestion in the colon. Different products of degradation and phase II metabolites can be found in the small intestine and colon, while catabolites might be important for bioactivities in the colon. Most studies connect beneficial effects for different described health problems to the whole apple or to the amount of all phenolic compounds from apples. This expresses the influence of all native polyphenols from apples on beneficial effects. However, further studies of the peculiar compounds resulting from native phenols and their effects on the various parts of the digestive tract could provide a better understanding of the specific derivatives with bioactivity in humans.
Visible Light-Promoted Oxidative Cross-Coupling of Alcohols to Esters
Authors: Dellisanti Andrea , Chessa Elisa , Porcheddu Andrea , Carraro Massimo , Pisano Luisa , De Luca Lidia , Gaspa Silvia
Published: January 2024

Ester is one of the most significant functional groups in organic chemistry and is enclosed in several valued molecules. Usually, esters are prepared through the acid-catalyzed esterification reaction of carboxylic acids with alcohols, transesterification of esters with alcohols, or via activation of carboxylic acids followed by the addition of alcohols. However, these procedures typically imply the excess use of reactants and harsh reaction conditions. Visible light-mediated photoreactions have been disclosed to display a safe, sustainable, and accessible alternative to traditional methods, and to lead new reactivity modes in organic procedures. In this context, we propose a transition metal-based and organic-based photocatalyst-free synthesis of esters from alcohols induced by visible light. The methodology can be carried out using sunlight or artificial visible light as a solar simulator or a blue LED source.
Theoretical Study of the NO Reduction Mechanism on Biochar Surfaces Modified by Li and Na Single Adsorption and OH Co-Adsorption
Authors: Su Qiong , Ren Fang , Lu Mengmeng , Zhao Jinqin , Zhu Xingchen , Shen Tao , Shen Yan , Wang Yanbin , Liang Junxi
Published: January 2024

Theoretical and experimental investigations have shown that biochar, following KOH activation, enhances the efficiency of NO removal. Similarly, NaOH activation also improves NO removal efficiency, although the underlying mechanism remains unclear. In this study, zigzag configurations were employed as biochar models. Density functional theory (DFT) was utilized to examine how Li and Na single adsorption and OH co-adsorption affect the reaction pathways of NO reduction on the biochar surface. The rate constants for all reaction-determining steps (RDSs) within a temperature range of 200 to 1000 K were calculated using conventional transition state theory (TST). The results indicate a decrease in the activation energy for NO reduction reactions on biochar when activated by Li and Na adsorption, thus highlighting their beneficial role in NO reduction. Compared to the case with Na activation, Li-activated biochar exhibited superior performance in terms of the NO elimination rate. Furthermore, upon the adsorption of the OH functional group onto the Li-decorated and Na-decorated biochar models (LiOH-decorated and NaOH-decorated chars), the RDS energy barriers were higher than those of Li and Na single adsorption but easily overcome, suggesting effective NO reduction. In conclusion, Li-decorated biochar showed the highest reactivity due to its low RDS barrier and exothermic reaction on the surface.
A Turn-On Fluorescent Probe for Highly Selective Detection and Visualization of Hydrogen Sulfide in Fungi
Authors: Yan Qingsong , He Shengui , Feng Lei , Zhang Ming , Han Chaoyan , Wu Yuzhuo , Wang Chao , Ma Xiaochi , Ma Tonghui
Published: January 2024

Hydrogen sulfide (H2S) is a significant actor in the virulence and pathogenicity of fungi. The analysis of endogenous H2S in fungi benefits the prevention and treatment of pathogenic infections. Herein, a H2S-activated turn-on fluorescent probe named DDX-DNP was developed for the sensitive and selective detection of H2S. Using DDX-DNP, the ability of several oral fungi strains to produce H2S was identified, which was also validated using a typical chromogenic medium. In addition, DDX-DNP was successfully used for the visual sensing of endogenous H2S in fungal cells via microscope, flow cytometry, and colony imaging, along with a specific validation with the co-incubation of H2S production inhibitors in living cells. Above all, DDX-DNP could be used for H2S detection, the fluorescent imaging of fungi, and even the identification of related fungi.
Electrochemical Water Oxidation and CO2 Reduction with a Nickel Molecular Catalyst
Authors: Jian Hengxin , Lu Mengyu , Zheng Haowen , Yan Shengrui , Wang Mei
Published: January 2024

Mimicking the photosynthesis of green plants to combine water oxidation with CO2 reduction is of great significance for solving energy and environmental crises. In this context, a trinuclear nickel complex, [NiII3(paoH)6(PhPO3)2]·2ClO4 (1), with a novel structure has been constructed with PhPO32− (phenylphosphonate) and paoH (2-pyridine formaldehyde oxime) ligands and possesses a reflection symmetry with a mirror plane revealed by single-crystal X-ray diffraction. Bulk electrocatalysis demonstrates that complex 1 can homogeneously catalyze water oxidation and CO2 reduction simultaneously. It can catalyze water oxidation at a near-neutral condition of pH = 7.45 with a high TOF of 12.2 s−1, and the Faraday efficiency is as high as 95%. Meanwhile, it also exhibits high electrocatalytic activity for CO2 reduction towards CO with a TOF of 7.84 s−1 in DMF solution. The excellent electrocatalytic performance of the water oxidation and CO2 reduction of complex 1 could be attributed to the two unique µ3-PhPO32− bridges as the crucial factor for stabilizing the trinuclear molecule as well as the proton transformation during the catalytic process, while the oxime groups modulate the electronic structure of the metal centers via π back-bonding. Therefore, apart from the cooperation effect of the three Ni centers for catalysis, simultaneously, the two kinds of ligands in complex 1 can also synergistically coordinate the central metal, thereby significantly promoting its catalytic performance. Complex 1 represents the first nickel molecular electrocatalyst for both water oxidation and CO2 reduction. The findings in this work open an avenue for designing efficient molecular electrocatalysts with peculiar ligands.
What Are We Eating? Surveying the Presence of Toxic Molecules in the Food Supply Chain Using Chromatographic Approaches
Authors: Casado Natalia , Berenguer Cristina V. , Câmara José S. , Pereira Jorge A. M.
Published: January 2024

Consumers in developed and Western European countries are becoming more aware of the impact of food on their health, and they demand clear, transparent, and reliable information from the food industry about the products they consume. They recognise that food safety risks are often due to the unexpected presence of contaminants throughout the food supply chain. Among these, mycotoxins produced by food-infecting fungi, endogenous toxins from certain plants and organisms, pesticides, and other drugs used excessively during farming and food production, which lead to their contamination and accumulation in foodstuffs, are the main causes of concern. In this context, the goals of this review are to provide a comprehensive overview of the presence of toxic molecules reported in foodstuffs since 2020 through the Rapid Alert System for Food and Feed (RASFF) portal and use chromatography to address this challenge. Overall, natural toxins, environmental pollutants, and food-processing contaminants are the most frequently reported toxic molecules, and liquid chromatography and gas chromatography are the most reliable approaches for their control. However, faster, simpler, and more powerful analytical procedures are necessary to cope with the growing pressures on the food chain supply.
Theoretical Investigation of Iridium Complex with Aggregation-Induced Emission Properties
Authors: Lodowski Piotr , Jaworska Maria
Published: January 2024

The mechanism of aggregation-induced emission (AIE) for the bis(1-(2,4-difluorophenyl)-1H-pyrazole)(2-(20-hydroxyphenyl)-2-oxazoline)iridium(III) complex, denoted as Ir(dfppz)2(oz), was investigated with use DFT and the TD-DFT level of theory. The mechanism of radiationless deactivation of the triplet state was elucidated. Such a mechanism requires an additional, photophysical triplet channel of the internal conversion (IC) type, which is activated as a result of intramolecular motion deforming the structure of the oz ligand and distorting the iridium coordination sphere. Formally, the rotational movement of the oxazoline relative to the C–C bond in the oz ligand is the main active coordinate that leads to the opening of the triplet channel. The rotation of the oxazoline group and the elongation of the Ir-Nox bond cause a transition between the luminescent, low-lying triplet state with a d/π→π* characteristic (T1(eq)), and the radiationless d→d triplet state (T1(Ir)). This transition is made possible by the low energy barrier, which, based on calculations, was estimated at approximately 8.5 kcal/mol. Dimerization, or generally aggregation of the complex molecules, blocks the intramolecular movement in the ligand and is responsible for a strong increase in the energy barrier for the T1(eq)⇝T1(Ir) conversion of triplet states. Thus, the aggregation phenomenon blocks the nonradiative deactivation channel of the excited states and, consequently, contributes to directing the photophysical process toward phosphorescence. The mechanism involved in locking the nonradiative triplet path can be called restricted access to singlet–triplet crossing (RASTC).
Quantitation of Lupinus spp. Quinolizidine Alkaloids by qNMR and Accelerated Debittering with a Resin-Based Protocol
Authors: Madelou Nikoleta Anna , Melliou Eleni , Magiatis Prokopios
Published: January 2024

Quinolizidine alkaloids (QAs) are toxic secondary metabolites of the Lupinus species, the presence of which limits the expansion of lupin beans consumption, despite their high protein content. Evaluation of the level of alkaloids in edible Lupinus species is crucial from a food safety point of view. However, quantitation of QAs is complicated by the fact that not all important alkaloids used for quantitation are commercially available. In this context, we developed a method for the simultaneous quantitation of eight major lupin alkaloids using quantitative NMR spectroscopy (qNMR). Quantitation and analysis were performed in 15 different seed extracts of 11 Lupinus spp. some of which belonged to the same species, with different geographical origins and time of harvest, as well as in all aerial parts of L. pilosus. The mature seeds of L. pilosus were found to be a uniquely rich source of multiflorine. Additionally, we developed a protocol using adsorption or ionic resins for easy, fast, and efficient debittering of the lupine seeds. The protocol was applied to L. albus, leading to a decrease of the time required for alkaloids removal as well as water consumption and to a method for QA isolation from the debittering wastewater.
An Ultra-High-Performance Liquid Chromatography Coupled with Tandem Mass Spectrometry Method with Online Solid-Phase Extraction Sample Preparation for the High-Throughput and Sensitive Determination of Ostarine in Human Urine
Authors: Slíž Kristián , Piešťanský Juraj , Mikuš Peter
Published: January 2024

Ostarine is frequently misused as a selective androgen receptor modulator (SARM) in sports. Consequently, there is a pressing need for reliable and simple approaches to monitor its presence in biological systems. In this work, we developed a two-dimensional analytical method utilizing online solid-phase extraction (online-SPE) in conjunction with ultra-high-performance liquid chromatography and tandem mass spectrometry (triple quadrupole). This automated 2D separation approach is characterized by minimum manual steps in the sample preparation (only dilute-and-shoot), reflecting high sample throughput and the reliability of analytical data. It provides favorable performance parameters, including a limit of detection of 0.5 pg/mL, high accuracy (relative error = 1.6–7.5%), precision (relative standard deviation = 0.8–4.5%), and sensitivity. Additionally, it demonstrates excellent linearity (r2 = 0.9999) in the calibration range of 0.05 to 25 ng/mL and robustness, with no carryover effects observed. This comparative study revealed a two-decadic-order-lower LOD of the SPE-UHPLC-MS/MS method to the corresponding UHPLC-MS/MS method and the lowest one in the group of currently published LC-MS methods. The World Anti-Doping Agency screening and confirmation criteria were met through the analysis of spiked urine samples from ten healthy volunteers. Accordingly, the proposed method is suitable for routine use in antidoping laboratories.
Interfacial Properties of Anisotropic Monolayer SiAs Transistors
Authors: Zou Feihu , Cong Yao , Song Weiqi , Liu Haosong , Li Yanan , Zhu Yifan , Zhao Yue , Pan Yuanyuan , Li Qiang
Published: January 2024

The newly prepared monolayer (ML) SiAs is expected to be a candidate channel material for next-generation nano-electronic devices in virtue of its proper bandgap, high carrier mobility, and anisotropic properties. The interfacial properties in ML SiAs field-effect transistors are comprehensively studied with electrodes (graphene, V2CO2, Au, Ag, and Cu) by using ab initio electronic structure calculations and quantum transport simulation. It is found that ML SiAs forms a weak van der Waals interaction with graphene and V2CO2, while it forms a strong interaction with bulk metals (Au, Ag, and Cu). Although ML SiAs has strong anisotropy, it is not reflected in the contact property. Based on the quantum transport simulation, ML SiAs forms n-type lateral Schottky contact with Au, Ag, and Cu electrodes with the Schottky barrier height (SBH) of 0.28 (0.27), 0.40 (0.47), and 0.45 (0.33) eV along the a (b) direction, respectively, while it forms p-type lateral Schottky contact with a graphene electrode with a SBH of 0.34 (0.28) eV. Fortunately, ML SiAs forms an ideal Ohmic contact with the V2CO2 electrode. This study not only gives a deep understanding of the interfacial properties of ML SiAs with electrodes but also provides a guide for the design of ML SiAs devices.
The Recent Progresses of Electrodes and Electrolysers for Seawater Electrolysis
Authors: Zhang Fan , Zhou Junjie , Chen Xiaofeng , Zhao Shengxiao , Zhao Yayun , Tang Yulong , Tian Ziqi , Yang Qihao , Slavcheva Evelina , Lin Yichao , Zhang Qiuju
Published: January 2024

The utilization of renewable energy for hydrogen production presents a promising pathway towards achieving carbon neutrality in energy consumption. Water electrolysis, utilizing pure water, has proven to be a robust technology for clean hydrogen production. Recently, seawater electrolysis has emerged as an attractive alternative due to the limitations of deep-sea regions imposed by the transmission capacity of long-distance undersea cables. However, seawater electrolysis faces several challenges, including the slow kinetics of the oxygen evolution reaction (OER), the competing chlorine evolution reaction (CER) processes, electrode degradation caused by chloride ions, and the formation of precipitates on the cathode. The electrode and catalyst materials are corroded by the Cl− under long-term operations. Numerous efforts have been made to address these issues arising from impurities in the seawater. This review focuses on recent progress in developing high-performance electrodes and electrolyser designs for efficient seawater electrolysis. Its aim is to provide a systematic and insightful introduction and discussion on seawater electrolysers and electrodes with the hope of promoting the utilization of offshore renewable energy sources through seawater electrolysis.
A Highly Active Porous Mo2C-Mo2N Heterostructure on Carbon Nanowalls/Diamond for a High-Current Hydrogen Evolution Reaction
Authors: Zhai Zhaofeng , Zhang Chuyan , Chen Bin , Liu Lusheng , Song Haozhe , Yang Bing , Zheng Ziwen , Li Junyao , Jiang Xin , Huang Nan
Published: January 2024

Developing non-precious metal-based electrocatalysts operating in high-current densities is highly demanded for the industry-level electrochemical hydrogen evolution reaction (HER). Here, we report the facile preparation of binder-free Mo2C-Mo2N heterostructures on carbon nanowalls/diamond (CNWs/D) via ultrasonic soaking followed by an annealing treatment. The experimental investigations and density functional theory calculations reveal the downshift of the d-band center caused by the heterojunction between Mo2C/Mo2N triggering highly active interfacial sites with a nearly zero ∆GH* value. Furthermore, the 3D-networked CNWs/D, as the current collector, features high electrical conductivity and large surface area, greatly boosting the electron transfer rate of HER occurring on the interfacial sites of Mo2C-Mo2N. Consequently, the self-supporting Mo2C-Mo2N@CNWs/D exhibits significantly low overpotentials of 137.8 and 194.4 mV at high current densities of 500 and 1000 mA/cm2, respectively, in an alkaline solution, which far surpass the benchmark Pt/C (228.5 and 359.3 mV) and are superior to most transition-metal-based materials. This work presents a cost-effective and high-efficiency non-precious metal-based electrocatalyst candidate for the electrochemical hydrogen production industry.
Spin-Valve-Controlled Triggering of Superconductivity
Authors: Neilo Alexey , Bakurskiy Sergey , Klenov Nikolay , Soloviev Igor , Kupriyanov Mikhail
Published: January 2024

We have studied the proximity effect in an SF1S1F2s superconducting spin valve consisting of a massive superconducting electrode (S) and a multilayer structure formed by thin ferromagnetic (F1,2) and superconducting (S1, s) layers. Within the framework of the Usadel equations, we have shown that changing the mutual orientation of the magnetization vectors of the F1,2 layers from parallel to antiparallel serves to trigger superconductivity in the outer thin s-film. We studied the changes in the pair potential in the outer s-film and found the regions of parameters with a significant spin-valve effect. The strongest effect occurs in the region of parameters where the pair-potential sign is changed in the parallel state. This feature reveals new ways to design devices with highly tunable inductance and critical current.
Networking Strategies of Triboelectric Nanogenerators for Harvesting Ocean Blue Energy
Authors: Li Xianye , Xu Liang , Wang Zhong Lin
Published: January 2024

The utilization of abundant blue energy in the ocean could greatly contribute to achieving carbon neutrality. However, the unsolved economic and technical challenges of traditional technologies for harvesting blue energy have resulted in slow progress. Triboelectric nanogenerators (TENGs), as a new approach for converting mechanical energy into electricity, have great potential for blue energy harvesting, which can be connected as networks with different numbers of units for varying scales of energy harvesting. Here, recent advances of networking strategies of TENGs for harvesting blue energy are reviewed, mainly concerning mechanical and electrical connection designs. Anchoring strategies of devices and networks are also discussed. The development of TENG networks could provide an effective solution for large-scale ocean blue energy harvesting, which can also serve as an in-situ energy station or power source for self-powered systems, supporting various marine equipment and activities.
Association between Brain White Matter Lesions and Disease Activity in HAM/TSP Patients
Authors: Tamaki Keiko , Ouma Shinji , Takahashi Nobutaka , Fujioka Shinsuke , Tsuboi Yoshio
Published: January 2024

Human T-cell leukemia virus type 1-associated myelopathy/tropical spastic paraparesis (HAM/TSP) patients may have brain white matter (WM) lesions, but the association of these lesions with disease activity is poorly understood. We retrospectively evaluated the brain WM lesions of 22 HAM/TSP patients (male 4: female 18) including 5 rapid progressors, 16 slow progressors, and 1 very slow progressor. The severity of WM brain lesions on axial Fluid Attenuated Inversion Recovery images was evaluated utilizing the Fazekas scale, cerebrospinal fluid biomarkers, and proviral load in peripheral blood mononuclear cells. Imaging and biological data were compared at the first visit and a subsequent visit more than 4 years later. Patients with comorbidities including adult T-cell leukemia–lymphoma and cerebrovascular disease were excluded. The results revealed that brain WM lesions in the rapid progressors group were more pronounced than those in slow progressors. In patients with HAM/TSP, severe and persistent inflammation of the spinal cord may cause brain WM lesions.
Dietary Intake of Soccer Players before, during and after an Official Game: Influence of Competition Level and Playing Position
Authors: Chryssanthopoulos Costas , Souglis Athanasios , Tsalouhidou Sofia , Hulton Andrew T. , Bogdanis Gregory C. , Petridou Anatoli , Philippou Anastassios , Maridaki Maria , Theos Apostolos
Published: January 2024

Physical demands in soccer differ according to league level and playing position and may influence nutritional requirements. This study examined the effect of competition level and playing position on dietary intake in male soccer players (SP). Diet was weighed and recorded by 123 SP for 3 days; before, on the day, and the day after an official match. SP in the Super League (SL, n = 33) division reported higher (p < 0.05) average three-day energy (195 ± 36 kJ/kg), carbohydrate (6.0 ± 1.1 g/kg), and protein (2.2 ± 0.5 g/kg) intakes compared to the intakes reported by SP in the 2nd (n = 30) (energy: 159 ± 31 kJ/kg; carbohydrate: 4.6 ± 1.2 g/kg; protein: 1.9 ± 0.4 g/kg), 3rd (n = 30) (energy: 153 ± 34 kJ/kg; carbohydrate: 4.5 ± 1.2 g/kg; protein: 1.7 ± 0.4 g/kg), and 4th (n = 30) (energy: 152 ± 36 kJ/kg; carbohydrate: 4.2 ± 1.2 g/kg; protein: 1.7 ± 0.5 g/kg) national leagues (mean ± SD). Furthermore, when data were analyzed by playing position (pooled data), wide midfielders reported higher (p < 0.05) energy (183 ± 33 kJ/kg), carbohydrate (5.4 ± 1.2 g/kg), and fat (1.5 ± 0.4 g/kg) intakes compared to central defenders (energy: 147 ± 37 kJ/kg; carbohydrate: 4.1 ± 1.1 g/kg; fat: 1.2 ± 0.4 g/kg). The dietary intake of SP may differ according to the playing position and competition level, possibly due to different metabolic demands in training and competition.
The Roles of MicroRNAs in Asthma and Emerging Insights into the Effects of Vitamin D3 Supplementation
Authors: Hernández-Díazcouder Adrián , Romero-Nava Rodrigo , Del-Río-Navarro Blanca E. , Sánchez-Muñoz Fausto , Guzmán-Martín Carlos A. , Reyes-Noriega Nayely , Rodríguez-Cortés Octavio , Leija-Martínez José J. , Vélez-Reséndiz Juan Manuel , Villafaña Santiago , Hong Enrique , Huang Fengyang
Published: January 2024

Asthma is one of the most common chronic non-communicable diseases worldwide, characterized by variable airflow limitation secondary to airway narrowing, airway wall thickening, and increased mucus resulting from chronic inflammation and airway remodeling. Current epidemiological studies reported that hypovitaminosis D is frequent in patients with asthma and is associated with worsening the disease and that supplementation with vitamin D3 improves asthma symptoms. However, despite several advances in the field, the molecular mechanisms of asthma have yet to be comprehensively understood. MicroRNAs play an important role in controlling several biological processes and their deregulation is implicated in diverse diseases, including asthma. Evidence supports that the dysregulation of miR-21, miR-27b, miR-145, miR-146a, and miR-155 leads to disbalance of Th1/Th2 cells, inflammation, and airway remodeling, resulting in exacerbation of asthma. This review addresses how these molecular mechanisms explain the development of asthma and its exacerbation and how vitamin D3 may modulate these microRNAs to improve asthma symptoms.
Mineral Intake and Cardiovascular Disease, Cancer, and All-Cause Mortality: Findings from the Golestan Cohort Study
Authors: Yazdanpanah Mohammad Hosein , Sharafkhah Maryam , Poustchi Hossein , Etemadi Arash , Sheikh Mahdi , Kamangar Farin , Pourshams Akram , Boffetta Paolo , Dawsey Sanford M. , Abnet Christian C. , Malekzadeh Reza , Hashemian Maryam
Published: January 2024

Associations between mineral intake and mortality in non-Western countries have not been studied adequately. This study evaluated these associations in the Golestan Cohort Study, featuring a Middle Eastern population. The mineral intake was estimated from the baseline food frequency questionnaire, adjusted by using the nutrient density method, and divided into quintiles. We used Cox proportional hazards models to estimate hazard ratios (HR) and 95% confidence intervals (CI) for the mortality. We analyzed 41,863 subjects with a mean age of 51.46 ± 8.73 years at the baseline. During 578,694 person-years of follow-up (median: 14.1 Years), 7217 deaths were recorded. Dietary calcium intake was inversely associated with the all-cause mortality (HRQ5 vs. Q1 = 0.91, 95%CI = 0.85–0.99). We observed significant associations between calcium (HRQ5 vs. Q1 = 0.82, 95% CI = 0.73–0.93), copper (HRQ5 vs. Q1 = 1.11, 95% CI = 0.99–1.26), and selenium intake (HRQ5 vs. Q1 = 1.14, 95% CI = 1.01–1.29) and CVD mortality. Dietary phosphorus (HRQ5 vs. Q1 = 0.81, 95%CI = 0.69–0.96) and copper intake (HRQ5 vs. Q1 = 0.84, 95%CI = 0.71–0.99) were inversely associated with cancer mortality. In this study within a Middle Eastern population, a higher dietary intake of calcium exhibited an inverse association with all-cause mortality. Furthermore, nuanced associations were observed in the cause-specific mortality, suggesting potential avenues for dietary interventions and emphasizing the importance of considering dietary factors in public health strategies.
Characterization of Variant RNAs Encapsidated during Bromovirus Infection by High-Throughput Sequencing
Authors: Dexheimer Sarah , Shrestha Nipin , Chapagain Bandana Sharma , Bujarski Jozef J. , Yin Yanbin
Published: January 2024

Previously, we described the RNA recombinants accumulating in tissues infected with the bromoviruses BMV (Brome mosaic virus) and CCMV (Cowpea chlorotic mottle virus). In this work, we characterize the recombinants encapsidated inside the purified virion particles of BMV and CCMV. By using a tool called the Viral Recombination Mapper (ViReMa) that detects recombination junctions, we analyzed a high number of high-throughput sequencing (HTS) short RNA sequence reads. Over 28% of BMV or CCMV RNA reads did not perfectly map to the viral genomes. ViReMa identified 1.40% and 1.83% of these unmapped reads as the RNA recombinants, respectively, in BMV and CCMV. Intra-segmental crosses were more frequent than the inter-segmental ones. Most intra-segmental junctions carried short insertions/deletions (indels) and caused frameshift mutations. The mutation hotspots clustered mainly within the open reading frames. Substitutions of various lengths were also identified, whereas a small fraction of crosses occurred between viral and their host RNAs. Our data reveal that the virions can package detectable amounts of multivariate recombinant RNAs, contributing to the flexible nature of the viral genomes.
RETRACTED: Alhakamy et al. Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells. Pharmaceutics 2020, 12, 761
Authors: Alhakamy Nabil A. , Badr-Eldin Shaimaa M. , Fahmy Usama A. , Alruwaili Nabil K. , Awan Zuhier A. , Caruso Giuseppe , Alfaleh Mohamed A. , Alaofi Ahmed L. , Arif Faris O , Ahmed Osama A. A. , Alghaith Adel F.
Published: January 2024

The journal retracts the article, “Thymoquinone-Loaded Soy-Phospholipid-Based Phytosomes Exhibit Anticancer Potential against Human Lung Cancer Cells” [...]