bluuebunny/crossref_metadata_2025 huggingface dataset:
Design and Experimental Investigation of an Ultra-Low Frequency, Low-Intensity, and Multidirectional Piezoelectric Energy Harvester with Liquid as the Energy-Capture Medium
Authors: Li Ning , Yang Fan , Luo Tao , Qin Lifeng
Published: February 2023

Traditional piezoelectric vibration energy harvesters (PVEHs) usually adopt a rigid energy-capture structure, which can achieve efficient energy harvesting in single-directional, high-frequency, and high-intensity vibration environments. However, efficient harvesting with the use of low-frequency, low-intensity, and multidirectional vibration energy remains a challenge for existing harvesters. To tackle this problem, we proposed a PVEH with liquid as the energy-capture medium. Our previous research verified that this set up can show a good energy harvesting performance under low-frequency, low-intensity, and horizontal multidirectional vibration excitation. In this paper, we further studied the possibility of vertical multidirectional energy harvesting using this device, as well as the influence of several important parameters (rope margin, liquid level height, and floating block shape) on the output performance. The results showed that the proposed PVEH can realize energy harvesting in three-dimensional space and that the output characteristic is adjustable.
High-Figure-of-Merit Biosensing and Enhanced Excitonic Absorption in an MoS2-Integrated Dielectric Metasurface
Authors: Hajian Hodjat , Rukhlenko Ivan D. , Bradley A. Louise , Ozbay Ekmel
Published: February 2023

Among the transitional metal dichalcogenides (TMDCs), molybdenum disulfide (MoS2) is considered an outstanding candidate for biosensing applications due to its high absorptivity and amenability to ionic current measurements. Dielectric metasurfaces have also emerged as a powerful platform for novel optical biosensing due to their low optical losses and strong near-field enhancements. Once functionalized with TMDCs, dielectric metasurfaces can also provide strong photon–exciton interactions. Here, we theoretically integrated a single layer of MoS2 into a CMOS-compatible asymmetric dielectric metasurface composed of TiO2 meta-atoms with a broken in-plane inversion symmetry on an SiO2 substrate. We numerically show that the designed MoS2-integrated metasurface can function as a high-figure-of-merit (FoM=137.5 RIU−1) van der Waals-based biosensor due to the support of quasi-bound states in the continuum. Moreover, owing to the critical coupling of the magnetic dipole resonances of the metasurface and the A exciton of the single layer of MoS2, one can achieve a 55% enhanced excitonic absorption by this two-port system. Therefore, the proposed design can function as an effective biosensor and is also practical for enhanced excitonic absorption and emission applications.
ESBL Displace: A Protocol for an Observational Study to Identify Displacing Escherichia coli Strain Candidates from ESBL-Colonized Travel Returners Using Phenotypic, Genomic Sequencing and Metagenome Analysis
Authors: Schweitzer Michael , Mari Alfredo , Roloff Tim , Künzli Esther , Heller Stefanie , Albertos Torres Diana , Meola Marco , Nogarth Danica , Laganenka Leanid , Prampolini Lisa , Seth-Smith Helena M. B. , Grüninger Olivia , Gensch Alexander , Reist Josiane , Bonhoeffer Sebastian , Hardt Wolf-Dietrich , Egli Adrian
Published: February 2023

Introduction: Invading extended-spectrum beta-lactamase-producing Escherichia coli (ESBL-PE), non-ESBL E. coli, and other bacteria form a complex environment in the gut. The duration and dynamics of ESBL-PE colonization varies among individuals. Understanding the factors associated with colonization may lead to decolonization strategies. In this study, we aim to identify (i) single E. coli strains and (ii) microbiome networks that correlate with retention or decline of colonization, and (iii) pan-sensitive E. coli strains that potentially could be used to displace ESBL-PE during colonization. Methods and analysis: We recruit healthy travellers to Southeast Asia for a one-year prospective observational follow-up study. We collect and biobank stool, serum, and peripheral blood mononuclear cells (PBMCs) at predefined timepoints. Additional information is collected with questionnaires. We determine the colonization status with ESBL-PE and non-ESBL E. coli and quantify cell densities in stools and ratios over time. We characterize multiple single bacterial isolates per patient and timepoint using whole genome sequencing (WGS) and 16S/ITS amplicon-based and shotgun metagenomics. We determine phylogenetic relationships between isolates, antimicrobial resistance (AMR; phenotypic and genotypic), and virulence genes. We describe the bacterial and fungal stool microbiome alpha and beta diversity on 16S/ITS metagenomic data. We describe patterns in microbiome dynamics to identify features associated with protection or risk of ESBL-PE colonization. Ethics and dissemination: The study is registered (clinicaltrials.gov; NCT04764500 on 09/02/2019) and approved by the Ethics Committee (EKNZ project ID 2019-00044). We will present anonymized results at conferences and in scientific journals. Bacterial sequencing data will be shared via publicly accessible databases according to FAIR principles.
Geoelectric Signature of Gold Mineralization in the Alta Floresta Gold Province, Mato Grosso State, Brazil
Authors: Seimetz Eduardo Xavier , Costa Alexandre Santos Jeronimo da , Borges Welitom Rodrigues , Ianniruberto Marco , Canata Rafael Espindola
Published: February 2023

The Alta Floresta Gold Province (PAAF) is abundant in gold deposits and, located in the state of Mato Grosso, Brazil, is an ideal place to study the geoelectric signature of gold mineralization. Auriferous mineralization occurs along shear zones in quartz veins and disseminated granites in this region. Ores are associated with oxides and sulfides, mainly with pyrites. To identify primary gold or continuities of the mineralized zones, data were acquired using the geophysical methods of electrical resistivity and induced polarization in three gold mines: Raimunda, Truilio, and Porteira. Dipole–dipole arrays with electrode spacings of 20 and 25 m were used to investigate up to 100 m in depth. Resistivity and chargeability range scales were developed with statistical analyses of all the geophysical and geological data. The geophysical models of the Raimunda and Truilio gold mines showed coherence with the boreholes, but the geophysical models of the Porteira gold mine were not coherent with the boreholes. The resistivity and chargeability parameters indicated that the lithotypes (soils, saprolites, and monzogranites) could be characterized and identified as potential mineralized targets. The soils ranged from 1000 to 8000 ohm.m, the saprolites had values from 150 to 800 ohm.m, and the monzogranite values were from 1100 to 9000 ohm.m. The mineralized targets had values from 18 to 35 mV/V. The results confirm the efficiency of the resistivity and induced polarization methods to find sulfides in shear zones in the Alta Floresta Gold Province.
Effect of Agitation on the Dissolution of APAM with Different Molecular Weights and the Equivalent Diameter of Coal Slime Settling Floc with Different Particle Sizes
Authors: Li Jianbo , Zhou Wei , Cai Chuanchuan , Wang Shujie , Zhu Jinbo
Published: February 2023

There are still many problems in the stirring dissolution of flocculants: The law of stirring dissolution of flocculants with different molecular weights is not clear, the microstructure of settling floc with different particle sizes of coal slime is still to be explored, and how to apply the law of flocculant dissolution to industrialization? To solve these problems, firstly, mechanical stirring dissolution tests are carried out on anionic polyacrylamide (APAM) with different molecular weights to explore the stirring dissolution law of APAM with 3–25 million molecular weights. Results indicated that the optimal stirring speed of APAM with 3–6 million molecular weight is 800 r/min. The optimal stirring speed of 8–16 million molecular weight APAM is 600 r/min. The optimal stirring speed of 18–25 million molecular weight APAM is 800 r/min. The stirring power formula for APAM dissolution is improved by fitting the experimental data of 3–25 million molecular weight APAM stirring dissolution. Secondly, through APAM performance test, it is verified that the solubility of powdered APAM is the best under optimal solution. Thirdly, through the image measurement and analysis test of settling floc of coal slime, the change law of equivalent diameter of settling floc of different particle sizes of coal slime under the optimal dissolution parameters are explored. Results showed that when the mixing speed is 600 r/min, the equivalent diameter of −0.5 mm slime settling floc is the largest. When the mixing speed is 200 r/min or 400 r/min, the equivalent diameters of 0.5–0.25 mm, 0.25–0.125 mm, 0.125–0.075 mm, 0.075–0.045 mm and −0.045 mm slime settling floc are the largest. The equivalent diameter is positively correlated with the size of slime, and the equivalent diameter of −0.045 mm slime settling floc is the largest. The size of slime is the dominant factor in the change of fractal dimension. The fractal dimension of −0.5 mm slime settling floc is the largest, and the fractal dimension is little affected by mixing speed. Finally, the relationship between the important dissolution parameters of the APAM stirring dissolution test is numerically fitted. In view of the different geometrical parameters of the stirring barrel, a method of deducing the dissolution and stirring time of industrial flocculants is proposed.
National-Scale Geochemical Baseline and Anomalies of Chromium in Papua New Guinea
Authors: Zhao Yuhao , Kumul Conrad , Wang Tiangang , Mosusu Nathan , Yao Zhongyou , Zhu Yiping , Zhang Bimin , Wang Xueqiu
Published: February 2023

Papua New Guinea (PNG) is located at the convergence edge of the Pacific Plate and the Indo-Australian Plate, consisting of three units. There are three chromium mineralization types in PNG. Based on national-scale geochemical mapping in PNG during 2015–2018, 1399 samples of stream sediments were collected from Highland Region, Papua Peninsula, and New Guinea Islands. This paper preliminarily studied chromium’s geochemical background, spatial distribution characteristics, and geochemical anomalies. The chromium concentration ranged from 3 ppm to 74,600 ppm, with a median value of 145 ppm, which was higher than the upper crustal abundance of chromium and the chromium geochemical baseline of Europe, Australia, North America, and China. In terms of stream sediment samples in different tectonic units, as mafic–ultramafic magmatic rocks are widely developed, the median chromium values of the New Guinea Orogen, including the Papuan Fold Belt, the New Guinea Thrust Belt, the Finisterre Terrane, the Aure Fold Belt, the Eastern Fold Belt, and the Eastern Papuan Composite Terrane, were higher than the value of the Melanesian Arc. The ophiolitic complexes, such as the April ophiolite, the Marum ophiolite, and the Papua ultramafic belt, significantly correlated with the higher chromium concentration. Eleven chromium high anomalies with mineralization potential were delineated, including three laterite and podiform prospecting areas and eight placer prospecting areas. Based on the chromium–nickel integrated anomaly map, comprehensive exploration and exploitation of nickel and chromium can be carried out in 1 and 11 high anomaly areas related to lateritic mineralization.
Geochemical Features of Potentially Ore-Bearing Mafic Intrusions at the Eastern Norilsk Region and Their Relationships with Lavas (NW Siberian Traps Province)
Authors: Kostitsyn Yuri , Krivolutskaya Nadezhda , Somsikova Alina V. , Anosova Maria , Demidova Svetlana , Konyshev Artem
Published: February 2023

The problem of the world-class PGE-Cu-Ni Norilsk deposits’ origin has attracted geologists for several decades. The main goal of this study is to determine the specific features of ore-bearing intrusions in comparison with thousands of similar barren intrusions widespread within the Siberian igneous province, and to establish their genesis. As a result of statistical processing of previously published isotope-geochemical data and obtained by the authors, systematic differences were found in the distribution of the isotopic ratio of Nd in ore-bearing and barren intrusions, as well as in volcanic rocks at the Norilsk region. Thus, ore-bearing rocks in ten deposits (Talnakh, Kharayelakh, Norilsk 1, South-Maslovsky, North-Maslovsky, Norilsk 2, Chernogorsky, Zub-Mrksheydersky, Pyasino-Vologochansky, Imangdinsky), different in Ni and PGE reserves, show a very narrow range of Nd isotopic ratio, ԐNd(T) = 1.0 ± 1.0 (2σ, N = 139), whereas barren and volcanic rocks are characterized by a rather wide ԐNd(T) range, from −10 to +7 units (N = 256). Furthermore, ore-bearing intrusions are characterized by reduced and compact variations of the La/Lu ratio due to lower concentrations of light lanthanides. For the first time the authors studied two new intrusions penetrated by MD-48 and MD-60 boreholes drilled by Norislkgeologia LLT at the eastern part of the Mikchangda area. Their economic values are still unclear and should be estimated using geochemical methods. Both intrusions lie in the Devonian rocks, have similar thickness and mineral composition, but differ in textural and structural features, which indicate a rapid crystallization of the MD-48 intrusion. According to the contents of the major oxides, the rocks in MD-48 and MD-60 are identical, but they differ in U/Nb, La/Sm, and Gd/Yb ratios. It is important that the rocks in the MD-60 borehole are characterized by ԐNd(T) = 1.0 ± 0.6 (2σ) and fall into the range of ore-bearing intrusions, whereas the rocks in MD-48 have ԐNd(T) 2.4 ± 0.9, and, thus, are outside of ore-bearing intrusions. Therefore, ԐNd(T) values can be used as a local criterion for the estimation of economic potential of mafic intrusions, which is demonstrated for the Mikachangda area.
A Combination of In Silico ADMET Prediction, In Vivo Toxicity Evaluation, and Potential Mechanism Exploration of Brucine and Brucine N-oxide—A Comparative Study
Authors: Gao Yan , Guo Lin , Han Ying , Zhang Jingpu , Dai Zhong , Ma Shuangcheng
Published: February 2023

Brucine (BRU) and brucine N-oxide (BNO) are prominent, bioactive, and toxic alkaloids in crude and processed Semen Strychni. Studies have demonstrated that BRU and BNO possess comprehensive pharmacological activities, such as anti-inflammatory and analgesic. In this context, a comparative study of BRU and BNO was performed by combination analysis of in silico ADMET prediction, in vivo toxicity evaluation, and potential action mechanism exploration. ADMET prediction showed that BRU and BNO might induce liver injury, and BRU may have a stronger hepatoxic effect. The prediction was experimentally verified using the zebrafish model. The BRU-induced hepatotoxicity of zebrafish larvae had a dose-response relationship. The mechanism of BRU-induced hepatotoxicity might relate to phosphorylation, kinase activity, and signal transduction. By comparison, signal transduction and gap junctions might involve BNO-induced hepatotoxicity. Our results provided a better understanding of BRU- and BNO-induced hepatotoxicity. We also built a foundation to elucidate the material base of the hepatotoxicity of traditional Chinese medicine Semen Strychni.
Risk Assessment of Pesticide Residues by GC-MSMS and UPLC-MSMS in Edible Vegetables
Authors: Selim Mohamed T. , Almutari Mohammad M. , Shehab Hassan I. , EL-Saeid Mohamed H.
Published: February 2023

In recent years, there has been a significant increase related to pesticide residues in foods, which may increase the risks to the consumer of these foods with the different quality and concentrations of pesticide residues. Pesticides are used for controlling pests that reduce yields. On the other hand, it has become a major public health concern due to its toxic properties. Thus, the objective of the current study employed the application of Quick Easy Cheap Effective Rugged Safe (QuEChERS) method, in combination with gas and liquid chromatography-tandem mass spectrometric detection (GCMSMS, LCMSMS) in order to determine 137 pesticide residues (63 insecticides, 41 acaricides, 40 herbicide, 55 fungicide, nematicide, growth regulator, Chitin synthesis inhibitors, and Juvenile hormone mimics), in 801 vegetables such as 139 tomatoes, 185 peppers, 217 squash, 94 eggplants, and 166 cucumbers from different locations in Hail and Riyadh cities. The results showed that the majority of pesticide residues were detected for each of the following pesticides: acetaimpride, metalaxyl, imidaclopride, bifenthrin, pyridaben, difenoconazole, and azoxystrobien, which were repeated in the samples studied 39, 21, 11, 10, 8, 7, and 5, respectively. In addition, results observed that the tomato was the most contaminated with pesticide residues; it was contaminated with 19 compounds and was followed by pepper, cucumber, and squash, and the last commodity in the contaminated ranking was eggplant. The highest calculated estimated daily intakes (EDIs) were recorded for tomatoes which were estimated between 0.013 to 0.516 mg/kg of body weight per day (bw/day) while the lowest EDIs value was between 0.000002 to 0.0005 mg/kg of bw/day for cucumber. Results indicated that the EDIs values were lower than the acceptable daily intake (ADI) values. Results observed that the most of pesticide residues exposure in food consumption in Saudi Arabia were lower than ADIs. In addition, the highest value for health risk index (HRI) was recorded with Ethion residue in tomato, but in sweet pepper, the highest value for HRI was 127.5 in the form of fipronil residue. On the other hand, results found that the highest values of HRI were 1.54, 1.61, and 0.047 for difenoconazole, bifenthrin, and pyridaben residues in squash, eggplant, and cucumber.
Cation-Chloride Cotransporters KCC2 and NKCC1 as Therapeutic Targets in Neurological and Neuropsychiatric Disorders
Authors: Lam Patricia , Newland Julia , Faull Richard L. M. , Kwakowsky Andrea
Published: February 2023

Neurological diseases including Alzheimer’s, Huntington’s disease, Parkinson’s disease, Down syndrome and epilepsy, and neuropsychiatric disorders such as schizophrenia, are conditions that affect not only individuals but societies on a global scale. Current therapies offer a means for small symptomatic relief, but recently there has been increasing demand for therapeutic alternatives. The γ-aminobutyric acid (GABA)ergic signaling system has been investigated for developing new therapies as it has been noted that any dysfunction or changes to this system can contribute to disease progression. Expression of the K-Cl-2 (KCC2) and N-K-C1-1 (NKCC1) cation-chloride cotransporters (CCCs) has recently been linked to the disruption of GABAergic activity by affecting the polarity of GABAA receptor signaling. KCC2 and NKCC1 play a part in multiple neurological and neuropsychiatric disorders, making them a target of interest for potential therapies. This review explores current research suggesting the pathophysiological role and therapeutic importance of KCC2 and NKCC1 in neuropsychiatric and neurological disorders.
Degree of Coupling in Microwave-Heating Polar-Molecule Reactions
Authors: Liu Xingpeng , Huang Heping , Yang Linsen , Huang Kama
Published: February 2023

Microwave-assisted chemical reactions have been widely used, but the overheating effect limits further applications. The aim of this paper is to investigate the coupling degree of the electromagnetic field and thermal field in microwave-heating chemical reactions whose polarization changes as the reactions proceed. First, the entropy-balance equation of microwave-heating polar-molecule reactions is obtained. Then, the coupling degree of the electromagnetic field and the thermal field in microwave-heating polar-molecule reactions is derived, according to the entropy-balance equation. Finally, the effects of reaction processes on the degree of coupling are discussed. When the time scale of the component-concentration variation is much greater than the wave period during the chemical processes, the degree of coupling is sufficiently small, and the electric and thermal fields are considered as weakly coupled. On the other hand, the degree of coupling may change during the reactions. If the absolute value of the coupling degree becomes larger, due to the change in component concentration, this will lead to a transition from weak coupling to strong coupling.
Pattern Formation in Two-Component Monolayers of Particles with Competing Interactions
Authors: Ciach Alina , De Virgiliis Andres , Meyra Ariel , Litniewski Marek
Published: February 2023

Competing interactions between charged inclusions in membranes of living organisms or charged nanoparticles in near-critical mixtures can lead to self-assembly into various patterns. Motivated by these systems, we developed a simple triangular lattice model for binary mixtures of oppositely charged particles with additional short-range attraction or repulsion between like or different particles, respectively. We determined the ground state for the system in contact with a reservoir of the particles for the whole chemical potentials plane, and the structure of self-assembled conglomerates for fixed numbers of particles. Stability of the low-temperature ordered patterns was verified by Monte Carlo simulations. In addition, we performed molecular dynamics simulations for a continuous model with interactions having similar features, but a larger range and lower strength than in the lattice model. Interactions with and without symmetry between different components were assumed. We investigated both the conglomerate formed in the center of a thin slit with repulsive walls, and the structure of a monolayer adsorbed at an attractive substrate. Both models give the same patterns for large chemical potentials or densities. For low densities, more patterns occur in the lattice model. Different phases coexist with dilute gas on the lattice and in the continuum, leading to different patterns in self-assembled conglomerates (‘rafts’).
Recent Advances in the Synthesis of Cyclic Sulfoximines via C–H Bond Activation
Authors: Wang Bingren , Liang Xiayu , Zeng Qingle
Published: February 2023

Sulfoximines, a ubiquitous class of structural motifs, are widely present in bioactive molecules and functional materials that have received considerable attention from modern organic chemistry, pharmaceutical industries, and materials science. Sulfoximines have proved to be an effective directing group for C–H functionalization which was widely investigated for the synthesis of cyclic sulfoximines. Within the last decade, great progress has been achieved in the synthesis of cyclic sulfoximines. Thus, this review highlights the recent advances in the synthesis of cyclic sulfoximines via the C–H activation strategy and is classified based on the substrate types.
Evaluation of Hold-Up Volume Determination Methods and Markers in Hydrophilic Interaction Liquid Chromatography
Authors: Redón Lídia , Subirats Xavier , Rosés Martí
Published: February 2023

Common methods for hold-up time and volume determination in Reversed-Phase Liquid Chromatography (RPLC) have been tested for Hydrophilic Interaction Liquid Chromatography (HILIC). A zwitterionic ZIC-HILIC column has been used for the testing. The pycnometric determination method, based on differences in column weight when filled with water or organic solvent, provides the overall volume of solvent inside the column. This includes the volume of eluent semi-sorbed on the packing of the column, which acts as the main stationary phase. The homologous series approach, based on the retention behavior of homologues in relation to their molecular volume, allows the determination of accurate hold-up volumes. However, the application of this method is time-consuming. In some cases, large neutral markers with poor dipolarity/polarizability and hydrogen bonding interactions can be used as hold-up volume markers. This is the case of dodecylbenzene and nonadecane-2-one in clearly HILIC behaving chromatographic systems, the use of decanophenone as a marker can be even extended to the boundary between HILIC and RPLC. The elution volume of the marker remains nearly unaffected by the concentration of ammonium acetate in the mobile phase up to 20 mM. The injection of pure solvents to produce minor base-line disturbance as hold-up markers is strongly discouraged, since solvent peaks are complex to interpret and depend on the ionic strength of the eluent.
Enzyme Immobilization
Authors: Fernandez-Lafuente Roberto
Published: February 2023

The development of enzyme immobilization started in the middle of the previous century as a potential answer to the problem of the enzyme recovery and reuse [...]
Survivin Small Molecules Inhibitors: Recent Advances and Challenges
Authors: Albadari Najah , Li Wei
Published: February 2023

Survivin, as a member of the inhibitor of apoptosis proteins (IAPs) family, acts as a suppressor of apoptosis and plays a central role in cell division. Survivin has been considered as an important cancer drug target because it is highly expressed in many types of human cancers, while it is effectively absent from terminally differentiated normal tissues. Moreover, survivin is involved in tumor cell resistance to chemotherapy and radiation. Preclinically, downregulation of survivin expression or function reduced tumor growth induced apoptosis and sensitized tumor cells to radiation and chemotherapy in different human tumor models. This review highlights the role of survivin in promoting cellular proliferation and inhibiting apoptosis and summarizes the recent advances in and challenges of developing small-molecule survivin inhibitors.
A New Heart-Cutting Method for a Multiplex Quantitative Analysis of Steroid Hormones in Plasma Using 2D-LC/MS/MS Technique
Authors: Kotasova Marcela , Lacina Ondrej , Springer Drahomira , Sevcik Jan , Brutvan Tomas , Jezkova Jana , Zima Tomas
Published: February 2023

The aim of the current research was to develop a simple and rapid mass spectrometry-based assay for the determination of 15 steroid hormones in human plasma in a single run, which would be suitable for a routine practice setting. For this purpose, we designed a procedure based on the 2D-liquid chromatography-tandem mass spectrometry with a minimalistic sample pre-treatment. In our arrangement, the preparation of one sample takes only 10 min and can accommodate 40 samples per hour when tested in series. The following analytical run is 18 min long for all steroid hormones. In addition, we developed an independent analytical run for estradiol, significantly increasing the assay accuracy while taking an additional 10 min to perform an analytical run of a sample. The optimized method was applied to a set of human plasma samples, including chylous. Our results indicate the linearity of the method for all steroid hormones with squared regression coefficients R2 ≥ 0.995, within-run and between-run precision (RSD < 6.4%), and an accuracy of 92.9% to 106.2%. The absolute recovery for each analyzed steroid hormone ranged between 101.6% and 116.5%. The method detection limit for 15 steroid hormones ranged between 0.008 nmol/L (2.88 pg/mL) for aldosterone and 0.873 nmol/L (0.252 ng/mL) for DHEA. For all the analytes, the lowest calibration point relative standard deviation was less than 10.8%, indicating a good precision of the assay within the lowest concentration of interest. In conclusion, in this method article, we describe a simple, sensitive, and cost-effective 2D-LC/MS/MS method suitable for the routine analysis of a complex of steroid hormones allowing high analytical specificity and sensitivity despite minimal sample processing and short throughput times.
Effects of Substituents on the Photophysical/Photobiological Properties of Mono-Substituted Corroles
Authors: de Souza Vitória Barbosa , da Rocha Vinícius N. , Piquini Paulo Cesar , Chaves Otávio Augusto , Iglesias Bernardo A.
Published: February 2023

The trans-A2B-corrole series was prepared starting with 5-(pentafluorophenyl)dipyrromethene, which was then reacted with respective aryl-substituted aldehyde by Gryko synthesis. It was further characterized by HRMS and electrochemical methods. In addition, we investigated experimental photophysical properties (absorption, emission by steady-state and time-resolved fluorescence) in several solvents and TDDFT calculations, aggregation, photostability and reactive oxygen species generation (ROS), which are relevant when selecting photosensitizers used in photodynamic therapy and many other photo-applications. In addition, we also evaluated the biomolecule-binding properties with CT-DNA and HSA by spectroscopy, viscometry and molecular docking calculations assays.
Polylactide-Based Materials: Synthesis and Biomedical Applications
Authors: Brzeziński Marek , Basko Malgorzata
Published: February 2023

Polylactide (PLA) is a biocompatible polyester that can be obtained by polycondensation of lactic acid or the ring-opening polymerization (ROP) of lactide [...]
Biosynthesis of Silver Nanoparticles Using Salvia pratensis L. Aerial Part and Root Extracts: Bioactivity, Biocompatibility, and Catalytic Potential
Authors: Srećković Nikola Z. , Nedić Zoran P. , Monti Daria Maria , D’Elia Luigi , Dimitrijević Silvana B. , Mihailović Nevena R. , Katanić Stanković Jelena S. , Mihailović Vladimir B.
Published: February 2023

The aim of this research was the synthesis of silver nanoparticles (SPA- and SPR-AgNPs) using the aqueous extracts of the aerial (SPA) and the root (SPR) parts of the plant Salvia pratensis L., their characterization, reaction condition optimization, and evaluation of their biological and catalytic activity. UV–Vis spectroscopy, X-ray powder diffraction (XRPD), scanning electron microscopy with EDS analysis (SEM/EDS), and dynamic light scattering (DLS) analysis were utilized to characterize the nanoparticles, while Fourier transform infrared (FTIR) spectroscopy was used to detect some functional groups of compounds present in the plant extracts and nanoparticles. The phenolic and flavonoid contents, as well as the antioxidant activity of the extracts, were determined spectrophotometrically. The synthesized nanoparticles showed twice-higher activity in neutralizing 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS+) compared with the respective extracts. SPR-AgNPs exhibited strong antimicrobial activity against almost all of the tested bacteria (<0.0039 mg/mL) and fungal strains, especially against the genus Penicillium (<0.0391 mg/mL). Moreover, they were fully biocompatible on all the tested eukaryotic cells, while the hemolysis of erythrocytes was not observed at the highest tested concentration of 150 µg/mL. The catalytic activity of nanoparticles toward Congo Red and 4-nitrophenol was also demonstrated. The obtained results confirm the possibility of the safe application of the synthesized nanoparticles in medicine and as a catalyst in various processes.
Challenges and Trends in User Trust Discourse in AI Popularity
Authors: Sousa Sonia , Cravino José , Martins Paulo
Published: February 2023

The Internet revolution in 1990, followed by the data-driven and information revolution, has transformed the world as we know it. Nowadays, what seam to be 10 to 20 years ago, a science fiction idea (i.e., machines dominating the world) is seen as possible. This revolution also brought a need for new regulatory practices where user trust and artificial Intelligence (AI) discourse has a central role. This work aims to clarify some misconceptions about user trust in AI discourse and fight the tendency to design vulnerable interactions that lead to further breaches of trust, both real and perceived. Findings illustrate the lack of clarity in understanding user trust and its effects on computer science, especially in measuring user trust characteristics. It argues for clarifying those notions to avoid possible trust gaps and misinterpretations in AI adoption and appropriation.
A Novel Photocatalytic Functional Coating Applied to the Degradation of Xylene in Coating Solvents under Solar Irradiation
Authors: Sun Luying , Tan Yujie , Xu Hui , Shu Ruchen , Liu Zhi , Zhang Ruina , Hou Jianyuan , Zhang Renxi
Published: February 2023

A novel photocatalytic functional coating was prepared with g-C3N4/TiO2 composites as the photocatalytic active component modified by dielectric barrier discharge (DBD), and it showed an efficient catalytic performance under solar light irradiation. The degradation of xylene released from fluorocarbon coating solvents by the g-C3N4/TiO2 composite coatings was investigated under simulated solar irradiation. The degradation efficiency of the coating mixed with DBD-modified 10%-g-C3N4/TiO2 showed a stable, long-lasting, and significantly higher activity compared to the coatings mixed with the unmodified catalyst. Ninety-eight percent of the xylene released from fluorocarbon coating solvents was successfully removed under solar light irradiation in 2 h. The properties of the catalyst samples before and after modification were evaluated using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), ultraviolet–visible (UV–vis) spectroscopy, X-ray photoelectron spectroscopy (XPS), and other characterization techniques. The results suggested that DBD-modified g-C3N4/TiO2 showed an improved capture ability and utilization efficiency of solar light with reduced band gap and lower complexation rate of electron–hole pairs. The prepared photocatalytic coating offers an environmentally friendly approach to purify the volatile organic compounds (VOCs) released from solvent-based coatings.
Recent Progress of Nanodiamond Film in Controllable Fabrication and Field Emission Properties
Authors: Guo Xin , You Yajun , Bao Aida , Jia Pinggang , Xiong Jijun , Li Junshuai
Published: February 2023

The interest in the field electron emission cathode nanomaterials is on the rise due to the wide applications, such as electron sources, miniature X-ray devices, display materials, etc. In particular, nanodiamond (ND) film is regarded as an ideal next-generation cathode emitter in the field emission devices, due to the low or negative electron affinity, small grain size, high mechanical hardness, low work function, and high reliability. Increasing efforts are conducted on the investigation of the emission structures, manufacturing cost, and field emission properties improvement of the ND films. This review aims to summarize the recent research, highlight the new findings, and provide a roadmap for future developments in the area of ND film electron field emitter. Specially, the optimizing methods of large-scale, high-quality, and cost-effective synthesis of ND films are discussed to achieve more stable surface structure and optimal physical properties. Additionally, the mainstream strategies applied to produce high field emission performance of ND films are analyzed in detail, including regulating the grain size/boundary, hybrid phase carbon content, and doping element/type of ND films; meanwhile, the problems existing in the related research and the outlook in this area are also discussed.
Multilevel Spiral Axicon for High-Order Bessel–Gauss Beams Generation
Authors: Tudor Rebeca , Bulzan George Andrei , Kusko Mihai , Kusko Cristian , Avramescu Viorel , Vasilache Dan , Gavrila Raluca
Published: February 2023

This paper presents an efficient method to generate high-order Bessel–Gauss beams carrying orbital angular momentum (OAM) by using a thin and compact optical element such as a multilevel spiral axicon. This approach represents an excellent alternative for diffraction-free OAM beam generation instead of complex methods based on a doublet formed by a physical spiral phase plate and zero-order axicon, phase holograms loaded on spatial light modulators (SLMs), or the interferometric method. Here, we present the fabrication process for axicons with 16 and 32 levels, characterized by high mode conversion efficiency and good transmission for visible light (λ = 633 nm wavelength). The Bessel vortex states generated with the proposed diffractive optical elements (DOEs) can be exploited as a very useful resource for optical and quantum communication in free-space channels or in optical fibers.
The Relationship between Electron Transport and Microstructure in Ge2Sb2Te5 Alloy
Authors: Liu Cheng , Zheng Yonghui , Xin Tianjiao , Zheng Yunzhe , Wang Rui , Cheng Yan
Published: February 2023

Phase-change random-access memory (PCRAM) holds great promise for next-generation information storage applications. As a mature phase change material, Ge2Sb2Te5 alloy (GST) relies on the distinct electrical properties of different states to achieve information storage, but there are relatively few studies on the relationship between electron transport and microstructure. In this work, we found that the first resistance dropping in GST film is related to the increase of carrier concentration, in which the atomic bonding environment changes substantially during the crystallization process. The second resistance dropping is related to the increase of carrier mobility. Besides, during the cubic to the hexagonal phase transition, the nanograins grow significantly from ~50 nm to ~300 nm, which reduces the carrier scattering effect. Our study lays the foundation for precisely controlling the storage states of GST-based PCRAM devices.
Editorial for the Special Issue on “Boron Nitride-Based Nanomaterials”
Authors: Ran Hongshun , Yin Jie , Li Hongping
Published: February 2023

Boron nitride (BN) materials, graphene-like materials, are known as one of the most promising inorganic materials of this century because of their unique structures and properties [...]
Mediterranean-Style Diet and Other Determinants of Well-Being in Omnivorous, Vegetarian, and Vegan Women
Authors: Kaluza Joanna , Lozynska Katarzyna , Rudzinska Julia , Granda Dominika , Sicinska Ewa , Szmidt Maria Karolina
Published: February 2023

Due to the lack of studies comparing the determinants of well-being in omnivores and vegetarians, we examined associations of socio-demographic and lifestyle factors, including adherence to a Mediterranean-style diet, in relation to well-being in omnivorous, vegetarian, and vegan women. Well-being was assessed using a validated WHO-5 Well-Being Index. Adherence to the Mediterranean-style diet was determined using a modified Mediterranean diet score. The study was conducted on 636 women (23.9 ± 5.7 years), of whom 47.3% were omnivores, 33.2% vegetarians, and 19.5% vegans. The good well-being group (WHO-5 Index ≥ 13 points) comprised 30.9% of the omnivores, 46.0% of the vegetarians, and 57.3% of the vegans. The remaining participants were classified as belonging to the poor well-being group (<13 points). Compared to the omnivores, the vegetarians and vegans had a 1.6-fold (95% CI: 1.04–2.42) and a 2.4-fold (95% CI: 1.45–3.99) higher probability of having good well-being, respectively. In omnivores, the predictors of good well-being were adherence to the Mediterranean-style diet (a 1-score increment was associated with a 17% higher probability of good well-being, P-trend = 0.016), higher self-perceived health status, and lower levels of stress. In vegetarians and vegans, it was older age, higher physical activity (≥3 h/week), 7–8 h sleep time, and similarly to omnivores’ higher self-perceived health status and lower stress level. Our findings indicate that following a Mediterranean-style diet was associated with better well-being in omnivores. Furthermore, we identified that different determinants were associated with well-being in omnivorous and vegetarian and vegan women.
Replacing Foods with a High-Glycemic Index and High in Saturated Fat by Alternatives with a Low Glycemic Index and Low Saturated Fat Reduces Hepatic Fat, Even in Isocaloric and Macronutrient Matched Conditions
Authors: Basset-Sagarminaga Jeremy , Roumans Kay H. M. , Havekes Bas , Mensink Ronald P. , Peters Harry P. F. , Zock Peter L. , Mutsert Renée de , Borén Jan , Lindeboom Lucas , Schrauwen Patrick , Schrauwen-Hinderling Vera B.
Published: February 2023

Background: Current guidelines aim to limit the dietary glycemic index (GI) and intake of saturated fatty acids (SFA). Several studies have shown favorable effects of low-GI or low-SFA diets on intrahepatic lipid content (IHL), but these studies were performed under overfeeding conditions or extreme differences in GI or SFA to maximize the contrast between diets. By combining changes in GI and SFA, we can mimic how people can improve their diet in a realistic setting. Objectives: We investigated the effect on liver fat content and substrate metabolism of both reducing GI and replacing SFA with polyunsaturated fat in practically realistic amounts under isocaloric conditions. Design and Methods: In a randomized crossover study, thirteen overweight participants consumed two diets, one high in GI and SFA (high GI/SFA) and one low in GI and SFA (low GI/SFA) with identical macronutrient composition, for two weeks each. Diets were equal in caloric content, consisted of habitual food items, and had a macronutrient composition that can be easily achieved in daily life. At the end of each intervention, IHL content/composition and liver glycogen were measured by magnetic resonance spectroscopy. Additionally, fasted and postprandial hepatic de novo lipogenesis and glycemic and metabolic responses were investigated. Results: IHL was significantly lower (−28%) after the two-week low-GI/SFA diet (2.4 ± 0.5% 95% CI [1.4, 3.4]) than after the two-week high-GI/SFA diet (3.3 ± 0.6% 95% CI [1.9, 4.7], p < 0.05). Although hepatic glycogen content, hepatic de novo lipogenesis, hepatic lipid composition, and substrate oxidation during the night were similar between the two diets, the glycemic response to the low-GI/SFA diet was reduced (p < 0.05). Conclusions: Changes in macronutrient quality can already have drastic effects on liver fat content and postprandial glycemia after two weeks and even when energy content and the percentage of total fat and carbohydrate remains unchanged.
Determinants of Honey and Other Bee Products Use for Culinary, Cosmetic, and Medical Purposes
Authors: Kowalczuk Iwona , Gębski Jerzy , Stangierska Dagmara , Szymańska Agata
Published: February 2023

Bee products have been used for centuries for culinary, medicinal, and cosmetic purposes, and their properties are still a subject of research, which provide new arguments in favour of their use. The research aimed to determine the current state of use of bee products by Polish consumers and determine the ways and conditions of their use, with particular reference to the level of nutritional knowledge and health status. The survey was conducted using the CAWI (Computer-Assisted Web Interview) method on 487 respondents. It was found that honey is used mainly for culinary purposes and, to a lesser extent, for medicinal and cosmetic purposes. Other bee products are much less commonly used than honey—mainly beeswax and royal jelly for cosmetic purposes and propolis and bee pollen for medicinal purposes. Segments distinguished by the frequency of use of honey for particular purposes were differentiated by gender, age, income level, use of other bee products, and motivation to use them. Their differences were also found in terms of the level of nutritional knowledge and self-assessed health status—the highest ratings in both categories were indicated by representatives of the Honey users’ segment, which consisted of people who use honey most frequently for cooking, cosmetic and medicinal purposes. Regression analysis additionally showed that higher levels of nutritional knowledge and better health status were associated with the use of honey to treat gastrointestinal ailments and with the use of propolis for medicinal purposes.
Ramie leaf Extract Alleviates Bone Loss in Ovariectomized Rats—The Involvement of ROS and Its Associated Signalings
Authors: Lee Geum-Hwa , Hoang The-Hiep , Lee Hwa-Young , Lim Young-Je , Kim Ji-Hyun , Jung Su-Jin , Chae Soo-Wan , Rashid Mohammad Mamun Ur , Chae Han-Jung , Yoon Sun-Jung
Published: February 2023

Ramie leaf (Boehmeria nivea L.) has been traditionally used to treat gynecological and bone-related disorders. This study aims to evaluate the effect of Ramie leaf extracts (RLE) against osteoporosis in ovariectomized (OVX) rats. Female SD rats aged seven weeks were randomly assigned into five OVX and a sham-operated (sham) group. OVX subgroups include OVX, vehicle-treated OVX group; E2, OVX with 100 μg/kg 17β-estradiol; and RLE 0.25, 0.5, and 1, OVX rats treated with 0.25, 0.5, and 1 g/kg/day RLE, respectively. Two weeks into the bilateral ovariectomy, all the rats were orally administered with or without RLE daily for 12 weeks. OVX rats administered with RLE showed higher bone density, relatively low tartrate-resistant acid phosphatase (TRAP)-positive osteoclasts, and lower reactive oxygen species (ROS) within bone tissues compared to vehicle-treated OVX rats. Furthermore, supplementation of RLE improved bone mineral density (BMD) and bone microstructure in the total femur. RLE prevented RANKL-induced osteoclast differentiation and expression of osteoclastogenesis-related genes such as Cal-R, MMP-9, cathepsin K, and TRAP in RANKL-induced RAW264.7 cells. Moreover, RLE administration lowered the intracellular ROS levels by reducing NADPH oxidase 1 (NOX-1) and 4-hydroxynonenal (4HNE). These results suggest that RLE alleviates bone mass loss in the OVX rats by inhibiting osteoclastogenesis, where reduced ROS and its associated signalings were involved.
Effect of Aging of Orthodontic Aligners in Different Storage Media on Force and Torque Generation: An In Vitro Study
Authors: Elshazly Tarek M. , Nang Diva , Golkhani Bijan , Elattar Hanaa , Bourauel Christoph
Published: February 2023

The aim of this study is to study the effect of aging in different media (deionized water and artificial saliva) on the force/torque generation by thermoplastic orthodontic aligners. Ten thermoformed aligners, made of Essix ACE® thermoplastic sheets, were aged in deionized water and in artificial saliva over two weeks at 37 °C, five in each medium. The force/torque generated on upper second premolar (Tooth 25) of a resin model was measured at day 0 (before aging), 2, 4, 6, 10, and 14, using a biomechanical test set-up. The results showed that aging of aligners by storage in aging agent has no significant impact on their force/torque decay. No significant differences were also found in force/torque between the aligners stored in deionized water nor artificial saliva. The vertical extrusion-intrusion forces were measured in the range of 1.4 to 4.6 N, the horizontal oro-vestibular forces were 1.3 to 2.5 N, while the torques on mesio-distal rotation were 5.4 to 41.7 Nmm. It could be concluded that the influence of saliva only on the mechanical properties can be classified as insignificant, and no significant difference between artificial aging in deionized water or artificial saliva was observed.