bluuebunny/crossref_metadata_2025 huggingface dataset:
Non-Surgical Transversal Dentoalveolar Compensation with Completely Customized Lingual Appliances versus Surgically Assisted Rapid Palatal Expansion in Adults—Tipping or Translation in Posterior Crossbite Correction?
Authors: Schmid Jonas Q. , Gerberding Elena , Hohoff Ariane , Kleinheinz Johannes , Stamm Thomas , Middelberg Claudius
Published: May 2023

The aim of this study was to investigate buccolingual tooth movements (tipping/translation) in surgical and nonsurgical posterior crossbite correction. A total of 43 patients (f/m 19/24; mean age 27.6 ± 9.5 years) treated with surgically assisted rapid palatal expansion (SARPE) and 38 patients (f/m 25/13; mean age 30.4 ± 12.9 years) treated with dentoalveolar compensation using completely customized lingual appliances (DC-CCLA) were retrospectively included. Inclination was measured on digital models at canines (C), second premolars (P2), first molars (M1), and second molars (M2) before (T0) and after (T1) crossbite correction. There was no statistically significant difference (p > 0.05) in absolute buccolingual inclination change between both groups, except for the upper C (p < 0.05), which were more tipped in the surgical group. Translation, i.e., bodily tooth movements that cannot be explained by pure uncontrolled tipping, could be observed with SARPE in the maxilla and with DC-CCLA in both jaws. Dentoalveolar transversal compensation with completely customized lingual appliances does not cause greater buccolingual tipping compared to SARPE.
Lifestyle Trajectories Are Associated with Incidence of Cardiovascular Disease: Highlights from the ATTICA Epidemiological Cohort Study (2002–2022)
Authors: Damigou Evangelia , Kouvari Matina , Chrysohoou Christina , Barkas Fotios , Kravvariti Evrydiki , Pitsavos Christos , Skoumas John , Michelis Evangelinos , Liberopoulos Evangelos , Tsioufis Costas , Sfikakis Petros P. , Panagiotakos Demosthenes B.
Published: May 2023

The study aimed to assess the trajectories of lifestyle characteristics and their association with 20-year cardiovascular disease (CVD) incidence. In 2002, 3042 Greek adults (aged: 45 (12) years) free of CVD were enrolled. In 2022, the 20-year follow-up was performed on 2169 participants; of those, 1988 had complete data for CVD. The 20-year CVD incidence was 3600 cases/10,000 individuals; the man-to-woman ratio was 1.25, with the peak difference in the 35–45 age group (i.e., 2.1); however, a reversal of the trend was observed in the age-groups 55–65 and 65–75, with a resumption of an almost equal incidence in those >75 years. In multi-adjusted analysis, age, sex, abnormal waist circumference, hypercholesterolemia, hypertension, and diabetes were positively associated with 20-year CVD risk, explaining 56% of the excess CVD risk, whereas an additional 30% was attributed to lifestyle trajectories; being physically active throughout life-course and being close to the Mediterranean diet were protective, while continuous smoking was detrimental against CVD risk. Mediterranean diet adherence protected against CVD development even if not sustained, while quitting smoking or engaging in physical activities during the 20-year observation did not offer any significant protection. A life-course personalized approach that is cost-effective and long-term sustained is needed to prevent CVD burden.
(η5-Pentamethylcyclopentadienyl)iridium{1,3-bis(2,3,4,5,6-pentafluorobenzyl)imidazolin-2-ylidene}dichloride
Authors: Bandaru Sravan K. , Marr Andrew C. , Saunders Graham C.
Published: May 2023

In this paper, we report (η5-pentamethylcyclopentadienyl)iridium{1,3-bis(2,3,4,5,6-pentafluorobenzyl)imidazolin-2-ylidene}dichloride, 2, synthesized using a silver transfer agent generated from 1,3-bis(2,3,4,5,6-pentafluorobenzyl)imidazolium bromide. Compound 2 was characterized using 1H and 19F NMR spectroscopy and mass spectrometry, and its structure was determined in a single-crystal X-ray diffraction study.
Generalized Data–Driven Predictive Control: Merging Subspace and Hankel Predictors
Authors: Lazar M. , Verheijen P. C. N.
Published: May 2023

Data–driven predictive control (DPC) is becoming an attractive alternative to model predictive control as it requires less system knowledge for implementation and reliable data is increasingly available in smart engineering systems. Two main approaches exist within DPC: the subspace approach, which estimates prediction matrices (unbiased for large data) and the behavioral, data-enabled approach, which uses Hankel data matrices for prediction (allows for optimizing the bias/variance trade–off). In this paper we develop a novel, generalized DPC (GDPC) algorithm by merging subspace and Hankel predictors. The predicted input sequence is defined as the sum of a known, baseline input sequence, and an optimized input sequence. The corresponding baseline output sequence is computed using an unbiased, subspace predictor, while the optimized predicted output sequence is computed using a Hankel matrix predictor. By combining these two types of predictors, GDPC can achieve high performance for noisy data even when using a small Hankel matrix, which is computationally more efficient. Simulation results for a benchmark example from the literature show that GDPC with a reduced size Hankel matrix can match the performance of data–enabled predictive control with a larger Hankel matrix in the presence of noisy data.
Formulation of Impulsive Ecological Systems Using the Conformable Calculus Approach: Qualitative Analysis
Authors: Martynyuk Anatoliy , Stamov Gani , Stamova Ivanka , Gospodinova Ekaterina
Published: May 2023

In this paper, an impulsive conformable fractional Lotka–Volterra model with dispersion is introduced. Since the concept of conformable derivatives avoids some limitations of the classical fractional-order derivatives, it is more suitable for applied problems. The impulsive control approach which is common for population dynamics’ models is applied and fixed moments impulsive perturbations are considered. The combined concept of practical stability with respect to manifolds is adapted to the introduced model. Sufficient conditions for boundedness and generalized practical stability of the solutions are obtained by using an analogue of the Lyapunov function method. The uncertain case is also studied. Examples are given to demonstrate the effectiveness of the established results.
Composite Membrane Containing Titania Nanofibers for Battery Separators Used in Lithium-Ion Batteries
Authors: Lee Hun , Lee Deokwoo
Published: May 2023

In order to improve the electrochemical performance of lithium-ion batteries, a new kind of composite membrane made using inorganic nanofibers has been developed via electrospinning and the solvent-nonsolvent exchange process. The resultant membranes present free-standing and flexible properties and have a continuous network structure of inorganic nanofibers within polymer coatings. Results show that polymer-coated inorganic nanofiber membranes have better wettability and thermal stability than those of a commercial membrane separator. The presence of inorganic nanofibers in the polymer matrix enhances the electrochemical properties of battery separators. This results in lower interfacial resistance and higher ionic conductivity, leading to the good discharge capacity and cycling performance of battery cells assembled using polymer-coated inorganic nanofiber membranes. This provides a promising solution via which to improve conventional battery separators for the high performance of lithium-ion batteries.
Morphology Control of Metal Pool and Eutectic Carbides in Electroslag Remelted M2 HSS with an External Axial Static Magnetic Field
Authors: Zhao Xuhui , Sun Zhonghao , Xia Zhibin , Liu Chunmei , Shen Zhe , Ding Biao , Zheng Tianxiang , Guo Yifeng , Li Qiang , Zhong Yunbo
Published: May 2023

This study investigates the influence of a superimposed axial static magnetic field (ASMF) on the morphology of metal pool and eutectic carbides (ECs) in electroslag remelted M2 high-speed steel (HSS). The application of ASMF caused the metal pool to become shallower, and the solidified structure to expand axially, along with finer (i.e., more uniformly distributed and crystallographically oriented) ECs. Lorentz force-driven unidirectional circulation in slag pool was the primary cause of the metal pool’s morphological adjustment; this resulted in a more homogenous temperature distribution in slag pool. Thus, the heat transfer from the slag pool to the metal pool became more uniform, creating a metal pool that is shallower. Additionally, local solidification time (LST) became shorter, while the number of (Ti, V)N-Al2O3 inclusions serving as heterogeneous nuclei for EC formation increased due to ASMF, enabling finer EC with more crystallographic orientations in ESR ingots.
Determination of Corrosion Resistance of High-Silicon Ductile Iron Alloyed with Nb
Authors: Muñiz Valdez Carlos Rodrigo , García Navarro Daniel , Galindo Valdés Jesús Salvador , Montes González Félix Alan , Almanza Casas Efrain , Rodríguez Rosales Nelly Abigail
Published: May 2023

In this study, the effects of Nb on the microstructural characteristics, hardness, and corrosion resistance of high-silicon ductile cast iron (HSDI)-3.6 wt.% Si were investigated. Samples from different castings with 0–0.9 wt.% Nb were obtained and compared to a commercial ductile iron. Microstructures showed that the amount of ferrite in the matrix increased with increasing Nb content, from 34% for unalloyed HSDI to 88% for HSDI-0.9 wt.% Nb. The presence of randomly distributed NbC carbides was identified by EDX for all the samples alloyed with Nb, and the hardness of the HSDI increased with the Nb content. To evaluate the influence of the Nb content on the corrosion resistance of HSDI, potentiodynamic tests were carried out in a solution of H2SO4. The highest corrosion rate on HSDI was obtained for the HSDI-0.3 wt.% Nb sample, with 2802 mills per year, due to the amount of pearlite present and the lowest presence of NbC carbides, compared to the HSDI-0.9 wt.% Nb, with 986 mills per year. This behavior was attributed to the ferrite matrix obtained because of a high Si content in the DI, which delayed the anodic dissolution of the alloy and suppressed the pearlitizing effect of Nb for contents greater than 0.3 wt.%, as well as to the effect of NbC carbides, which acted as inhibitors.
Positive Effects of Probiotic Therapy in Patients with Post-Infectious Fatigue
Authors: Obermoser Katharina , Brigo Natascha , Schroll Andrea , Monfort-Lanzas Pablo , Gostner Johanna M. , Engl Sabine , Geisler Simon , Knoll Miriam , Schennach Harald , Weiss Günter , Fuchs Dietmar , Bellmann-Weiler Rosa , Kurz Katharina
Published: May 2023

Post-infectious fatigue is a common complication that can lead to decreased physical efficiency, depression, and impaired quality of life. Dysbiosis of the gut microbiota has been proposed as a contributing factor, as the gut–brain axis plays an important role in regulating physical and mental health. This pilot study aimed to investigate the severity of fatigue and depression, as well as the quality of life of 70 patients with post-infectious fatigue who received a multi-strain probiotic preparation or placebo in a double-blind, placebo-controlled trial. Patients completed questionnaires to assess their fatigue (fatigue severity scale (FSS)), mood (Beck Depression Inventory II (BDI-II)), and quality of life (short form-36 (SF-36)) at baseline and after 3 and 6 months of treatment. Routine laboratory parameters were also assessed, including immune-mediated changes in tryptophan and phenylalanine metabolism. The intervention was effective in improving fatigue, mood, and quality of life in both the probiotic and placebo groups, with greater improvements seen in the probiotic group. FSS and BDI-II scores declined significantly under treatment with both probiotics and placebo, but patients who received probiotics had significantly lower FSS (p < 0.001) and BDI-II (p < 0.001) scores after 6 months. Quality of life scores improved significantly in patients who received probiotics (p < 0.001), while patients taking a placebo only saw improvements in the “Physical limitation” and “Energy/Fatigue” subcategories. After 6 months neopterin was higher in patients receiving placebo, while no longitudinal changes in interferon-gamma mediated biochemical pathways were observed. These findings suggest that probiotics may be a promising intervention for improving the health of patients with post-infectious fatigue, potentially through modulating the gut–brain axis.
Metabolome Profiling and Pathway Analysis in Metabolically Healthy and Unhealthy Obesity among Chinese Adolescents Aged 11–18 Years
Authors: Tong Lingling , Tian Mei , Ma Xiaoyan , Bai Ling , Zhou Jinyu , Ding Wenqing
Published: May 2023

The underlying mechanisms of the development of unhealthy metabolic phenotypes in obese children and adolescents remain unclear. We aimed to screen the metabolomes of individuals with the unhealthy obesity phenotype and identify the potential metabolic pathways that could regulate various metabolic profiles of obesity in Chinese adolescents. A total of 127 adolescents aged 11–18 years old from China were investigated using a cross-sectional study. The participants were classified as having metabolically healthy obesity (MHO) or metabolically unhealthy obesity (MUO) based on the presence/absence of metabolic abnormalities defined by metabolic syndrome (MetS) and body mass index (BMI). Serum-based metabolomic profiling using gas chromatography–mass spectrometry (GC–MS) was undertaken on 67 MHO and 60 MUO individuals. ROC analyses showed that palmitic acid, stearic acid, and phosphate could predict MUO, and that glycolic acid, alanine, 3-hydroxypropionic acid, and 2-hydroxypentanoic acid could predict MHO (all p < 0.05) from selected samples. Five metabolites predicted MUO, 12 metabolites predicted MHO in boys, and only two metabolites predicted MUO in girls. Moreover, several metabolic pathways may be relevant in distinguishing the MHO and MUO groups, including the fatty acid biosynthesis, fatty acid elongation in mitochondria, propanoate metabolism, glyoxylate and dicarboxylate metabolism, and fatty acid metabolism pathways. Similar results were observed for boys except for phenylalanine, tyrosine and tryptophan biosynthesis, which had a high impact [0.098]. The identified metabolites and pathways could be efficacious for investigating the underlying mechanisms of the development of different metabolic phenotypes in obese Chinese adolescents.
Chromosomal Instability Causes Sensitivity to Polyamines and One-Carbon Metabolism
Authors: Islam Anowarul , Shaukat Zeeshan , Newman David L. , Hussain Rashid , Ricos Michael G. , Dibbens Leanne , Gregory Stephen L.
Published: May 2023

Aneuploidy, or having a disrupted genome, is an aberration commonly found in tumours but rare in normal tissues. It gives rise to proteotoxic stress as well as a stereotypical oxidative shift, which makes these cells sensitive to internal and environmental stresses. Using Drosophila as a model, we investigated the changes in transcription in response to ongoing changes to ploidy (chromosomal instability, CIN). We noticed changes in genes affecting one-carbon metabolism, specifically those affecting the production and use of s-adenosyl methionine (SAM). The depletion of several of these genes has led to cell death by apoptosis in CIN cells but not in normal proliferating cells. We found that CIN cells are particularly sensitive to SAM metabolism at least partly because of its role in generating polyamines. Feeding animals spermine was seen to rescue the cell death caused by the loss of SAM synthase in CIN tissues. The loss of polyamines led to decreased rates of autophagy and sensitivity to reactive oxygen species (ROS), which we have shown to contribute significantly to cell death in CIN cells. These findings suggest that a well-tolerated metabolic intervention such as polyamine inhibition has the potential to target CIN tumours via a relatively well-characterised mechanism.
Identification and Characterization of Antibiotic-Resistant, Gram-Negative Bacteria Isolated from Korean Fresh Produce and Agricultural Environment
Authors: Jeong Sunyoung , Kim Ile , Kim Bo-Eun , Jeong Myeong-In , Oh Kwang-Kyo , Cho Gyu-Sung , Franz Charles M. A. P.
Published: May 2023

The consumption of fresh produce and fruits has increased over the last few years as a result of increasing consumer awareness of healthy lifestyles. Several studies have shown that fresh produces and fruits could be potential sources of human pathogens and antibiotic-resistant bacteria. In this study, 248 strains were isolated from lettuce and surrounding soil samples, and 202 single isolates selected by the random amplified polymorphic DNA (RAPD) fingerprinting method were further characterized. From 202 strains, 184 (91.2%) could be identified based on 16S rRNA gene sequencing, while 18 isolates (8.9%) could not be unequivocally identified. A total of 133 (69.3%) and 105 (54.7%) strains showed a resistance phenotype to ampicillin and cefoxitin, respectively, while resistance to gentamicin, tobramycin, ciprofloxacin, and tetracycline occurred only at low incidences. A closer investigation of selected strains by whole genome sequencing showed that seven of the fifteen sequenced strains did not possess any genes related to acquired antibiotic resistance. In addition, only one strain possessed potentially transferable antibiotic resistance genes together with plasmid-related sequences. Therefore, this study indicates that there is a low possibility of transferring antibiotic resistance by potential pathogenic enterobacteria via fresh produce in Korea. However, with regards to public health and consumer safety, fresh produce should nevertheless be continuously monitored to detect the occurrence of foodborne pathogens and to hinder the transfer of antibiotic resistance genes potentially present in these bacteria.
High Diversity of Bradyrhizobial Species Fix Nitrogen with Woody Legume Spartocytisus supranubius in a High Mountain Ecosystem
Authors: Pulido-Suárez Laura , Notario del Pino Jesús , Díaz-Peña Francisco J. , Perdomo-González Adolfo , González-Rodríguez Águeda M. , León-Barrios Milagros
Published: May 2023

The symbiosis between rhizobia and legumes is of pivotal importance in nitrogen-poor ecosystems. Furthermore, as it is a specific process (most legumes only establish a symbiosis with certain rhizobia), it is of great interest to know which rhizobia are able to nodulate key legumes in a specific habitat. This study describes the diversity of the rhizobia that are able to nodulate the shrub legume Spartocytisus supranubius in the harsh environmental conditions of the high mountain ecosystem of Teide National Park (Tenerife). The diversity of microsymbionts nodulating S. supranubius was estimated from a phylogenetic analysis of root nodule bacteria isolated from soils at three selected locations in the park. The results showed that a high diversity of species of Bradyrhizobium and two symbiovars can nodulate this legume. Phylogenies of ribosomal and housekeeping genes showed these strains distributed into three main clusters and a few isolates on separate branches. These clusters consist of strains representing three new phylogenetic lineages of the genus Bradyrhizobium. Two of these lineages belong to the B. japonicum superclade, which we refer to as B. canariense-like and B. hipponense-like, as the type strains of these species are the closest species to our isolates. The third main group was clustered within the B. elkanii superclade and is referred to as B. algeriense-like as B. algeriense is its closest species. This is the first time that bradyrhizobia of the B. elkanii superclade have been reported for the canarian genista. Furthermore, our results suggest that these three main groups might belong to potential new species of the genus Bradyrhizobium. Analysis of the soil physicochemical properties of the three study sites showed some significant differences in several parameters, which, however, did not have a major influence on the distribution of bradyrhizobial genotypes at the different locations. The B. algeriense-like group had a more restrictive distribution pattern, while the other two lineages were detected in all of the soils. This suggests that the microsymbionts are well adapted to the harsh environmental conditions of Teide National Park.
Development of the Neonatal Intestinal Barrier, Microbiome, and Susceptibility to NEC
Authors: Golubkova Alena , Hunter Catherine J.
Published: May 2023

The function of the intestinal barrier is partially dependent on host maturity and the colonization patterns of the microbiome to which it is exposed. Premature birth and stressors of neonatal intensive care unit (NICU)-related support (e.g., antibiotics, steroids, etc.) can alter the host internal environment resulting in changes in the intestinal barrier. Pathogenic microbial proliferation and breach of the immature intestinal barrier are proposed to be crucial steps in the development of neonatal diseases such as necrotizing enterocolitis. This article will review the current literature on the intestinal barrier in the neonatal gut, the consequences of microbiome development for this defense system, and how prematurity can influence neonatal susceptibility to gastrointestinal infection.
Influence of Liquid CO2 Extraction and Dissolution on Coal Adsorption Characteristics
Authors: Wang Hu , Wen Hu , Li Zhenbao , Mi Wansheng
Published: May 2023

Liquid CO2 is a non-polar fluid, and the injection of CO2 fluid into a coal seam causes a strong water–rock interaction between the inorganic minerals and organic matter in the coal and acidic fluid. The minerals in the coal are thereby corroded and precipitated to different degrees, and the organic matter is dissolved and extracted, which further changes the physical and chemical properties of the coal and rock. Three kinds of coal samples with different metamorphic degrees were selected as the research objects, and the research methods of theoretical analysis and experimental testing were used to carry out the related research on the modification of coal by liquid CO2 extraction and dissolution. After the three kinds of coal samples were extracted by liquid CO2, the pore specific surface area decreased and the CO2 adsorption decreased with the increase in extraction pressure. The reduction in anthracite adsorption was greater than that of bituminous coal and lignite; after being corroded by different CO2 pressures, the adsorption capacity of bituminous coal gradually increased with the increase in corrosion pressure, and the increase in adsorption capacity of bituminous coal was larger than that of anthracite and lignite. After corrosion, bituminous coal was suitable for CO2 geological storage.
Zircon U–Pb Dating and Geochemical Characteristics of Chahannuo Gabbros in the Northern Margin of Qaidam Basin, Northern Tibetan Plateau
Authors: Du Wei , Pei Lei , Li Ruibao , Li Zuochen , Liu Chengjun , Wang Mao , Lin Hao , Pei Xianzhi
Published: May 2023

Late Paleozoic–early Mesozoic intrusive rocks are distributed widely along the northern margin of the Qaidam Basin in the northern Tibetan Plateau. To constrain the tectonic evolution, we carried out petrological, chronological, and geochemical studies of the Chahannuo gabbros. LA-ICP-MS Zircon U–Pb dating yields an age of 255.0 ± 0.9 Ma for the gabbros, which confirms the existence of Indosinian tectono-magmatic activity on the northern margin of the Qaidam Basin. The Chahannuo gabbros have low whole-rock SiO2, Fe2O3 contents, and high Al2O3 contents, which suggests a calc-alkaline affinity. In addition, the gabbros have high MgO, Cr, and Ni contents and Mg#, similar to those predicted of the regional basaltic melts, and indicating that they were affected mainly by fluid from the subducted slab. The Chahannuo gabbros are characterized by arc-like trace element patterns, with enrichment in LREE and LILE, and depletion in HREE and HFSE. No obvious negative Eu anomalies also indicate that no significant magmatic differentiation has occurred. The low Nb/La ratio and Ti content in gabbros samples suggests that the Chahannuo gabbros were partially contaminated by the crust during their formation. The Chahannuo gabbros have high incompatible element ratios (Rb/Sr, Th/Nd, and Th/La), which are closer to the category of enriched mantle. Combing our data with previous data from contemporaneous magmatism in the region, we suggest that the Chahannuo gabbros formed in a continental arc environment related to the northward subduction of the Paleo-Tethyan oceanic plate.
Cytotoxic Activity, Topoisomerase I Inhibition and In Silico Studies of New Sesquiterpene-aryl Ester Derivatives of (-) Drimenol
Authors: Araque Ileana , Ramírez Javiera , Vergara Rut , Mella Jaime , Aránguiz Pablo , Espinoza Luis , Vera Waleska , Montenegro Iván , Salas Cristian O. , Villena Joan , Cuellar Mauricio A.
Published: May 2023

In this study, we aimed to evaluate two sets of sesquiterpene-aryl derivatives linked by an ester bond, their cytotoxic activities, and their capacity to activate caspases 3/7 and inhibit human topoisomerase I (TOP1). A total of 13 compounds were synthesized from the natural sesquiterpene (-)-drimenol and their cytotoxic activity was evaluated in vitro against three cancer cell lines: PC-3 (prostate cancer), HT-29 (colon cancer), MCF-7 (breast cancer), and an immortalized non-tumoral cell line (MCF-10). From the results, it was observed that 6a was the most promising compound due to its cytotoxic effect on three cancer cell lines and its selectivity, 6a was 100-fold more selective than 5-FU in MCF-7 and 20-fold in PC-3. It was observed that 6a also induced apoptosis by caspases 3/7 activity using a Capsase-Glo-3/7 assay kit and inhibited TOP1. A possible binding mode of 6a in a complex with TOP1-DNA was proposed by docking and molecular dynamics studies. In addition, 6a was predicted to have a good pharmacokinetic profile for oral administration. Therefore, through this study, it was demonstrated that the drimane scaffold should be considered in the search of new antitumoral agents.
Strictinin: A Key Ingredient of Tea
Authors: Tzen Jason T. C.
Published: May 2023

Strictinin is a relatively tiny ellagitannin, which is found in many plants as a minor constituent. Catechins are known as the major constituents in the young leaves of most tea plants, while strictinin was found as a major constituent in the Pu’er tea plant. In some Pu’er tea varieties, strictinin was identified as the most abundant phenolic compound rather than catechins. In the past decade, strictinin was demonstrated to possess several functional activities, including antiviral, antibacterial, anti-obesity, laxative, anticaries, anti-allergic, antipsoriatic, antihyperuricemia, antidiabetic, and anticancer effects. These functional activities were in accordance with the therapeutic effects empirically perceived for Pu’er tea. Evidently, strictinin is the key ingredient in Pu’er tea that acts as a herbal medicine. In functionally-based applications, an instant powder of Pu’er tea infusion was formulated as an active raw material to be supplemented in food, cosmetics, and beverages; a new type of tea named Bitter Citrus Tzen Tea was developed by combining three teas empirically consumed to expel the cold, and new edible oral care products were designed for caries prevention by supplementation with Pu’er tea extract. More functional activities and practical applications of strictinin are scientifically anticipated in follow-up research.
Modelling the Encapsulation of 3-Hydroxyflavone with Cyclodextrin and Octa Acid and Comparing Their Differences
Authors: Fan Ka Wa , Luk Hoi Ling , Phillips David Lee
Published: May 2023

The 3-hydroxyflavone (3-HF) is one of the common fluorescence probes. It has two distinct fluorescence bands: normal form and tautomer form. However, 3-hydroxyflavone has poor performance in water because of hydrogen bonding perturbation. The utilization of supramolecular chemistry would improve the fluorescence performance of 3-hydroxyflavone in water. In this paper, it reviews supramolecular chemistry of 3-hydroxyflavone with cyclodextrin and octa acid. Past research has found that the addition of β-cyclodextrin to 3-hydroxyflavone in water would slightly improve the fluorescence intensity of the tautomer form. When adding γ-cyclodextrin to 3-hydroxyflavone in water, the green fluorescence intensity would be enhanced. Finally, the addition of octa acid creates a dry environment for the 3-hydroxyflavone, and it would only have a tautomer form. The ONIOM calculation shows the ways of self-assembly of β- and γ-cyclodextrin. It can explain the difference in ratio between the tautomer form and normal form after understanding the interaction.
Fingerprinting Chemical Markers in the Mediterranean Orange Blossom Honey: UHPLC-HRMS Metabolomics Study Integrating Melissopalynological Analysis, GC-MS and HPLC-PDA-ESI/MS
Authors: Kasiotis Konstantinos M. , Baira Eirini , Iosifidou Styliani , Manea-Karga Electra , Tsipi Despina , Gounari Sofia , Theologidis Ioannis , Barmpouni Theodora , Danieli Pier Paolo , Lazzari Filippo , Dipasquale Daniele , Petrarca Sonia , Shairra Souad , Ghazala Naglaa A. , Abd El-Wahed Aida A. , El-Gamal Seham M. A. , Machera Kyriaki
Published: May 2023

(1) Background: Citrus honey constitutes a unique monofloral honey characterized by a distinctive aroma and unique taste. The non-targeted chemical analysis can provide pivotal information on chemical markers that differentiate honey based on its geographical and botanical origin. (2) Methods: Within the PRIMA project “PLANT-B”, a metabolomics workflow was established to unveil potential chemical markers of orange blossom honey produced in case study areas of Egypt, Italy, and Greece. In some of these areas, aromatic medicinal plants were cultivated to enhance biodiversity and attract pollinators. The non-targeted chemical analysis and metabolomics were conducted using ultra-high-performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS). (3) Results: Forty compounds were disclosed as potential chemical markers, enabling the differentiation of the three orange blossom honeys according to geographical origin. Italian honey showed a preponderance of flavonoids, while in Greek honey, terpenoids and iridoids were more abundant than flavonoids, except for hesperidin. In Egyptian honey, suberic acid and a fatty acid ester derivative emerged as chemical markers. New, for honey, furan derivatives were identified using GC-MS in Greek samples. (4) Conclusions: The application of UHPLC-HRMS metabolomics combined with an elaborate melissopalynological analysis managed to unveil several potential markers of Mediterranean citrus honey potentially associated with citrus crop varieties and the local indigenous flora.
A Series of Polymer-Supported Polyoxometalates as Heterogeneous Photocatalysts for Degradation of Organic Dye
Authors: Yang Fan , He Xiaojiao , Xin Tingting , Yang Huizhen , Bai Lijie , Gao Lihua , Wang Yibo
Published: May 2023

Photocatalytic degradation technology has developed rapidly in the treatment of organic pollutants due to its high efficiency, mild reaction conditions and easy control. In this paper, a series of heterogeneous photocatalysts, BWZ-en-R (BWZ = [BW11Z(H2O)O39]7−, Z = Zn, Cd, Mn, en = ethylenediamine, R = Merrifield resin), were prepared by using ethanediamine as a linker to immobilize Keggin-type transition elements substituting tungstoborates on Merrifield resin and characterized by Fourier transform infrared spectroscopy, X-ray powder diffraction, scanning electron microscopy and energy-dispersive X-ray spectroscopy. The photocatalytic properties of BWZ-en-R (Z = Zn, Cd, Mn) for the degradation of methyl red (MR) were investigated. The results show that the BWZ-en-R (Z = Zn, Cd, Mn) photocatalysts exhibited high photodegradation ability for MR under the irradiation of ultraviolet light, and were easily separated from the reaction media. The maximum degradation rate (%) of MR (40 mL, 25 μM, pH = 2) reached 96.4% for the BWMn-en-R photocatalyst (40 mg) after being irradiated for 30 min, making this a promising photocatalyst candidate for dye degradation. Moreover, the influences of some factors, such as the Z-substituted elements in the BWZ, the BWZ-en-R dosage and the MR initial concentration, on the photocatalytic degradation rate of MR were also examined.
Erlotinib-Loaded Dendrimer Nanocomposites as a Targeted Lung Cancer Chemotherapy
Authors: Fatani Wafa K. , Aleanizy Fadilah S. , Alqahtani Fulwah Y. , Alanazi Mohammed M. , Aldossari Abdullah A. , Shakeel Faiyaz , Haq Nazrul , Abdelhady Hosam , Alkahtani Hamad M. , Alsarra Ibrahim A.
Published: May 2023

Lung cancer is the main cause of cancer-related mortality globally. Erlotinib is a tyrosine kinase inhibitor, affecting both cancerous cell proliferation and survival. The emergence of oncological nanotechnology has provided a novel drug delivery system for erlotinib. The aims of this current investigation were to formulate two different polyamidoamine (PAMAM) dendrimer generations—generation 4 (G4) and generation 5 (G5) PAMAM dendrimer—to study the impact of two different PAMAM dendrimer formulations on entrapment by drug loading and encapsulation efficiency tests; to assess various characterizations, including particle size distribution, polydispersity index, and zeta potential; and to evaluate in vitro drug release along with assessing in situ human lung adenocarcinoma cell culture. The results showed that the average particle size of G4 and G5 nanocomposites were 200 nm and 224.8 nm, with polydispersity index values of 0.05 and 0.300, zeta potential values of 11.54 and 4.26 mV of G4 and G5 PAMAM dendrimer, respectively. Comparative in situ study showed that cationic G4 erlotinib-loaded dendrimer was more selective and had higher antiproliferation activity against A549 lung cells compared to neutral G5 erlotinib-loaded dendrimers and erlotinib alone. These conclusions highlight the potential effect of cationic G4 dendrimer as a targeting-sustained-release carrier for erlotinib.
Design, Synthesis and Biological Evaluation of Novel Pleuromutilin Derivatives Containing 6-Chloro-1-R-1H-pyrazolo[3,4-d]pyrimidine-4-amino Side Chain
Authors: Wang Jun , Hu Yu-Han , Zhou Ke-Xin , Wang Wei , Li Fei , Li Ke , Zhang Guang-Yu , Tang You-Zhi
Published: May 2023

Two series of pleuromutilin derivatives were designed and synthesized as inhibitors against Staphylococcus aureus (S. aureus). 6-chloro-4-amino-1-R-1H-pyrazolo[3,4-d]pyrimidine or 4-(6-chloro-1-R-1H-pyrazolo[3,4-d]pyrimidine-4-yl)amino-phenylthiol were connected to pleuromutilin. A diverse array of substituents was introduced at the N-1 position of the pyrazole ring. The in vitro antibacterial activities of these semisynthetic derivatives were evaluated against two standard strains, Methicillin-resistant Staphylococcus aureus (MRSA) ATCC 43300, Staphylococcus aureus (S. aureus), ATCC 29213 and two clinical S. aureus strains (144, AD3) using the broth dilution method. Compounds 12c, 19c and 22c (MIC = 0.25 μg/mL) manifested good in vitro antibacterial ability against MRSA which was similar to that of tiamulin (MIC = 0.5 μg/mL). Among them, compound 22c killed MRSA in a time-dependent manner and performed faster bactericidal kinetics than tiamulin in time–kill curves. In addition, compound 22c exhibited longer PAE than tiamulin, and showed no significant inhibition on the cell viability of RAW 264.7, Caco-2 and 16-HBE cells at high doses (≤8 μg/mL). The neutropenic murine thigh infection model study revealed that compound 22c displayed more effective in vivo bactericidal activity than tiamulin in reducing MRSA load. The molecular docking studies indicated that compound 22c was successfully localized inside the binding pocket of 50S ribosomal, and four hydrogen bonds played important roles in the binding of them.
The Distinctive Permutated Domain Structure of Periplasmic α-Amylase (MalS) from Glycoside Hydrolase Family 13 Subfamily 19
Authors: An Yan , Tran Phuong Lan , Yoo Min-Jee , Song Hyung-Nam , Park Kwang-Hyun , Kim Tae-Jip , Park Jong-Tae , Woo Eui-Jeon
Published: May 2023

Periplasmic α-amylase MalS (EC. 3.2.1.1), which belongs to glycoside hydrolase (GH) family 13 subfamily 19, is an integral component of the maltose utilization pathway in Escherichia coli K12 and used among Ecnterobacteriaceae for the effective utilization of maltodextrin. We present the crystal structure of MalS from E. coli and reveal that it has unique structural features of circularly permutated domains and a possible CBM69. The conventional C-domain of amylase consists of amino acids 120–180 (N-terminal) and 646–676 (C-terminal) in MalS, and the whole domain architecture shows the complete circular permutation of C-A-B-A-C in domain order. Regarding substrate interaction, the enzyme has a 6-glucosyl unit pocket binding it to the non-reducing end of the cleavage site. Our study found that residues D385 and F367 play important roles in the preference of MalS for maltohexaose as an initial product. At the active site of MalS, β-CD binds more weakly than the linear substrate, possibly due to the positioning of A402. MalS has two Ca2+ binding sites that contribute significantly to the thermostability of the enzyme. Intriguingly, the study found that MalS exhibits a high binding affinity for polysaccharides such as glycogen and amylopectin. The N domain, of which the electron density map was not observed, was predicted to be CBM69 by AlphaFold2 and might have a binding site for the polysaccharides. Structural analysis of MalS provides new insight into the structure–evolution relationship in GH13 subfamily 19 enzymes and a molecular basis for understanding the details of catalytic function and substrate binding of MalS.
Effect of MnxOy Nanoparticles Stabilized with Methionine on Germination of Barley Seeds (Hordeum vulgare L.)
Authors: Blinov Andrey , Gvozdenko Alexey , Golik Alexey , Siddiqui Shahida A. , Göğüş Fahrettin , Blinova Anastasiya , Maglakelidze David , Shevchenko Irina , Rebezov Maksim , Nagdalian Andrey
Published: May 2023

The aim of this research was to study the effect of MnxOy nanoparticles stabilized with L-methionine on the morphofunctional characteristics of the barley (Hordeum vulgare L.) crop. MnxOy nanoparticles stabilized with L-methionine were synthesized using potassium permanganate and L-methionine. We established that MnxOy nanoparticles have a diameter of 15 to 30 nm. According to quantum chemical modeling and IR spectroscopy, it is shown that the interaction of MnxOy nanoparticles with L-methionine occurs through the amino group. It is found that MnxOy nanoparticles stabilized with L-methionine have positive effects on the roots and seedling length, as well as the seed germination energy. The effect of MnxOy nanoparticles on Hordeum vulgare L. seeds is nonlinear. At a concentration of 0.05 mg/mL, there was a statistically significant increase in the length of seedlings by 68% compared to the control group. We found that the root lengths of samples treated with MnxOy nanoparticle sols with a concentration of 0.05 mg/mL were 62.8%, 32.7%, and 158.9% higher compared to samples treated with L-methionine, KMnO4, and the control sample, respectively. We have shown that at a concentration of 0.05 mg/mL, the germination energy of seeds increases by 50.0% compared to the control sample, by 10.0% compared to the samples treated with L-methionine, and by 13.8% compared to the samples treated with KMnO4.
Carbonization of Biopolymers as a Method for Producing a Photosensitizing Additive for Energy Materials
Authors: Ilyushin Mikhail Alekseevich , Voznyakovskii Alexander Petrovich , Shugalei Irina , Vozniakovskii Aleksei Alexandrovich
Published: May 2023

It has been shown that defect-free Stone–Wales (SW) free few-layer graphene (FLG) can be obtained by carbonizing lignin under conditions of self-propagating high-temperature synthesis (SHS). The obtained few-layer graphene was used as a modifying additive for pyrotechnic compositions. It was found that the addition of 2.5 mass % of few-layer graphene synthesized from lignin to a pyrotechnic complex based on porous silicon and fluoropolymer leads to a significant increase in the combustion intensity of pyrotechnic compositions.
Effect of High Fat Diet on Disease Development of Polycystic Ovary Syndrome and Lifestyle Intervention Strategies
Authors: Han Yingxue , Wu Hao , Sun Siyuan , Zhao Rong , Deng Yifan , Zeng Shenming , Chen Juan
Published: May 2023

Polycystic ovary syndrome (PCOS) is a prevalent endocrine and metabolic disorder that affects premenopausal women. The etiology of PCOS is multifaceted, involving various genetic and epigenetic factors, hypothalamic–pituitary–ovarian dysfunction, androgen excess, insulin resistance, and adipose-related mechanisms. High-fat diets (HFDs) has been linked to the development of metabolic disorders and weight gain, exacerbating obesity and impairing the function of the hypothalamic–pituitary–ovarian axis. This results in increased insulin resistance, hyperinsulinemia, and the release of inflammatory adipokines, leading to heightened fat synthesis and reduced fat breakdown, thereby worsening the metabolic and reproductive consequences of PCOS. Effective management of PCOS requires lifestyle interventions such as dietary modifications, weight loss, physical activity, and psychological well-being, as well as medical or surgical interventions in some cases. This article systematically examines the pathological basis of PCOS and the influence of HFDs on its development, with the aim of raising awareness of the connection between diet and reproductive health, providing a robust approach to lifestyle interventions, and serving as a reference for the development of targeted drug treatments.
Chemical Constituents, Biological Activities, and Proposed Biosynthetic Pathways of Steroidal Saponins from Healthy Nutritious Vegetable—Allium
Authors: Wang Huaxiang , Zheng Qi , Dong Aijun , Wang Junchi , Si Jianyong
Published: May 2023

Allium is a common functional vegetable with edible and medicinal value. Allium plants have a special spicy taste, so they are often used as food and seasoning in people’s diets. As a functional food, Allium also has abundant biological activities, some of which are used as drugs to treat diseases. By consuming Allium on a daily basis, people can receive active compounds of natural origin, thereby improving their health status and reducing the likelihood of disease. Steroidal saponins are important secondary metabolites of Allium, which are formed by the steroidal aglycone group and sugar. Steroidal saponins have various physiological activities, such as hypoglycemic, antiplatelet aggregation, anti-inflammatory, antitumor, antimicrobial, and enzyme activity inhibition, which is one of the key reasons why Allium has such significant health benefits. The structural diversity and rich biological activities of steroidal saponins make Allium important plants for both food and medicine. In this paper, the chemical structures, biological activities, and structure–activity relationships of steroidal saponins isolated from Allium are reviewed, and the biosynthetic pathways of some key compounds are proposed as well, to provide a molecular reference basis based on secondary metabolites for the health value of Allium.
Maternal Bean Consumption during Pregnancy: Distribution and Nutritional Outcomes
Authors: Yang Bokun , Ferdousi Mariyam S. , Morris Julianna , Durnell Rose H. , Chan Daren , Rekić Neila , Rideout Todd C. , Wen Xiaozhong
Published: May 2023

(1) Background: Due to their high nutritional value, we aimed to characterize the frequency and amount of maternal consumption of beans during pregnancy and their associations with diet quality and nutrient intake. (2) Methods: We conducted a secondary data analysis of US pregnant women (n = 1444) from the Infant Feeding Practices Study II, a longitudinal study that followed mother–infant pairs from late pregnancy to 1 year postpartum. Maternal bean intake (food types [dried beans, chili, and bean soup], frequency, serving size, and amount), diet quality (Healthy Eating Index [HEI]), and nutrient intake were estimated with a Food Frequency Questionnaire taken in the third trimester of pregnancy. Associations of bean consumption with diet quality and nutrient intake were examined with analysis of variance, Fisher’s least significant difference tests, correlation coefficients, and coefficients of determination. (3) Results: In general, maternal bean consumption was low during pregnancy: 0.31 cups/week of dried beans, 0.37 cups/week of chili, and 0.10 cups/week of bean soup. Maternal bean consumption varied by socio-demographics and geographic regions. In comparison with those who never consumed dried beans, mothers who ate dried beans ≥ 1 time per week had a higher mean HEI score (67.5 vs. 63.6), intake of total fiber (24.4 vs. 17.4 g/day), and protein (93.4 vs. 79.9 g/day), but a lower percentage of energy from added sugar (12.6 vs. 15.2%). Higher dried bean consumption had weak-to-moderate correlations with intake of total fiber (correlation coefficient, 0.320), insoluble fiber (0.316), soluble fiber (0.310), and folate (0.286). Similar but less extensive correlations were observed for chili and bean soup consumption. (4) Conclusions: In this US cohort of pregnant women, bean consumption was low. Increased intake of beans (≥1 time per week) may improve maternal diet quality during pregnancy.
Obesity, Gut Microbiota, and Metabolome: From Pathophysiology to Nutritional Interventions
Authors: Puljiz Zivana , Kumric Marko , Vrdoljak Josip , Martinovic Dinko , Ticinovic Kurir Tina , Krnic Marin Ozren , Urlic Hrvoje , Puljiz Zeljko , Zucko Jurica , Dumanic Petra , Mikolasevic Ivana , Bozic Josko
Published: May 2023

Obesity is a disorder identified by an inappropriate increase in weight in relation to height and is considered by many international health institutions to be a major pandemic of the 21st century. The gut microbial ecosystem impacts obesity in multiple ways that yield downstream metabolic consequences, such as affecting systemic inflammation, immune response, and energy harvest, but also the gut–host interface. Metabolomics, a systematized study of low-molecular-weight molecules that take part in metabolic pathways, represents a serviceable method for elucidation of the crosstalk between hosts’ metabolism and gut microbiota. In the present review, we confer about clinical and preclinical studies exploring the association of obesity and related metabolic disorders with various gut microbiome profiles, and the effects of several dietary interventions on gut microbiome composition and the metabolome. It is well established that various nutritional interventions may serve as an efficient therapeutic approach to support weight loss in obese individuals, yet no agreement exists in regard to the most effective dietary protocol, both in the short and long term. However, metabolite profiling and the gut microbiota composition might represent an opportunity to methodically establish predictors for obesity control that are relatively simple to measure in comparison to traditional approaches, and it may also present a tool to determine the optimal nutritional intervention to ameliorate obesity in an individual. Nevertheless, a lack of adequately powered randomized trials impedes the application of observations to clinical practice.
The Regio- and Stereoselective Synthesis of 1,4-Diarylbut-1-en-3-ynes Having Aryl Groups at the Mutual Syn Positions
Authors: Rogalski Szymon , Szymaszek Natalia , Pietraszuk Cezary
Published: May 2023

(E)-1-aryl-2,4-bis(trimethylsilyl)but-1-en-3-ynes readily undergo protodesilylation and subsequent aerobic, copper-free Sonogashira cross-coupling with aryl halides to form (E)-1,4-diaryl-2-(trimethylsilyl)but-1-en-3-ynes. The proposed one-pot, two-step approach allows access to the isomers containing aryl substituents in mutual syn positions. The resulting 2-silyl enynes can be further converted by proto- or halodesilylation.