bluuebunny/crossref_metadata_2025 huggingface dataset:
Potential Drug-Drug Interactions among Patients with Schizophrenia Spectrum Disorders: Prevalence, Association with Risk Factors, and Replicate Analysis in 2021
Authors: Bačar Bole Cvetka , Nagode Katja , Pišlar Mitja , Mrhar Aleš , Grabnar Iztok , Vovk Tomaž
Published: February 2023

Background and Objectives: Patients with schizophrenia are often exposed to polypharmacotherapy, which may lead to drug—drug interactions. The aim of the study was to investigate the prevalence of potential drug—drug interactions (pDDIs) in hospitalized patients with schizophrenia spectrum disorders and to identify factors associated with pDDIs and manifested symptoms and signs. Materials and Methods: This cross-sectional observational study included 311 inpatients admitted to a psychiatric hospital. The LexiComp drug interaction program was used to identify pDDIs in 2014. Factors associated with the prevalence of pDDIs and factors related to clinically observed symptoms and signs were assessed using multivariable regression. In addition, replicate analysis of pDDI was performed using 2021 program updates. Results: The prevalence of pDDIs was 88.7%. Our study showed that more than half of the patients received at least one drug combination that should be avoided. The most common pDDIs involved combinations of two antipsychotics or combinations of antipsychotics and benzodiazepines, which can lead to cardio-respiratory depression, sedation, arrhythmias, anticholinergic effects, and neuroleptic malignant syndrome. The number of prescribed drugs was a risk factor for pDDIs (OR 2.85; 95% CI 1.84–5.73). All groups of clinically observed symptoms and signs were associated with the number of drugs. In addition, symptoms and signs characteristic of the nervous system and psychiatric disorders were associated with antipsychotic dosage (IRR 1.33; 95% CI 1.12–1.58), which could contribute to the development of extrapyramidal syndrome, insomnia, anxiety, agitation, and bipolar mania. The 2021 version of the drug interaction program showed a shift in drug interactions toward a lower risk rating, implying less severe patient management and possibly less alert fatigue. Conclusions: Patients with schizophrenia spectrum disorders are at high risk of developing drug—drug interactions. Optimization of drug therapy, patient monitoring, and use of drug interaction programs could help to prevent pDDIs and subsequent adverse drug events.
A Modern Computer Application to Model Rare Earth Element Ion Behavior in Adsorptive Membranes and Materials
Authors: Rybak Aleksandra , Rybak Aurelia , Kolev Spas D.
Published: February 2023

The following paper offers a modern REE 1.0 computer application designed to model the behavior of REE ions in adsorptive materials and membranes. The current version of the application is based on several models, such as the Lagergren pseudo-first order, pseudo-second-order and Elovich kinetic models, and the intraparticle diffusion model, the diffusion-chemisorption model, and the Boyd model. The application has been verified on a sample of four different types of adsorptive materials and membranes. The proposed application allowed the analysis of kinetics, but also the mechanisms of the adsorption process, especially those responsible for the rate-determining steps. It was found that Lagergren pseudo-second-order kinetic model was the best-fit model to describe the adsorption behavior of REE ions onto the novel materials and membranes. Other models determined the process of chemisorption was in force for the analyzed cases, and the mechanisms controlling the adsorption processes are diffusion-chemisorption and adsorption is mostly controlled by film diffusion. Additionally, characteristic parameters, such as qe designated from two different models, showed very similar values, which indicates the correctness of the analysis.
Transport of Chromium(VI) across a Supported Liquid Membrane Containing Cyanex 921 or Cyanex 923 Dissolved in Solvesso 100 as Carrier Phase: Estimation of Diffusional Parameters
Authors: Alguacil Francisco J. , Robla Jose I.
Published: February 2023

An investigation of chromium(VI) transport across a supported liquid membrane containing the phosphine oxides Cyanex 921 and Cyanex 923 dissolved in Solvesso 100 as carrier phases was carried out in batch operation mode. Chromium(VI) transport was investigated as a function of different variables: hydrodynamic conditions in the feed (1000–1600 min−1) and stripping (600–1500 min−1) phases, HCl (0.25–2 M) and indium (0.01–0.1 g/L) concentrations in the feed phase, and carrier (0.01 M–0.75 M) concentration in the membrane phase. Indium was recovered in the stripping phase using hydrazine sulphate solutions, and, at the same time, chromium(VI) was reduced to the less harmful Cr(III) oxidation state. Models describing the transport mechanism comprising a diffusion process through the feed aqueous diffusion layer, fast interfacial chemical reaction, and diffusion of the respective chromium(VI)–phosphine oxide complexes across the membrane were developed. The equations describing the rate of transport correlate the membrane permeability coefficient with diffusion and equilibrium parameters, as well as the chemical compositions of the respective metal–carrier phases. The models were used to calculate diffusional parameters for each metal–carrier system, and the minimum thickness of the feed boundary layer was calculated as 1 × 10−3 cm and 6.3 × 10−4 cm for the Cr(VI)-Cyanex 921 and Cr(VI)-Cyanex 923 systems, respectively.
Model Catanionic Vesicles from Biomimetic Serine-Based Surfactants: Effect of the Combination of Chain Lengths on Vesicle Properties and Vesicle-to-Micelle Transition
Authors: Oliveira Isabel , Silva Sandra , do Vale Maria , Marques Eduardo
Published: February 2023

Mixtures of cationic and anionic surfactants often originate bilayer structures, such as vesicles and lamellar liquid crystals, that can be explored as model membranes for fundamental studies or as drug and gene nanocarriers. Here, we investigated the aggregation properties of two catanionic mixtures containing biomimetic surfactants derived from serine. The mixtures are designated as 12Ser/8-8Ser and 14Ser/10-10Ser, where mSer is a cationic, single-chained surfactant and n-nSer is an anionic, double-chained one (m and n being the C atoms in the alkyl chains). Our goal was to investigate the effects of total chain length and chain length asymmetry of the catanionic pair on the formation of catanionic vesicles, the vesicle properties and the vesicle/micelle transitions. Ocular observations, surface tension measurements, video-enhanced light microscopy, cryogenic scanning electron microscopy, dynamic and electrophoretic light scattering were used to monitor the self-assembly process and the aggregate properties. Catanionic vesicles were indeed found in both systems for molar fractions of cationic surfactant ≥0.40, always possessing positive zeta potentials (ζ = +35–50 mV), even for equimolar sample compositions. Furthermore, the 14Ser/10-10Ser vesicles were only found as single aggregates (i.e., without coexisting micelles) in a very narrow compositional range and as a bimodal population (average diameters of 80 and 300 nm). In contrast, the 12Ser/8-8Ser vesicles were found for a wider sample compositional range and as unimodal or bimodal populations, depending on the mixing ratio. The aggregate size, pH and zeta potential of the mixtures were further investigated. The unimodal 12Ser/8-8Ser vesicles ( ≈ 250 nm, pH ≈ 7–8, ζ ≈ +32 mV and a cationic/anionic molar ratio of ≈2:1) are particularly promising for application as drug/gene nanocarriers. Both chain length asymmetry and total length play a key role in the aggregation features of the two systems. Molecular insights are provided by the main findings.
Influences of Second Phase Particle Precipitation, Coarsening, Growth or Dissolution on the Pinning Effects during Grain Coarsening Processes
Authors: Li Zhiqiang , Zhang Shengyang , He Yang , Peng Fei , Liu Yude
Published: February 2023

A cellular automata model was established to simulate grain coarsening processes pinned by second-phase particles. The influences of particle coarsening, precipitation, growth and dissolution, which contain complex changes of size and number density of the particles, on the grain coarsening kinetics were investigated by considering the following two factors: average pinning force per particle and particle number density. The simulation results showed that the average pinning force per particle was related to the particle size, but little influenced by the particle number density. The investigations about the grain boundary/particles interactions showed that the increase of number fraction of particles, which located at the grain boundary junctions, should be the reason for the increase of average pinning force per particle. Then the limiting grain size was researched and compared to the results of some other models. The results showed that the average number of particles to stagnate a grain was related to both the number density and size of particles. At last, the comparisons between the present simulation results and the other simulation and experimental results showed that the present models were efficient in simulating the grain coarsening processes pinned by second-phase particles.
Effect of Temperature on Tribological Behavior of FeCrNi Medium Entropy Alloy
Authors: Fu Ao , Xie Zhonghao , He Weiwei , Cao Yuankui
Published: February 2023

FeCrNi medium entropy alloy (MEA) is a promising structural material due to its outstanding mechanical properties and corrosion resistance. However, study on the high-temperature tribological behaviors of FeCrNi MEA is still scarce. This work investigates the tribological performances of the FeCrNi MEA against Si3N4 balls over typical operating temperatures from 25 to 800 °C. The FeCrNi MEA exhibits excellent wear resistance at an intermediate temperature of 600 °C. The microstructure characterization of the wear tracks reveals a transition in the wear mechanism from abrasive wear at 25 °C to oxidative-delamination wear at 600 °C. The improved tribological performances are mainly attributed to the high Cr content, which promotes the formation of the compact oxide layer and the precipitation of the hard sigma (σ) phase.
A Feasibility Study on Mixed Reality-Based Visualization and Interaction Tool for Performance Improvement of Metal Cutting Processes
Authors: James Sagil , Eckert George
Published: February 2023

Modern CNC machining industries rely on the application of high-technology virtual simulations such as Finite Element Analysis (FEA) to become economically competitive, improve productivity, and ensure sustainability. However, the traditional way of using FEA in CNC machining industries is to perform the virtual studies at a completely offline location, that often leads to erroneous results, along with massive wastage of resources, time, and money. Real-time FEA is an emerging technique that generates real-time solutions in response to actual load variations. This research aims to integrate real-time FEA results with the corresponding real CNC machining process using Mixed Reality (MR) technologies to facilitate the machining operations to be economically competitive with higher efficiencies and improved sustainability. The proposed MR-based system enhances the real-time decision-making capability of the CNC machine operator. The preliminary results show that the use of real-time FEA could significantly improve the CNC machining results.
Predictive Modeling of the Hot Metal Sulfur Content in a Blast Furnace Based on Machine Learning
Authors: Zhang Song , Jiang Dewen , Wang Zhenyang , Wang Feiwang , Zhang Jianliang , Zong Yanbing , Zeng Shuigen
Published: February 2023

The sulfur content of hot metal in a blast furnace is an important index that reflects the production effects and quality of the hot metal. Establishing an accurate prediction model for hot metal sulfur content can guide the production process. In the present study, the blast furnace production data were collected and then preprocessed using box plotting. Cross-validation was used in the training process of the model to improve the generalization performance and robustness of the model. Two models for predicting the sulfur content in hot metal were established based on extreme gradient boosting (XGBoost) and multilayer perceptron (MLP) algorithms. The results show that coal consumption (CC), coal ratio (CLR), and sinter consumption (SC) are all positively correlated with hot metal sulfur content. The oxygen enrichment rate (OER) was negatively related to hot metal sulfur content. Both the extreme gradient boosting (XGBoost) and multilayer perceptron (MLP) models predicted hot metal sulfur content effectively; however, the extreme gradient boosting (XGBoost) model had a higher hit rate, accuracy, and stability, with the hit rate achieving 95.07%.
Optimization of the Pressure Resistance Welding Process for Nuclear Fuel Cladding Coupling Experimental and Numerical Approaches
Authors: Mabrouki Mohamed , Gonçalves Diogo , Pascal Serge , Bertheau Denis , Henaff Gilbert , Poulon-Quintin Angéline
Published: February 2023

An approach coupling experimental tests and numerical simulation of the pressure resistance welding (PRW) process is proposed for optimizing fuel cladding welds for the new generation of nuclear reactors. Several experimental welds were prepared by varying the dissipated energy, which accounts for the effect of electric current and welding time applied during the PRW process. A working zone, a function of both applied dissipated weld energy and plug-displacement, was then identified on the basis of the microscopy observations of the weld defects. In addition, the numerical approach, based on a 2D axisymmetric multi-physics finite element model, was developed to simulate the PRW process in a plug-tube configuration. The proposed model accounted for interactions between the electrical, thermal and mechanical phenomena and the electro-thermo-mechanical contact between the pieces and electrodes. Numerical simulations were first validated by comparison to experimental measurements, notably by comparing the plug-displacement and the size and position of the heat-affected zone (HAZ). They were then used to assess the effect of the applied parameters on the maximum temperature and cumulated plastic strain reached during welding and the effect of the welding force on the quality of the weld. According to the numerical computations, the maximum temperature reached in the weld remains well below the melting temperature. Changing the welding force implies also modifying the applied energy in order to maintain the quality of the welds. Applied to different plug and clad geometries, the proposed model was shown to be useful for optimizing the joint plane for such a welding configuration.
Numerical Analysis of Factors Affecting the Burden Surface and Porosity Distribution in the Upper Part of the Blast Furnace
Authors: Wei Han , Saxén Henrik , Yu Yaowei
Published: February 2023

A proper burden and porosity distribution of the bed in the upper shaft are important prerequisites for realizing a stable and efficient operation of the ironmaking blast furnace. The discrete element method was used to investigate the effects of the static friction coefficient between burden particles and shaft angle on the burden profile and porosity distribution in the bed formed by charging the burden with a bell-less charging equipment. The results indicate that a large static friction coefficient makes the particles stay closer to the impact point (i.e., where they fall) from the rotating chute. A large mixed region of the burden bed decreases the gas permeability, and an increase in the burden particle roughness will worsen this problem. The burden surface shape becomes flatter with an increase in the shaft angle. These findings explain the effect of particle properties and wall geometry on the inner structure of the burden bed.
Influence of HPDC Process Parameters on the Microstructure of EC Electromotor Housing
Authors: Brůna Marek , Medňanský Martin , Matejka Marek , Podprocká Radka
Published: February 2023

The mechanical properties of high-pressure die-casted parts are directly influenced by their microstructure. This article aims to evaluate the effect of the fast-shot speed on the structural component and overall microstructure for two geometrically different castings. The material used during experimental works is commonly known as the AlSi9Cu3(Fe) alloy. For experimental purposes, numerical simulations, microstructural and EDS analysis, the DAS index, length of eutectic Si plates and more were implemented. The simulations have shown the possibility of air entrapment in the filling chamber. Oxides, and consequently microporosity, were localized, which led to the selection of critical points of the casts for further observation and evaluation. With the use of the optical/scanning microscope and microhardness evaluation, the fast-shot speed value of 3.6 m.s−1 was selected as the most advantageous.
Beneficiation of Low-Grade Dilband Iron Ore by Reduction Roasting
Authors: Chandio Ali Dad , Channa Iftikhar Ahmed , Shaikh Asif Ahmed , Madad Shabbir , Rizvi Syed Bilal Hasan , Shah Aqeel Ahmed , Ashfaq Jaweria , Ali Shar Muhammad , Alhazaa Abdulaziz
Published: February 2023

This research is aimed at the up-gradation of indigenous Pakistani iron ore, i.e., Dilband iron ore (hematite), by utilizing common metallurgical processes. First, the magnetic properties of the ore were determined. Initially, the iron ore samples contained 34 wt. % Fe in addition to other gangue materials. Therefore, the ore was subjected to a high-temperature reduction roasting process between 800 °C and 1000 °C. Additionally, the magnetic separation process was also employed. The influence of different roasting parameters, such as the reduction time, coal-to-ore ratio, and temperature, was examined. This was followed by characterization techniques using XRD (X-ray diffraction analysis), the Rietveld method, wet chemistry analysis, and a VSM (Vibrating Sample Magnetometer). The results suggest an excellent reduction at 900 °C for a coal/ore ratio of 20 wt. %, which was achieved within 2 h of the process. The Fe concentration increased tremendously from 34 to 56 wt. %, and in conjunction, magnetic properties were also induced (1.5 emu). The recovery was found to be substantial for the ore when the Fe content was 75 wt. %. Additionally, the economic feasibility of the processed ore was also studied, followed by an extensive analysis of the roasting and magnetic separation processes.
Divergent Metabolomic Signatures of TGFβ2 and TNFα in the Induction of Retinal Epithelial-Mesenchymal Transition
Authors: Ng Pei Qin , Saint-Geniez Magali , Kim Leo A. , Shu Daisy Y.
Published: February 2023

Epithelial-mesenchymal transition (EMT) is a dedifferentiation program in which polarized, differentiated epithelial cells lose their cell-cell adhesions and transform into matrix-producing mesenchymal cells. EMT of retinal pigment epithelial (RPE) cells plays a crucial role in many retinal diseases, including age-related macular degeneration, proliferative vitreoretinopathy, and diabetic retinopathy. This dynamic process requires complex metabolic reprogramming to accommodate the demands of this dramatic cellular transformation. Both transforming growth factor-beta 2 (TGFβ2) and tumor necrosis factor-alpha (TNFα) have the capacity to induce EMT in RPE cells; however, little is known about their impact on the RPE metabolome. Untargeted metabolomics using high-resolution mass spectrometry was performed to reveal the metabolomic signatures of cellular and secreted metabolites of primary human fetal RPE cells treated with either TGFβ2 or TNFα for 5 days. A total of 638 metabolites were detected in both samples; 188 were annotated as primary metabolites. Metabolomics profiling showed distinct metabolomic signatures associated with TGFβ2 and TNFα treatment. Enrichment pathway network analysis revealed alterations in the pentose phosphate pathway, galactose metabolism, nucleotide and pyrimidine metabolism, purine metabolism, and arginine and proline metabolism in TNFα-treated cells compared to untreated control cells, whereas TGFβ2 treatment induced perturbations in fatty acid biosynthesis metabolism, the linoleic acid pathway, and the Notch signaling pathway. These results provide a broad metabolic understanding of the bioenergetic rewiring processes governing TGFβ2- and TNFα-dependent induction of EMT. Elucidating the contributions of TGFβ2 and TNFα and their mechanistic differences in promoting EMT of RPE will enable the identification of novel biomarkers for diagnosis, management, and tailored drug development for retinal fibrotic diseases.
In-Vitro Cell Response to Strontium/Magnesium-Doped Calcium Phosphate Nanoparticles
Authors: Kostka Kathrin , Hosseini Shabnam , Epple Matthias
Published: February 2023

Calcium phosphate nanoparticles are highly biocompatible and biodegradable in bone regeneration. On the other hand, strontium and magnesium enhance the formation of bone. The substitution of calcium by strontium and magnesium is an efficient way to improve the biological properties of calcium phosphate-based biomaterials. Strontium-doped calcium phosphate nanoparticles and magnesium-doped calcium phosphate nanoparticles with degrees of cation substitution of 5, 10, 15, and 20 mol% with respect to calcium were prepared by precipitation, followed by surface functionalization with polyethyleneimine (PEI, cationic) or carboxymethylcellulose (CMC, anionic). The nanoparticles were characterized by dynamic light scattering (DLS), zeta potential measurement, scanning electron microscopy (SEM), atomic absorption spectrometry (AAS), energy dispersive X-ray analysis (EDX), and X-ray powder diffraction (XRD). The particles were approximately spherical (diameter 40–70 nm). The addition of magnesium and strontium considerably decreased the internal crystallinity, i.e., the doped particles were almost X-ray amorphous. The cell-biological effects were assessed on three different cell lines, i.e., HeLa cells, MG63 cells, and MC3T3 cells. Cell viability tests (MTT) showed a low cytotoxicity, the alkaline phosphatase (ALP) activity was strongly increased, and the nanoparticles were taken up well by the three cell lines.
Bacteriophage Infection of the Marine Bacterium Shewanella glacialimarina Induces Dynamic Changes in tRNA Modifications
Authors: Lampi Mirka , Gregorova Pavlina , Qasim M. Suleman , Ahlblad Niklas C. V. , Sarin L. Peter
Published: February 2023

Viruses are obligate intracellular parasites that, throughout evolution, have adapted numerous strategies to control the translation machinery, including the modulation of post-transcriptional modifications (PTMs) on transfer RNA (tRNA). PTMs are critical translation regulators used to further host immune responses as well as the expression of viral proteins. Yet, we lack critical insight into the temporal dynamics of infection-induced changes to the tRNA modification landscape (i.e., ‘modificome’). In this study, we provide the first comprehensive quantitative characterization of the tRNA modificome in the marine bacterium Shewanella glacialimarina during Shewanella phage 1/4 infection. Specifically, we show that PTMs can be grouped into distinct categories based on modification level changes at various infection stages. Furthermore, we observe a preference for the UAC codon in viral transcripts expressed at the late stage of infection, which coincides with an increase in queuosine modification. Queuosine appears exclusively on tRNAs with GUN anticodons, suggesting a correlation between phage codon usage and PTM modification. Importantly, this work provides the basis for further studies into RNA-based regulatory mechanisms employed by bacteriophages to control the prokaryotic translation machinery.
β-Alanine Metabolism Leads to Increased Extracellular pH during the Heterotrophic Ammonia Oxidation of Pseudomonas putida Y-9
Authors: Nie Ming , Li Kaili , Li Zhenlun
Published: February 2023

The mechanisms underlying the increase in external pH caused by heterotrophic nitrification and aerobic denitrification microorganisms during ammonia oxidation were unclear. This work demonstrated that after culturing Pseudomonas putida Y-9 for 60 h in a medium with ammonium nitrogen as the sole nitrogen source at an initial pH of 7.20, the pH value increased to 9.21. GC-TOF-MS analysis was used to compare the significantly regulated metabolites and related metabolic pathways between different time points. The results showed that the consumption of H+ in the conversion of malonic acid to 3-hydroxypropionic acid in the β-alanine metabolic pathway was the main reason for the increase in pH. RT-qPCR confirmed that the functional gene ydfG dominated the consumption of H+. This study provides new research ideas for the change of external pH caused by bacterial metabolism and further expands the understanding of the interaction between bacteria and the environment.
First Records of Possibly Human Pathogenic Rickettsia Species in Bat Ticks, Carios vespertilionis, in Sweden
Authors: Tompa Eszter , Jaenson Thomas G. T. , Wilhelmsson Peter
Published: February 2023

The Soprano pipistrelle bat, Pipistrellus pygmaeus, is a common species in large parts of Sweden. Many of its natural habitats are near human habitations. This creates opportunities for ticks infesting these bats to encounter humans and possibly transmit zoonotic pathogens by tick bites. The bats are often infested with Carios vespertilionis, a tick species that, in addition to bats, has been recorded to bite humans on occasion. This study aimed to investigate if C. vespertilionis acts as a reservoir for Anaplasma phagocytophilum, Neoehrlichia mikurensis, Tick-borne encephalitis virus, and species of Babesia and Rickettsia and to improve currently used conventional PCR protocols for molecular species determination of Rickettsia spp. Ninety-two C. vespertilionis ticks were collected from underneath a bat-box harbouring P. pygmaeus. Pathogen-specific PCR assays showed that 58.4% were positive for Rickettsia spp. and negative for the other pathogens analysed. Phylogenetic analyses indicate that the species belong to R. parkeri, R. conorii, R. slovaca, R. sibirica subsp. mongolotimonae, R. rickettsii, and a hitherto uncultured Rickettsia sp. Several of these species are considered pathogenic to humans. Given the ecology and behaviour of C. vespertilionis, it may be a vector of these rickettsiae among bats and occasionally humans. To determine the Rickettsia species with certainty, and to determine if C. vespertilionis may be a reservoir and vector of the Rickettsia spp., further studies are needed.
Geochemical Characteristics of Iron in a Sediment Core at 63°40′ E, Eastern Southwest Indian Ridge: Implications on Regional Hydrothermal Activities and Source Origin
Authors: Linsy P. , Surya Prakash L. , Roy Parijat , Shuhail Muhammad , Kurian P. John
Published: February 2023

Iron is a limiting nutrient in the marine biogeochemical cycle, and hydrothermal processes at mid-ocean ridges are well-known as one of its sources to the water column. However, a major portion of the hydrothermal iron is precipitated near the source and plays an essential role in oceanic elemental cycling. Here, we carried out a detailed study on the geochemical characteristics of Fe, using a sequential chemical extraction protocol, in a short sediment core collected from the eastern Southwest Indian Ridge (SWIR) to understand the iron association in individual mineral phases. Major and trace and rare-earth element concentrations, positive europium anomaly, and rare-earth fractionation show that the source components in the sediment core are composed of biogenic, local mafic, ultramafic, and hydrothermal origin. Solid-phase Fe speciation results indicate that >60% of Fe is associated with the Fe-oxides phase and indicate the hydrothermal plume particulates settled from the water column. A relatively low concentration of Fe associated with the pyrite and silicate (FeRes) phase suggests an erosion of sulphide and silicate minerals from the nearby vent field. The down-core variation reflects the transformation of primary ferrihydrite to more stable oxide mineral goethite/hematite and, to some extent, the formation of silicate minerals.
A Review of Fatty Acid Collectors: Implications for Spodumene Flotation
Authors: Cook Brian Kawenski , Gibson Charlotte E.
Published: February 2023

Increasing demand for lithium-ion batteries has led to the development of several new lithium mineral projects around the globe. Some major mineral processing challenges these projects face are similarities in gangue and value mineral behaviour and poor selectivity in froth flotation. Unsaturated anionic fatty acids are the primary spodumene flotation collectors, known to be strong collectors with poor solubility and selectivity. Fundamental flotation research consensus is that spodumene flotation is driven by a fatty acid–anion complex adsorbed at cationic aluminum sites. However, many small-scale studies result in poor recoveries, prompting several researchers to investigate cationic activators or mixed anionic/cationic collectors to improve flotation performance. Testwork with real spodumene ore is rare in recent literature, but older publications from several deposits prove that fatty acids can successfully concentrate spodumene. The process generally includes alkaline scrubbing, high-density fatty acid conditioning, and flotation at pH 7.5–8.5 with 500–750 g/t fatty acid collector. The collector speciation behaviour is notably sensitive to pulp conditions around this pH; possibly resulting in unstable flotation circuits and inconsistent results. This paper reviews fatty acid collector properties and the available industrial and fundamental spodumene flotation research. We aim to provide new insight for understanding particle-collector interactions in spodumene flotation and help bridge the gap between fundamental and industrial processes which will be needed to de-risk projects in the growing lithium mineral industry.
Recognition Site Modifiable Macrocycle: Synthesis, Functional Group Variation and Structural Inspection
Authors: Fan Linmeng , Du Min , Kong Lichun , Cai Yan , Hu Xiaobo
Published: February 2023

Traditional macrocyclic molecules encode recognition sites in their structural backbones, which limits the variation of the recognition sites and thus, would restrict the adjustment of recognition properties. Here, we report a new oligoamide-based macrocycle capable of varying the recognition functional groups by post-synthesis modification on its structural backbone. Through six steps of common reactions, the parent macrocycle (9) can be produced in gram scale with an overall yield of 31%. The post-synthesis modification of 9 to vary the recognition sites are demonstrated by producing four different macrocycles (10–13) with distinct functional groups, 2-methoxyethoxyl (10), hydroxyl (11), carboxyl (12) and amide (13), respectively. The 1H NMR study suggests that the structure of these macrocycles is consistent with our design, i.e., forming hydrogen bonding network at both rims of the macrocyclic backbone. The 1H-1H NOESY NMR study indicates the recognition functional groups are located inside the cavity of macrocycles. At last, a preliminary molecular recognition study shows 10 can recognize n-octyl-β-D-glucopyranoside (14) in chloroform.
Triphenylborane in Metal-Free Catalysis
Authors: Mummadi Suresh , Krempner Clemens
Published: February 2023

The development and application of new organoboron reagents as Lewis acids in synthesis and metal-free catalysis have dramatically expanded over the past 20 years. In this context, we will show the recent uses of the simple and relatively weak Lewis acid BPh3—discovered 100 years ago—as a metal-free catalyst for various organic transformations. The first part will highlight catalytic applications in polymer synthesis such as the copolymerization of epoxides with CO2, isocyanate, and organic anhydrides to various polycarbonate copolymers and controlled diblock copolymers as well as alternating polyurethanes. This is followed by a discussion of BPh3 as a Lewis acid component in the frustrated Lewis pair (FLP) mediated cleavage of hydrogen and hydrogenation catalysis. In addition, BPh3-catalyzed reductive N-methylations and C-methylations with CO2 and silane to value-added organic products will be covered as well along with BPh3-catalyzed cycloadditions and insertion reactions. Collectively, this mini-review showcases the underexplored potential of commercially available BPh3 in metal-free catalysis.
On-Chip Antifouling Gel-Integrated Microelectrode Arrays for In Situ High-Resolution Quantification of the Nickel Fraction Available for Bio-Uptake in Natural Waters
Authors: Creffield Sébastien , Tercier-Waeber Mary-Lou , Gressard Tanguy , Bakker Eric , Layglon Nicolas
Published: February 2023

We aimed to monitor in situ nickel (Ni(II)) concentrations in aquatic systems in the nanomolar range. To achieve this, we investigated whether an analytical protocol for the direct quantification of cobalt (Co(II)) using adsorptive cathodic sweep voltammetry (Ad-CSV) on antifouling gel-integrated microelectrode arrays (GIME) we recently developed is also suitable for direct Ni(II) quantification. The proposed protocol consists of the reduction of the complex formed between Ni(II) (or Ni(II) and Co(II)) and nioxime adsorbed on the surface of the GIME-sensing element. The GIME enables to (i) avoid fouling, (ii) control the metal complex mass transport and, when interrogated by Ad-CSV, (iii) selectively determine the dynamic (kinetically labile Ni-nioxime) fraction that is potentially bioavailable. The nioxime concentration and pH were optimized. A temperature correction factor was determined. The limit of detection established for 90 s of accumulation time was 0.43 ± 0.06 in freshwater and 0.34 ± 0.02 nM in seawater. The sensor was integrated in a submersible probe in which the nioxime-containing buffer and the sample were mixed automatically. In situ field measurements at high resolution were successfully achieved in Lake Geneva during a diurnal cycle. The determination of the kinetically labile Ni-nioxime fraction allows one to estimate the potential ecotoxicological impact of Ni(II) in Lake Geneva. Additional Ni fractions were measured by ICP-MS and coupled to the in situ Ad-CSV data to determine the temporal Ni(II) speciation.
Prolonged Repellent Activity of Plant Essential Oils against Dengue Vector, Aedes aegypti
Authors: Haris Abdullah , Azeem Muhammad , Abbas Muhammad Ghazanfar , Mumtaz Muhammad , Mozūratis Raimondas , Binyameen Muhammad
Published: February 2023

Repellents are effective personal protective means against outdoor biting mosquitoes. Repellent formulations composed of EOs are finding increased popularity among consumers. In this study, after an initial screening of 11 essential oils (EOs) at the concentration of 33 μg/cm2, five of the most repellent EOs, Perovskia atriplicifolia, Citrus reticulata (fruit peels), C. reticulata (leaves), Mentha longifolia, and Dysphania ambrosioides were further investigated for repellent activity against Aedes aegypti mosquitoes in time span bioassays. When tested at the concentrations of 33 μg/cm2, 165 μg/cm2 and 330 μg/cm2, the EO of P. atriplicifolia showed the longest repellent effect up to 75, 90 and 135 min, respectively, which was followed by C. reticulata (peels) for 60, 90 and 120 min, M. longifolia for 45, 60 and 90 min, and C. reticulata (leaves) for 30, 45 and 75 min. Notably, the EO of P. atriplicifolia tested at the dose of 330 μg/cm2 showed complete protection for 60 min which was similar to the commercial mosquito repellent DEET. Gas chromatographic-mass spectrometric analyses of the EOs revealed camphor (19.7%), limonene (92.7%), sabinene (24.9%), carvone (82.6%), and trans-ascaridole (38.8%) as the major constituents of P. atriplicifolia, C. reticulata (peels), C. reticulata (leaves), M. longifolia, and D. ambrosioides, respectively. The results of the present study could help develop plant-based commercial repellents to protect humans from dengue mosquitoes.
Stabilization of Anthocyanins from Coffee (Coffea arabica L.) Husks and In Vivo Evaluation of Their Antioxidant Activity
Authors: Lozada-Ramírez José Daniel , Guerrero-Moras María Cristina , González-Peña Marco Antonio , Silva-Pereira Taisa Sabrina , Anaya de Parrodi Cecilia , Ortega-Regules Ana E.
Published: February 2023

Coffee (Coffea arabica L.) is one of the most popular and widely consumed products throughout the world, mainly due to its taste, aroma, caffeine content, and natural antioxidants. Among those antioxidants, anthocyanins are one of the most important natural pigments, which can be found in coffee husks. It is widely known that anthocyanins have multiple health benefits partially linked to their antioxidant properties. However, anthocyanins have low stability and are sensitive to all types of changes. In order to prevent its degradation, anthocyanins can be stabilized with nanoparticles. Thus, the main objective of this study was to evaluate the stability of the anthocyanins extracted from coffee husks, using three different extracting agents (ethanol, methanol, and water) and stabilizing them through conjugation with zinc oxide nanoparticles. The anthocyanins extracts were mainly composed of cyanidin-3-rutinoside (97%) and the total phenolic compounds of the fresh extracts were 458.97 ± 11.32 (methanol), 373.53 ± 12.74 (ethanol), and 369.85 ± 15.93 (water) mg GAE/g. On the other hand, the total phenolic compounds of the nanoparticle–anthocyanin conjugates underwent no significant changes after stabilization as the major loss was less than 3%. Furthermore, the percentage of anthocyanins’ degradation was less than 5% after 12 weeks of storage. On top of that, fresh anthocyanin extracts and anthocyanin–nanoparticle conjugates exhibited a strong protective effect against oxidative stress and increased the survival rate of Caenorhabditis elegans.
Targeting Nrf2 and NF-κB Signaling Pathways in Cancer Prevention: The Role of Apple Phytochemicals
Authors: Gado Francesca , Ferrario Giulio , Della Vedova Larissa , Zoanni Beatrice , Altomare Alessandra , Carini Marina , Aldini Giancarlo , D’Amato Alfonsina , Baron Giovanna
Published: February 2023

Plant secondary metabolites, known as phytochemicals, have recently gained much attention in light of the “circular economy”, to reutilize waste products deriving from agriculture and food industry. Phytochemicals are known for their onco-preventive and chemoprotective effects, among several other beneficial properties. Apple phytochemicals have been extensively studied for their effectiveness in a wide range of diseases, cancer included. This review aims to provide a thorough overview of the main studies reported in the literature concerning apple phytochemicals, mostly polyphenols, in cancer prevention. Although there are many different mechanisms targeted by phytochemicals, the Nrf2 and NF-κB signaling pathways are the ones this review will be focused on, highlighting also the existing crosstalk between these two systems.
Evaluation of Ruthenium(II) N-Heterocyclic Carbene Complexes as Enzymatic Inhibitory Agents with Antioxidant, Antimicrobial, Antiparasitical and Antiproliferative Activity
Authors: Al Nasr Ibrahim S. , Koko Waleed S. , Khan Tariq A. , Gürbüz Nevin , Özdemir Ismail , Hamdi Naceur
Published: February 2023

A series of [RuCl2(p-cymene)(NHC)] complexes were obtained by reacting [RuCl2(p-cymene)]2 with in situ generated Ag-N-heterocyclic carbene (NHC) complexes. The structure of the obtained complexes was determined by the appropriate spectroscopy and elemental analysis. In addition, we evaluated the biological activities of these compounds as antienzymatic, antioxidant, antibacterial, anticancer, and antiparasitic agents. The results revealed that complexes 3b and 3d were the most potent inhibitors against AchE with IC50 values of 2.52 and 5.06 μM mL−1. Additionally, 3d proved very good antimicrobial activity against all examined microorganisms with IZ (inhibition zone) over 25 mm and MIC (minimum inhibitory concentration) < 4 µM. Additionally, the ligand 2a and its corresponding ruthenium (II) complex 3a had good cytotoxic activity against both cancer cells HCT-116 and HepG-2, with IC50 values of (7.76 and 11.76) and (4.12 and 9.21) μM mL−1, respectively. Evaluation of the antiparasitic activity of these complexes against Leishmania major promastigotes and Toxoplasma gondii showed that ruthenium complexes were more potent than the free ligand, with an IC50 values less than 1.5 μM mL−1. However, 3d was found the best one with SI (selectivity index) values greater than 5 so it seems to be the best candidate for antileishmanial drug discovery program, and much future research are recommended for mode of action and in vivo evaluation. In general, Ru-NHC complexes are the most effective against L. major promastigotes.
Porous Framework Materials for Bioimaging and Cancer Therapy
Authors: Jin Meng , Zhao Yingying , Guan Zong-Jie , Fang Yu
Published: February 2023

Cancer remains one of the most pressing diseases in the world. Traditional treatments, including surgery, chemotherapy, and radiotherapy still show certain limitations. Recently, numerous cancer treatments have been proposed in combination with novel materials, such as photothermal therapy, chemodynamic therapy, immunotherapy, and a combination of therapeutic approaches. These new methods have shown significant advantages in reducing side effects and synergistically enhancing anti-cancer efficacy. In addition to the above approaches, early diagnosis and in situ monitoring of lesion areas are also important for reducing side effects and improving the success rate of cancer therapy. This depends on the decent use of bioimaging technology. In this review, we mainly summarize the recent advances in porous framework materials for bioimaging and cancer therapy. In addition, we present future challenges relating to bioimaging and cancer therapy based on porous framework materials.
Effects of Chitosan Molecular Weight and Degree of Deacetylation on Chitosan−Cellulose Nanocrystal Complexes and Their Formation
Authors: Wang Hezhong , Roman Maren
Published: February 2023

This study was conducted to determine the effects of chitosan molecular weight and degree of deacetylation (DD) on chitosan–cellulose nanocrystal (CNC) polyelectrolyte–macroion complexes (PMCs) and their formation. Chitosan samples with three different molecular weights (81, 3 · 103, 6 · 103 kDa) and four different DDs (77, 80, 85, 89%) were used. The effects on PMC formation were determined by turbidimetric titration. An effect of the molecular weight of chitosan was not observed in turbidimetric titrations. Turbidity levels were higher for CNCs with lower sulfate group density and larger hydrodynamic diameter than for CNCs with higher sulfate group density and smaller hydrodynamic diameter. Conversely, turbidity levels were higher for chitosans with higher DD (higher charge density) than for chitosans with lower DD (lower charge density). PMC particles from chitosans with different molecular weights were characterized by scanning electron microscopy, laser Doppler electrophoresis, and dynamic light scattering. PMCs from high-molecular-weight chitosan were more spherical and those from medium-molecular-weight chitosan had a slightly larger hydrodynamic diameter than PMCs from the respective other two chitosans. The molecular weight of the chitosan was concluded to have no effect on the formation of chitosan–CNC PMC particles and only a minor effect on the shape and size of the particles. The higher turbidity levels for CNCs with lower sulfate group density and larger hydrodynamic diameter and for chitosans with higher DD were attributed to a larger number of CNCs being required for charge compensation.
Correlation between Chemical Profile of Georgian Propolis Extracts and Their Activity against Helicobacter pylori
Authors: Widelski Jarosław , Okińczyc Piotr , Suśniak Katarzyna , Malm Anna , Bozhadze Anna , Jokhadze Malkhaz , Korona-Głowniak Izabela
Published: February 2023

Helicobacter pylori (H. pylori) is considered the most common bacterial pathogen colonizing stomach mucosa of almost half the world’s population and is associated with various gastrointestinal diseases (from digestive problems and ulcers to gastric cancer). A lack of new drugs and a growing number of H. pylori antibiotic-resistant strains is a serious therapeutic problem.As a mixture of natural compounds, propolis has antimicrobial activity based on high concentrations of bioactive polyphenols (mainly flavonoids and phenolic acid derivates). The chemical composition of tested Georgian propolis is characterized by the presence of flavonoids aglycones, and phenolic acid monoesters, e.g., pinobanksin-5-methyl ether, pinobanksin, chrysin, pinocembrin, galangin, pinobanksin-3-O-acetate, pinostrobin and pinobanksin-3-O-butanoate, or isobutanoate and methoxycinnamic acid cinnamyl ester. The anti-H. pylori activity of 70% ethanol water extracts of 10 Georgian propolis samples was evaluated in vitro by MIC (minimal inhibitory concentration) against the reference strain (H. pylori ATCC 43504) and 10 clinical strains with different antibiotic-resistance patterns. The strongest anti-Helicobacter activity (MIC and MBC = 31.3 µg/mL) was observed for propolis from Orgora, Ota, and Vardzia and two from Khaheti. Lower levels of activity (MIC = 62.5 µg/mL) were found in propolis obtained from Qvakhreli and Pasanauri, while the lowest effect was observed for Norio and Mestia (MIC = 125.0 µg/mL). However, despite differences in MIC, all evaluated samples exhibited bactericidal activity. We selected the most active propolis samples for assessment of urease inhibition property. Enzyme activity was inhibited by propolis extracts, with IC50 ranging from 4.01 to 1484.8 µg/mL. Principal component analysis (PCA) and hierarchical fuzzy clustering (dendrograms) coupled with matrix correlation analysis exhibited that the strongest anti-Helicobacter activity was connected with black poplar origin and high flavonoid content of propolis. Samples with lower activity contained higher presence of aspen markers and/or dominance of non-flavonoid polyphenols over flavonoids. In summary, Georgian propolis can be regarded as a source bioactive compounds that can be used as adjuvant in therapy of H. pylori infection.