bluuebunny/crossref_metadata_2025 huggingface dataset:
Feasibility Analysis of Calcium Carbonate Particle Trajectory Simulation in a Dual Horizontal Shaft Mixer
Authors: Song Guozheng , Huang Faguo , Pan Jiafang
Published: August 2023

This article aims to investigate the feasibility of using discrete element software EDEM 2022.0 to simulate the trajectory of artificial marble patterns in a dual horizontal shaft mixer. Research was conducted on the mixing uniformity of particles in the mixing chamber, and the optimal speed range for particle mixing was established. By simulating the trajectory of pigment particles, the trajectories of the particles at different positions of the stirring paddle were obtained, and the trajectories were compared with the measured results. In the study of uniform particle mixing, the Lacey index at different speeds was compared, and the optimal speed range was established between 40 RPM and 60 RPM. Based on this, the particle trajectory simulation found that the motion trajectories of particles at different positions of the stirring paddle varied significantly. The particles in the stirring paddle rod exhibit a gradual trend, in which they gradually decrease as they approach the head of the stirring paddle. Finally, the feasibility of this method was established by comparing the simulated and actual patterns through proportional replication of the mixing process, and it was discovered that the two were similar.
Graphene Oxide Membranes—Synthesis, Properties, and Applications
Authors: Chumakova Natalia , Kokorin Alexander
Published: August 2023

Graphene oxide (GO) is a layered material composed of graphene planes randomly decorated by oxygen-containing groups—carbonyl, hydroxyl, epoxy, carboxyl, etc [...]
Localized Perturbation Load Approach for Buckling Design of Thin-Walled Steel Cylindrical Shells under Partial Axial Compression
Authors: Ma He , Jiao Peng , Xu Huangyang , Li Xinshuang , Chen Zhiping
Published: August 2023

A thin-walled steel cylindrical shell is a common engineering structure that has an efficient load-carrying capacity. This structure is more easily subjected to partial axial compression loads in application, and buckling is the main failure mode. However, there are few available design methods for partial axially compressed steel cylindrical shells. Motivated by this, a design method called the localized perturbation load approach (LPLA) is proposed in this paper. The finite element framework for the application of LPLA is established. The location and number of perturbation loads are determined by considering the imperfection sensitivity and the buckling failure mode of partial axial compressed cylinders. A series of buckling experiments are carried out to validate the LPLA method. In addition, the reliability of LPLA for the design of cylindrical shells with different imperfection locations and dimensions is also verified. The results show that LPLA can give conservative and reliable lower-bound buckling loads. Therefore, LPLA can be used as a design method for thin-walled steel cylindrical shell structures under partial axial compression in actual engineering.
Bayesian Statistics Improves Biological Interpretability of Metabolomics Data from Human Cohorts
Authors: Brydges Christopher , Che Xiaoyu , Lipkin Walter Ian , Fiehn Oliver
Published: August 2023

Univariate analyses of metabolomics data currently follow a frequentist approach, using p-values to reject a null hypothesis. We here propose the use of Bayesian statistics to quantify evidence supporting different hypotheses and discriminate between the null hypothesis versus the lack of statistical power. We used metabolomics data from three independent human cohorts that studied the plasma signatures of subjects with myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS). The data are publicly available, covering 84–197 subjects in each study with 562–888 identified metabolites of which 777 were common between the two studies and 93 were compounds reported in all three studies. We show how Bayesian statistics incorporates results from one study as “prior information” into the next study, thereby improving the overall assessment of the likelihood of finding specific differences between plasma metabolite levels. Using classic statistics and Benjamini–Hochberg FDR-corrections, Study 1 detected 18 metabolic differences and Study 2 detected no differences. Using Bayesian statistics on the same data, we found a high likelihood that 97 compounds were altered in concentration in Study 2, after using the results of Study 1 as the prior distributions. These findings included lower levels of peroxisome-produced ether-lipids, higher levels of long-chain unsaturated triacylglycerides, and the presence of exposome compounds that are explained by the difference in diet and medication between healthy subjects and ME/CFS patients. Although Study 3 reported only 92 compounds in common with the other two studies, these major differences were confirmed. We also found that prostaglandin F2alpha, a lipid mediator of physiological relevance, was reduced in ME/CFS patients across all three studies. The use of Bayesian statistics led to biological conclusions from metabolomic data that were not found through frequentist approaches. We propose that Bayesian statistics is highly useful for studies with similar research designs if similar metabolomic assays are used.
Enhanced Photoluminescence and Prolonged Carrier Lifetime through Laser Radiation Hardening and Self-Healing in Aged MAPbBr3 Perovskites Encapsulated in NiO Nanotubes
Authors: Kamau Steve , Rodriguez Roberto Gonzalez , Jiang Yan , Mondragon Araceli Herrera , Varghese Sinto , Hurley Noah , Kaul Anupama , Cui Jingbiao , Lin Yuankun
Published: August 2023

Organic-inorganic perovskites hold great promise as optoelectronic semiconductors for pure color light emitting and photovoltaic devices. However, challenges persist regarding their photostability and chemical stability, which limit their extensive applications. This paper investigates the laser radiation hardening and self-healing-induced properties of aged MAPbBr3 perovskites encapsulated in NiO nanotubes (MAPbBr3@NiO) using photoluminescence (PL) and fluorescence lifetime imaging (FLIM). After deliberately subjecting the MAPbBr3@ NiO to atmospheric conditions for two years, the sample remains remarkably stable. It exhibits no changes in PL wavelength during UV laser irradiation and self-healing. Furthermore, exposure to UV light at 375 nm enhances the PL of the self-healed MAPbBr3@NiO. FLIM analysis sheds light on the mechanism behind photodegradation, self-healing, and PL enhancement. The results indicate the involvement of many carrier-trapping states with low lifetime events and an increase in peak lifetime after self-healing. The formation of trapping states at the perovskite/nanotube interface is discussed and tested. This study provides new insights into the dynamics of photo-carriers during photodegradation and self-healing in organic-inorganic perovskites.
Optoelectronic Effects of Copper–Indium–Gallium–Sulfur (CIGS2)-Solar Cells Prepared by Three-Stage Co-Evaporation Process Technology
Authors: Li Tzu-Chien , Chang Chia-Wen , Tai Chia-Chun , Ho Jyh-Jier , Hsieh Tung-Po , Liu Yung-Tsung , Lu Tsung-Lin
Published: August 2023

In this paper, the performance of Cu-(In,Ga)-S2 (CIGS2) solar cells with adjusting composite [Cu]/([Ga] + [In]) (CGI)-ratio absorber was explored and compared through an improved three-stage co-evaporation technique. For co-evaporating CIGS2 absorber as a less toxic alternative to Cd-containing film, we analyzed the effect of the CGI-ratio stoichiometry and crystallinity, and explored its opto-electric sensing characteristic of individual solar cell. The results of this research signified the potential of high-performance CIGS2-absorption solar cells for photovoltaic (PV)-module industrial applications. For the optimal CIGS2-absorption film (CGI = 0.95), the Raman main-phase signal (A1) falls at 291 cm−1, which was excited by the 532 nm line of Ar+-laser. Using photo-luminescence (PL) spectroscopy, the corresponding main-peak bandgaps measured was 1.59 eV at the same CGI-ratio film. Meanwhile, the best conversion efficiency (η = 3.212%) and the average external quantum efficiency (EQE = 51.1% in the visible-wavelength region) of photo-electric properties were achieved for the developed CIGS2-solar cells (CGI = 0.95). The discoveries of this CIGS2-absorption PV research provided a new scientific understanding of solar cells. Moreover, this research undeniably contributes to a major advancement towards practical PV-module applications and can help more to build an eco-friendly community.
Gas Barrier Properties of Multilayer Polymer–Clay Nanocomposite Films: A Multiscale Simulation Approach
Authors: Knizhnik Andrey , Komarov Pavel , Potapkin Boris , Shirabaykin Denis , Sinitsa Alexander , Trepalin Sergey
Published: August 2023

The paper discusses the development of a multiscale computational model for predicting the permeability of multilayer protective films consisting of multiple polymeric and hybrid layers containing clay minerals as fillers. The presented approach combines three levels of computation: continuous, full atomic, and quantitative structure–property correlations (QSPR). Oxygen and water are chosen as penetrant molecules. The main predictions are made using the continuum model, which takes into account the real scales of films and nanoparticles. It is shown that reliable predictions of the permeability coefficients can be obtained for oxygen molecules, which is not always possible for water. The latter requires the refinement of existing QSPR methods and interatomic interaction potentials for the atomistic level of calculations. Nevertheless, we show that the maximum effect on permeability reduction from the addition of clay fillers to the hybrid layer can be achieved by using nanoparticles with large aspect ratios and a high degree of orientational order. In addition, the use of the hybrid layer should be combined with the use of polymer layers with minimal oxygen and water permeability. The constructed model can be used to improve the properties of protective coatings for food and drug storage and to regulate the gas permeability of polymeric materials.
Remote Sensing for Lithology Mapping in Vegetation-Covered Regions: Methods, Challenges, and Opportunities
Authors: Chen Yansi , Wang Yunchen , Zhang Feng , Dong Yulong , Song Zhihong , Liu Genyuan
Published: August 2023

Remote sensing (RS) technology has significantly contributed to geological exploration and mineral resource assessment. However, its effective application in vegetated areas encounters various challenges. This paper aims to provide a comprehensive overview of the challenges and opportunities associated with RS-based lithological identification in vegetated regions which includes the extensively reviewed prior research concerning the identification of lithology in vegetated regions, encompassing the utilized remote sensing data sources, and classification methodologies. Moreover, it offers a comprehensive overview of the application of remote sensing techniques in the domain of lithological mapping. Notably, hyperspectral RS and Synthetic Aperture Radar (SAR) have emerged as prominent tools in lithological identification. In addition, this paper addresses the limitations inherent in RS technology, including issues related to vegetation cover and terrain effects, which significantly impact the accuracy of lithological mapping. To propel further advancements in the field, the paper proposes promising avenues for future research and development. These include the integration of multi-source data to improve classification accuracy and the exploration of novel RS techniques and algorithms. In summary, this paper presents valuable insights and recommendations for advancing the study of RS-based lithological identification in vegetated areas.
Reactivity of Basaltic Minerals for CO2 Sequestration via In Situ Mineralization: A Review
Authors: Rasool Muhammad Hammad , Ahmad Maqsood
Published: August 2023

The underground storage of CO2 (carbon dioxide) in basalt presents an exceptionally promising solution for the effective and permanent sequestration of CO2. This is primarily attributed to its geochemistry and the remarkable presence of reactive basaltic minerals, which play a pivotal role in facilitating the process. However, a significant knowledge gap persists in the current literature regarding comprehensive investigations on the reactivity of basaltic minerals in the context of CO2 sequestration, particularly with respect to different basalt types. To address this gap, a comprehensive investigation was conducted that considered seven distinct types of basalts identified through the use of a TAS (total alkali–silica) diagram. Through a thorough review of the existing literature, seven key factors affecting the reactivity of basaltic minerals were selected, and their impact on mineral reactivity for each basalt type was examined in detail. Based on this analysis, an M.H. reactivity scale was introduced, which establishes a relationship between the reactivity of dominant and reactive minerals in basalt and their potential for carbonation, ranging from low (1) to high (5). The study will help in choosing the most suitable type of basalt for the most promising CO2 sequestration based on the percentage of reactive minerals. Additionally, this study identified gaps in the literature pertaining to enhancing the reactivity of basalt for maximizing its CO2 sequestration potential. As a result, this study serves as an important benchmark for policymakers and researchers seeking to further explore and improve CO2 sequestration in basaltic formations.
Transgression Related Holocene Coastal Glendonites from Historic Sites
Authors: Schultz Bo , Huggett Jennifer , van de Schootbrugge Bas , Ullmann Clemens V. , Broch Mathias C.
Published: August 2023

This study examines the occurrence of glendonite along coastlines since 1825, which have been previously referred to under different names such as Pseudogaylussite, Fundylite, and Kool Hoot across eleven sites. By utilising element ratios and 14C radiometric dating techniques, we establish a more accurate chronology for these varied sites ranging from 10 to 1 thousand years before the present (Ky BP). Sites include tidal flats, coastal barrier islands, and Wadden Sea environments. While some sites still exist, others are only known through publications and museum collections. Our research expands upon previous findings by presenting petrographic evidence that correlates with glendonite formation. Through the examination of the Olenitsa site on the Kola Peninsula, we demonstrate that marine bioclasts enclosed within concretions surrounding glendonites provide temporal context, suggesting that these outcrops were formed during a single event under changing conditions. Notably, certain sediment structures at selected sites indicate the occurrence of cold-water ice-raft storm events and the presence of drop stones. Furthermore, our paper explores the association of historic coastal sites with the formation of ikaite, highlighting the limitations of relying solely on geochemistry and isotopic analysis for interpretation. Intriguingly, we observe that pseudomorphs are abundant in specific areas but absent in adjacent regions with similar environmental, physical, and chemical conditions. No apparent connection is found between volcanic dust cloud-induced cold spells and glendonite. The distribution of coastal glendonites is more likely related to periods of climatic cooling through other means. We show that radiometric dating with 14C provides an indication of age, but the results can be erroneous due to the inclusion of older carbon sources in the analysis. The oldest locations discussed in this study are Kool Hoot (Alaska) and the river Clyde (Scotland), and the youngest glendonites discussed are from the Bay of Fundy in Canada. Occurrences from the Wadden Sea are intermediate in age and sit between the other two groups. The age of the Olenitsa site on the Russian Kola Peninsula is uncertain and still debated. We show that measuring the ratio of Mg/Ca can indicate how much the recrystallised ikaite preserved as calcite is influenced by diagenetic pore waters.
Fluorescent and Catalytic Properties of a 2D Lamellar Zn Metal–Organic Framework with sql Network Structure
Authors: Shin Chaewon , Kim Jongseo , Huh Seong
Published: August 2023

A two-dimensional (2D) lamellar Zn metal–organic framework (Zn-MOF, 1) with a fluorescent 1,6-di(pyridin-3-yl)pyrene (3-DPPy) and 1,4-benzenedicarboxylate (BDC2−) bridging linkers was prepared and structurally characterized. The chemical formula of 1 is [Zn(μ-3-DPPy)(μ-BDC)]n. The mononuclear Zn(II) ion, acting as a node, is tetrahedrally coordinated with two 3-DPPy and two BDC linkers. The coordination environment of Zn(II) is a distorted tetrahedral geometry. The Zn-MOF is the sql network structure based on topology analysis. The undulated 2D sheets of 1 tightly pack together to form a lamellar structure. The pyrene moieties are parallelly oriented to each other. The Zn-MOF is not porous, possibly because the mononuclear Zn(II) node did not form cluster-based secondary building units due to the less symmetric 3-DPPy. The steady-state fluorescence measurements indicate that the fluorescence signal of the 1 is slightly blue-shifted compared to the free 3-DPPy in the solid state. The excimer emission band at 463 nm for crystalline 3-DPPy is shifted to 447 nm for 1. The value of 447 nm is also a blue-shift value compared to nonsubstituted pyrene crystals (470 nm). Despite its nonporosity, the surface Lewis acidic sites of 1 could catalyze the transesterification of esters. Surface defect sites are responsible for this catalytic activity.
Lipase-Catalyzed Strategies for the Preparation of Enantiomeric THIQ and THβC Derivatives: Green Aspects
Authors: Orsy György , Forró Enikő
Published: August 2023

This report reviews the most important lipase-catalyzed strategies for the preparation of pharmaceutically and chemically important tetrahydroisoquinoline and tetrahydro-β-carboline enantiomers through O-acylation of the primary hydroxy group, N-acylation of the secondary amino group, and COOEt hydrolysis of the corresponding racemic compounds with simple molecular structure, which have been reported during the last decade. A brief introduction describes the importance and synthesis of tetrahydroisoquinoline and tetrahydro-β-carboline derivatives, and it formulates the objectives of this compilation. The strategies are presented in chronological order, classified according to function of the reaction type, as kinetic and dynamic kinetic resolutions, in the main text. These reactions result in the desired products with excellent ee values. The pharmacological importance of the products together with their synthesis is given in the main text. The enzymatic hydrolysis of the hydrochloride salts as racemates of the starting amino carboxylic esters furnished the desired enantiomeric amino carboxylic acids quantitatively. The enzymatic reactions, performed in tBuOMe or H2O as usable solvents, and the transformations carried out in a continuous-flow system, indicate clear advantages, including atom economy, reproducibility, safer solvents, short reaction time, rapid heating and compression vs. shaker reactions. These features are highlighted in the main text.
Multifunctional Spirogyra-hyalina-Mediated Barium Oxide Nanoparticles (BaONPs): Synthesis and Applications
Authors: Abdullah  , Rahman Anees ur , Faisal Shah , Almostafa Mervt M. , Younis Nancy S. , Yahya Galal
Published: August 2023

This research aims to biosynthesize Barium oxide nanoparticles (BaONPs) for biomedical applications, using Spirogyra hyalina as a stabilizing and reducing agent. UV–visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), energy-dispersive X-ray, X-ray diffraction (XRD), and scanning electron microscopy (SEM) were used to physiochemically characterize the barium oxide nanoparticles, while antibacterial, minimum inhibitory concentration, antifungal, free radicle scavenging, and anti-inflammatory assay were performed to assess the therapeutic potential of the synthesized BaONPs. Fourier transform infrared spectroscopy revealed bands at 615 and 692 cm−1 that corresponded to the formation of BaONPs. Scanning electron microscopy revealed the spherical and flower-shaped morphology of BaONPs having an average diameter of 64.01 ± 2.0 nm. Both Gram-positive and Gram-negative bacterial growth was halted by the barium nanoparticles, demonstrating their efficacy up to 19.12 ± 0.31 mm against E. coli, 18.83 ± 0.44 mm against Klebsiella pneumoniae, 17.31 ± 0.59 mm against P. aeruginosa, 16.56 ± 0.37 mm against S. aureus, and 15.75 ± 0.38 mm against S. epidermidis, respectively. The minimum inhibitory concentration was 9.0, 6.3, 5.5, 4.5, and 2.0 µg/mL for S. aureus, Klebsiella pneumoniae, S. epidermidis, P. aeruginosa, and E. coli, respectively. BaONPs were not that effective against fungal strains such as Rhizoctonia solani, Fusarium solani, and Fusarium proliferatum. The BaONPs exhibited potent anti-inflammatory and antioxidant activity through inhibiting cyclooxygenases type 1 (43.12 ± 1.21%) and 2 (41.23 ± 1.56%), and DPPH free radicles up to 43.52 ± 0.29% at 400 µg/mL. In conclusion, the biomolecules derived from Spirogyra hyalina have demonstrated remarkable ability to generate stable nanoparticles, offering promising prospects for their utilization as therapeutic agents and coating materials in various biomedical applications.
Molecular Dynamics Simulation of Polyacrylamide Adsorption on Calcite
Authors: Hue Keat Yung , Lew Jin Hau , Myo Thant Maung Maung , Matar Omar K. , Luckham Paul F. , Müller Erich A.
Published: August 2023

In poorly consolidated carbonate rock reservoirs, solids production risk, which can lead to increased environmental waste, can be mitigated by injecting formation-strengthening chemicals. Classical atomistic molecular dynamics (MD) simulation is employed to model the interaction of polyacrylamide-based polymer additives with a calcite structure, which is the main component of carbonate formations. Amongst the possible calcite crystal planes employed as surrogates of reservoir rocks, the (1 0 4) plane is shown to be the most suitable surrogate for assessing the interactions with chemicals due to its stability and more realistic representation of carbonate structure. The molecular conformation and binding energies of pure polyacrylamide (PAM), hydrolysed polyacrylamide in neutral form (HPAM), hydrolysed polyacrylamide with 33% charge density (HPAM 33%) and sulfonated polyacrylamide with 33% charge density (SPAM 33%) are assessed to determine the adsorption characteristics onto calcite surfaces. An adsorption-free energy analysis, using an enhanced umbrella sampling method, is applied to evaluate the chemical adsorption performance. The interaction energy analysis shows that the polyacrylamide-based polymers display favourable interactions with the calcite structure. This is attributed to the electrostatic attraction between the amide and carboxyl functional groups with the calcite. Simulations confirm that HPAM33% has a lower free energy than other polymers, presumably due to the presence of the acrylate monomer in ionised form. The superior chemical adsorption performance of HPAM33% agrees with Atomic Force Microscopy experiments reported herein.
Exploring Diverse Bioactive Secondary Metabolites from Marine Microorganisms Using Co-Culture Strategy
Authors: Li Xiaolin , Xu Huayan , Li Yuyue , Liao Shengrong , Liu Yonghong
Published: August 2023

The isolation and identification of an increasing number of secondary metabolites featuring unique skeletons and possessing diverse bioactivities sourced from marine microorganisms have garnered the interest of numerous natural product chemists. There has been a growing emphasis on how to cultivate microorganisms to enhance the chemical diversity of metabolites and avoid the rediscovery of known ones. Given the significance of secondary metabolites as a means of communication among microorganisms, microbial co-culture has been introduced. By mimicking the growth patterns of microbial communities in their natural habitats, the co-culture strategy is anticipated to stimulate biosynthetic gene clusters that remain dormant under traditional laboratory culture conditions, thereby inducing the production of novel secondary metabolites. Different from previous reviews mainly focusing on fermentation conditions or metabolite diversities from marine-derived co-paired strains, this review covers the marine-derived co-culture microorganisms from 2012 to 2022, and turns to a particular discussion highlighting the selection of co-paired strains for marine-derived microorganisms, especially the fermentation methods for their co-cultural apparatus, and the screening approaches for the convenient and rapid detection of novel metabolites, as these are important in the co-culture. Finally, the structural and bioactivity diversities of molecules are also discussed. The challenges and prospects of co-culture are discussed on behave of the views of the authors.
Synthesis of Spirocyclopropane-Containing 4H-Pyrazolo[1,5-a]indoles via Alkylative Dearomatization and Intramolecular N-Imination of an Indole–O-(Methylsulfonyl)oxime
Authors: Huang Jiann-Jyh , Liao Hung-Chun , Hsu Cheng-En , Liu Yan-Ru , Chang Yi-Fu , Chou Shan-Yen
Published: August 2023

In this paper, we report the synthesis of spirocyclopropane-containing 4H-pyrazolo[1,5-a]indoles 6a–e via alkylative dearomatization and intramolecular N-imination of indole–O-(methylsulfonyl)oxime 11. Starting materials tryptophol (7) and 2-bromocyclopetanone (8) were reacted in the presence of HBF4·OEt2, providing 1,2,3,5,6,11-hexahydrocyclopenta[2,3]oxepino[4,5-b]indole (9) in a 63% yield. Compound 9 was reacted with hydroxylamine hydrochloride to afford oxime 10 (65% yield), which was subsequently bis-methanesulfonated to form 11 in a 85% yield. Heating 11 with various alcohols in the presence of N,N-diisopropylethylamine (DIPEA) triggered the alkylative dearomatization and intramolecular N-imination, forming the spirocyclopropane and 4H-pyrazolo[1,5-a]indole structures in the targets 6a–e with 67–84% yields.
Methanation of CO2 over Ruthenium Supported on Alkali-Modified Silicalite-1 Catalysts
Authors: Zieliński Michał , Janiszewska Ewa , Drewniak Adrianna , Pietrowski Mariusz
Published: August 2023

This study focuses on the catalytic properties of ruthenium catalysts supported on modified silicalite-1 (with an MFI structure). By post-synthesis modification of silicalite-1 with solutions of alkali metal compound, a novel and cost-effective method was discovered to create basic centers on the surface of silicalite-1 supports. The modification not only affected the basicity of the supports but also their porosity. The influence of the type of alkali solution (KOH or NaOH) and its concentration (0.1 M or 1.0 M) on both the basicity and porosity was investigated. The modified silicalite-1 materials were employed as supports for ruthenium catalysts (1 wt.% Ru) and evaluated for their CO2 methanation activity. The results were compared with the hydrogenation performance of ruthenium catalysts supported on unmodified silicalite-1. Characterization of the supports and catalysts was conducted using techniques such as BET, XRD, FT-IR, ICP-OES, TPR-H2, H2 chemisorption, TPD-CO2, SEM, and TEM. Remarkably, the catalytic activity of ruthenium supported on silicalite-1 treated with 1.0 M NaOH (exhibiting selectivity toward methane above 90% in a reaction temperature range of 250–450 °C) outperformed both unmodified and KOH-modified silicalite-1 supported Ru catalysts.
RP-HPLC-Based Flavonoid Profiling Accompanied with Multivariate Analysis: An Efficient Approach for Quality Assessment of Houttuynia cordata Thunb Leaves and Their Commercial Products
Authors: Nguyen Minh Hien , Ha Dieu Ly , Do Binh Minh , Chau Ngoc Trong Nghia , Tran Thi Huong , Le Nguyen Thien Han , Le Minh Tri
Published: August 2023

Chemical profiling for quality monitoring and evaluation of medicinal plants is gaining attention. This study aims to develop an HPLC method followed by multivariate analysis to obtain HPLC profiles of five specific flavonoids, including rutin (1), hyperin (2), isoquercitrin (3), quercitrin (4), and quercetin (5) from Houttuynia cordata leaves and powder products and assess the quality of H. cordata samples. Eventually, we successfully established HPLC-based flavonoid profiles and quantified the contents of 32 H. cordata fresh leave samples and four powder products. The study also quantified the contents of those five essential flavonoids using an optimized RP-HPLC method. Peak areas of samples were then investigated with principal component analysis (PCA) and hierarchical cluster analysis (HCA) to evaluate the similarity and variance. Principal components in PCA strongly influenced by hyperin and quercetin showed that the samples were clustered into subgroups, demonstrating H. cordata samples’ quality. The results of HCA showed the similarity and divided the samples into seven subgroups. In conclusion, we have successfully developed a practical methodology that combined the HPLC-based flavonoid profiling and multivariate analysis for the quantification and quality control of H. cordata samples from fresh leaves and powder products. For further studies, we will consider various environmental factors, including climate and soil factors, to investigate their effects on the flavonoid contents of H. cordata.
Using UPLC-LTQ-Orbitrap-MS and HPLC-CAD to Identify Impurities in Cycloastragenol, Which Is a Pre-Clinical Candidate for COPD
Authors: Zhu Feng , Zhang Xiao , Du Bing-Yuan , Zhu Xiang-Xia , Zhao Gui-Fang , Sun Ying , Yao Qing-Qiang , Liang Hong-Bao , Yao Jing-Chun , Liu Zhong , Zhang Gui-Min , Qin Guo-Fei
Published: August 2023

Chronic obstructive pulmonary disease (COPD) is a highly prevalent disease that has become the third leading cause of death worldwide. Cycloastragenol (CAG), which is the genuine sapogenin of the main active triterpene saponins in Astragali radix, is a bioavailable pre-clinical candidate for chronic obstructive pulmonary disease (COPD), and it was investigated in our previous study. In order to progress medical research, it was first efficiently produced on a 2.5-kg scale via Smith degradation from astragaloside IV (AS-IV). Simultaneously, since the impurity profiling of a drug is critical for performing CMC documentation in pre-clinical development, a study on impurities was carried out. As these structures do not contain chromophores and possess weak UV absorption characteristics, HPLC-CAD and UPLC-LTQ-Orbitrap-MS were employed to carry out the quality control of the impurities. Then, column chromatography (CC), preparative thin-layer chromatography (PTLC), and crystallization led to the identification of 15 impurities from CAG API. Among these impurities, compounds 1, 4, 9, 10, 14, and 15 were elucidated via spectroscopic analysis, and 2–3, 5–8, and 11–13 were putatively identified. Interestingly, the new compounds 9 and 14 were rare 10, 19-secocycloartane triterpenoids that displayed certain anti-inflammatory activities against LPS-induced lymphocyte cells and CSE-induced MLE-12 cells. Additionally, a plausible structural transformation pathway of the degradation compounds from CAG or AS IV was proposed. The information obtained will provide a material basis to carry out the quality control and clinical safety assurance of API and related prescriptions. Reasonable guidance will also be provided regarding the compounds with weak UV absorption characteristics.
Vitamin D Status, Vitamin D Receptor Polymorphisms, and the Risk of Incident Rosacea: Insights from Mendelian Randomization and Cohort Study in the UK Biobank
Authors: Mao Rui , Zhou Guowei , Jing Danrong , Liu Hong , Shen Minxue , Li Ji
Published: August 2023

Background: Previous cross-sectional studies have failed to definitively establish a causal relationship between serum 25-hydroxyvitamin D (25OHD) concentrations and the onset of rosacea. Objective: To investigate the potential association between serum 25OHD levels, vitamin D receptor (VDR) polymorphisms, and the risk of developing incident rosacea. Methods: This cross-sectional population-based cohort study utilizing 370,209 individuals from the UK Biobank. Cox proportional hazard regression models and two-sample Mendelian randomization (MR) analyses were applied to explore the causative relationship between 25OHD and incident rosacea. Results: Our findings revealed that elevated levels of serum 25OHD were inversely correlated with the risk of incident rosacea. Specifically, compared to participants with 25OHD levels below 25 nmol/L, the multivariate-adjusted HR for incident rosacea was 0.81 (95% CI: 0.70, 0.94) in those with 25OHD levels exceeding 50 nmol/L. Further, in comparison to individuals with serum 25OHD less than 25 nmol/L and the rs731236 (TaqI) AA allele, those with serum 25OHD higher than 75 nmol/L and the TaqI GG allele had a multivariate-adjusted HR of 0.51 (95% CI 0.32 to 0.81) for developing rosacea. Results from the MR study supported a significant association, with each standard deviation increase in serum 25OHD concentrations correlating to a 23% reduced risk of rosacea (HR = 0.77, 95% CI: 0.63, 0.93). Conclusions: The findings of this cohort study indicate an inverse association between increased concentrations of serum 25OHD and the risk of developing incident rosacea. While our results highlight the potential protective role of vitamin D, the definitive efficacy of vitamin D supplementation as a preventive strategy against rosacea requires further investigation.
Exploring the Network between Adipocytokines and Inflammatory Response in SARS-CoV-2 Infection: A Scoping Review
Authors: Nigro Ersilia , D’Agnano Vito , Quarcio Gianluca , Mariniello Domenica Francesca , Bianco Andrea , Daniele Aurora , Perrotta Fabio
Published: August 2023

Adipose tissue is actually regarded as an endocrine organ, rather than as an organ that merely stores energy. During the COVID-19 pandemic, obesity has undoubtedly emerged as one of the most important risk factors for disease severity and poor outcomes related to SARS-CoV-2 infection. The aberrant production of cytokine-like hormones, called adipokines, may contribute to alterations in metabolism, dysfunction in vascular endothelium and the creation of a state of general chronic inflammation. Moreover, chronic, low-grade inflammation linked to obesity predisposes the host to immunosuppression and excessive cytokine activation. In this respect, understanding the mechanisms that link obesity with the severity of SARS-CoV-2 infection could represent a real game changer in the development of new therapeutic strategies. Our review therefore examines the pathogenic mechanisms of SARS-CoV-2, the implications with visceral adipose tissue and the influences of the adipose tissue and its adipokines on the clinical behavior of COVID-19.
A Program of Life-Style Modification Improved the Body Weight and Micronutrient Status in Obese Patients after Bariatric Surgery
Authors: Crespo-Yanguas Marta , Lumpuy-Castillo Jairo , Espadas Cristina , Aragón-Valera Carmen , Vázquez Clotilde , Lorenzo Óscar
Published: August 2023

Introduction: Bariatric surgery is an efficient approach to rapidly reduce morbid obesity and associated comorbidities. However, approximately one-fourth of patients experience weight and comorbidity recurrence, and both obesity and bariatric surgery can lead to micronutrient deficiencies. Implementing a structured program of lifestyle modification (PLM) might enhance weight loss and improve micronutrient status. Methodology: A total of 121 severely obese patients underwent Roux-en-Y gastric bypass (RYGB). Among them, 71 adhered to a PLM involving dietary changes (low- and very-low-calorie Mediterranean diets) and physical exercises (aerobic and resistance training) both before and after surgery, while 50 patients followed a conventional protocol. Anthropometric measurements and serological parameter quantifications were conducted throughout the procedures. Results: The obese study population, primarily female (76.9%), with an average age of 47.11 ± 9.68, and a body mass index (BMI) of 44.68 ± 5.08 kg/m2, underwent either RYGB with a PLM or a conventional procedure. Before surgery, the PLM group exhibited significant reductions in body weight (6.3%) and phosphoremia compared to the conventional protocol (0.78%). Post-RYGB, the PLM group demonstrated shortened in-hospital stays and further BMI reductions (−16.12 kg/m2) that persisted for up to 2 years. Furthermore, the PLM group experienced increased plasma vitamin D levels (14.79 ng/mL vs. 1.2 ng/mL) for up to 2 years, as well as elevated folic acid (1.52 vs. −0.29 ng/mL) and phosphorus (0.48 vs. 0.06 mg/dL) levels at 1 month and 1 year after intervention, respectively. Notably, these effects were independent of weight loss. Conclusions: Initiating a structured PLM from the early stages of patients’ preparation for RYGB could enhance and extend the benefits of weight loss and positively impact micronutrient (vitamin D, phosphorus, and folic acid) status in obese patients.
Pregnancy Cholesterol Metabolism Markers and the Risk of Gestational Diabetes Mellitus: A Nested Case-Control Study
Authors: Li Yan , Wu Yuanjue , Ge Yanyan , Huang Shanshan , Yang Yang , Zhang Zhen , Cui Ningning , Yan Junan , Li Yonggang , Luo Ping , Hao Liping , Xiong Guoping , Yang Xuefeng
Published: August 2023

This study aims to determine the association of pregnancy cholesterol metabolism markers with gestational diabetes mellitus (GDM) risk. We performed a nested case–control study in the Tongji Birth Cohort. GDM was diagnosed according to the 75 g 2 h oral glucose tolerance test (OGTT) at 24–28 gestational weeks. Nine cholesterol metabolism markers were detected using gas chromatography-mass spectrometry. Conditional logistic regression models were conducted. A total of 444 pregnant women were matched in a 1:2 ratio. The cholestanolTC and β-sitosterolTC in cholesterol absorption markers presented negative associations with the risks of GDM (adjusted OR: 0.77, 95% CI: 0.61–0.96; adjusted OR: 0.80, 95% CI: 0.64–1.00). The desmosterolTC in cholesterol synthesis markers were positively associated with the risks of GDM (adjusted OR: 1.25, 95% CI: 1.00–1.56), similar in the ratios of cholesterol synthesis to absorption markers. After adjustment for insulin or HOMA-IR, these effects were reduced. In conclusion, higher cholesterol synthesis and lower cholesterol absorption marker levels in the first pregnancy are associated with a higher risk of GDM, and insulin resistance may play a vital role in this association.
Dietary Approach of Patients with Hormone-Related Cancer Based on the Glycemic Index and Glycemic Load Estimates
Authors: Peppa Melpomeni , Manta Aspasia , Mavroeidi Ioanna , Nastos Constantinos , Pikoulis Emmanouil , Syrigos Konstantinos , Bamias Aristotelis
Published: August 2023

Hormone-related cancers, namely breast, endometrial, cervical, prostate, testicular, and thyroid, constitute a specific group of cancers dependent on hormone levels that play an essential role in cancer growth. In addition to the traditional risk factors, diet seems to be an important environmental factor that partially explains the steadily increased prevalence of this group of cancer. The composition of food, the dietary patterns, the endocrine-disrupting chemicals, and the way of food processing and preparation related to dietary advanced glycation end-product formation are all related to cancer. However, it remains unclear which specific dietary components mediate this relationship. Carbohydrates seem to be a risk factor for cancer in general and hormone-related cancers, in particular, with a difference between simple and complex carbohydrates. Glycemic index and glycemic load estimates reflect the effect of dietary carbohydrates on postprandial glucose concentrations. Several studies have investigated the relationship between the dietary glycemic index and glycemic load estimates with the natural course of cancer and, more specifically, hormone-related cancers. High glycemic index and glycemic load diets are associated with cancer development and worse prognosis, partially explained by the adverse effects on insulin metabolism, causing hyperinsulinemia and insulin resistance, and also by inflammation and oxidative stress induction. Herein, we review the existing data on the effect of diets focusing on the glycemic index and glycemic load estimates on hormone-related cancers.
Relationship between Bladder Cancer, Nutritional Supply, and Treatment Strategies: A Comprehensive Review
Authors: Yang Fan , Liu Guanmo , Wei Jiaxin , Dong Yucheng , Zhang Xuebin , Zheng Yongchang
Published: August 2023

Bladder cancer (BC) is the predominant neoplasm affecting the urinary system and ranks among the most widespread malignancies globally. The causes of bladder cancer include genetic factors; age; sex; and lifestyle factors, such as imbalanced nutrition, obesity, and metabolic disorders. The lack of proper nutrient intake leads to the development of bladder cancer because insufficient nutrients are consumed to prevent this disease. The purpose of this review was to analyze the nutrients closely linked to the onset and advancement of bladder cancer and to explore the relationship between dietary nutrients and bladder cancer. Particular emphasis was placed on nutrients that are frequently ingested in daily life, including sugar, fat, protein, and others. The focus of this research was to analyze how nutritional intake before and after surgery affects the recovery process of patients who have been diagnosed with bladder cancer. This article seeks to increase awareness among both society and the medical community about the significance of implementing appropriate dietary nutrition to reduce the chances of developing bladder cancer, enhance perioperative care for patients with bladder cancer, and aid in their recuperation.
The Importance of Antioxidant Activity for the Health-Promoting Effect of Lycopene
Authors: Kulawik Anna , Cielecka-Piontek Judyta , Zalewski Przemysław
Published: August 2023

Lycopene is a compound of colored origin that shows strong antioxidant activity. The positive effect of lycopene is the result of its pleiotropic effect. The ability to neutralize free radicals via lycopene is one of the foundations of its pro-health effect, including the ability to inhibit the development of many civilization diseases. Therefore, this study focuses on the importance of the antioxidant effect of lycopene in inhibiting the development of diseases such as cardiovascular diseases, diseases within the nervous system, diabetes, liver diseases, and ulcerative colitis. According to the research mentioned, lycopene supplementation has significant promise for the treatment of illnesses marked by chronic inflammation and oxidative stress. However, the majority of the supporting data for lycopene′s health benefits comes from experimental research, whereas the evidence from clinical studies is both scarcer and less certain of any health benefits. Research on humans is still required to establish its effectiveness.
Ammonia and Nematode Ascaroside Are Synergistic in Trap Formation in Arthrobotrys oligospora
Authors: Huang Jinrong , Zheng Xi , Tian Mengqing , Zhang Keqin
Published: August 2023

Nematode-trapping (NT) fungi are natural predators of the soil living nematodes. Diverse external signals mediate the generation of predatory devices of NT fungi. Among these, broad ascarosides and nitrogenous ammonia are highly efficient inducers for trap structure initiation. However, the overlay effect of ammonia and ascaroside on the trap morphogenesis remains unclear. This study demonstrated that the combination of nitrogenous substances with nematode-derived ascarosides led to higher trap production compared to the single inducing cues; notably, ammonia and Ascr#18 had the most synergistic effect on the trap in A. oligospora. Further, the deletion of ammonia transceptor Amt43 blocked trap formation against ammonia addition in A. oligospora but not for the ascaroside Ascr#18 induction. Moreover, ammonia addition could promote plasma endocytosis in the process of trap formation. In contrast, ascaroside addition would facilitate the stability of intracellular organization away from endocytosis. Therefore, there is a synergistic effect on trap induction from different nitrogenous and ascaroside signals.
Neuroprotective Properties of Oleanolic Acid—Computational-Driven Molecular Research Combined with In Vitro and In Vivo Experiments
Authors: Stępnik Katarzyna , Kukula-Koch Wirginia , Plazinski Wojciech , Rybicka Magda , Gawel Kinga
Published: August 2023

Oleanolic acid (OA), as a ubiquitous compound in the plant kingdom, is studied for both its neuroprotective and neurotoxic properties. The mechanism of acetylcholinesterase (AChE) inhibitory potential of OA is investigated using molecular dynamic simulations (MD) and docking as well as biomimetic tests. Moreover, the in vitro SH-SY5Y human neuroblastoma cells and the in vivo zebrafish model were used. The inhibitory potential towards the AChE enzyme is examined using the TLC-bioautography assay (the IC50 value is 9.22 μM). The CH-π interactions between the central fragment of the ligand molecule and the aromatic cluster created by the His440, Phe288, Phe290, Phe330, Phe331, Tyr121, Tyr334, Trp84, and Trp279 side chains are observed. The results of the in vitro tests using the SH-SY5Y cells indicate that the viability rate is reduced to 71.5%, 61%, and 43% at the concentrations of 100 µg/mL, 300 µg/mL, and 1000 µg/mL, respectively, after 48 h of incubation, whereas cytotoxicity against the tested cell line with the IC50 value is 714.32 ± 32.40 µg/mL. The in vivo tests on the zebrafish prove that there is no difference between the control and experimental groups regarding the mortality rate and morphology (p > 0.05).
Rational Design, Synthesis, and Evaluation of Fluorescent CB2 Receptor Ligands for Live-Cell Imaging: A Comprehensive Review
Authors: Bhattacharjee Pinaki , Iyer Malliga R.
Published: August 2023

The cannabinoid receptors CB1 and CB2 are class A G protein-coupled receptors (GPCRs) that are activated via endogenous lipids called endocannabinoids. The endocannabinoid system (ECS) plays a critical role in the regulation of several physiological states and a wide range of diseases. In recent years, drug discovery approaches targeting the cannabinoid type 2 receptor (CB2R) have gained prominence. Particular attention has been given to selective agonists targeting the CB2 receptors to circumvent the neuropsychotropic side effects associated with CB1 receptors. The pharmacological modulation of CB2R holds therapeutic promise for various diseases, such as inflammatory disorders and immunological conditions, as well as pain management and cancer treatment. Recently, the utilization of fluorescent probes has emerged as a valuable technique for investigating the interactions between ligands and proteins at an exceptional level of spatial and temporal precision. In this review, we aim to examine the progress made in the development of fluorescent probes targeting CB2 receptors and highlight their significance in facilitating the successful clinical translation of CB2R-based therapies.