bluuebunny/crossref_metadata_2025 huggingface dataset:
Petrogenesis of the Laoshan Suite in the Jiaodong Peninsula (Eastern China): An Oxidized Low Ba–Sr A1-Type Granite
Authors: Li Jian , Wang Changwei , Song Mingchun , Wang Changjiang , Li Shiyong , Liu Xiao , Cui Qingyi
Published: July 2023

The Jiaodong Peninsula is closely related to Mesozoic granites in terms of spatial and temporal aspects. However, the specific association between the genesis of gold mineralization and these granites remains unclear. It is also ambiguous why Laoshan-type granites, which are similar to Mesozoic granites, are not gold mineralized. In this study, we analyzed the Laoshan granites and compiled Mesozoic magmatic rock data (Linglong, Guojialing, and Weideshan suites) of the Jiaodong Peninsula. We performed whole-rock major and trace elements, LA–ICP–MS zircon U–Pb geochronology and geochemistry analyses. Our zircon U–Pb data denote that the Laoshan granite was emplaced during the 118 ± 1 Ma. The Laoshan granite is characterized by high SiO2 content (76.03–80.28 wt.%), high TFe2O3/MgO (11.1–27.1) and Ga/Al (3.0–3.5) ratios, high zircon saturation temperature (809–850 °C), and negative Eu (Eu/Eu* = 0.05–0.08) anomalies, showing A-type granite characteristics. Furthermore, the Laoshan granite is identified as an A1-type granite with low Ba (33.1–42.0 ppm) and Sr (14.1–21.0 ppm) contents. It was formed in an extensional tectonic environment induced by the subducting slab roll-back of the Paleo-Pacific Plate, mainly from the partial melting of lower crustal materials, mixed with a small amount of mantle components. Zircon trace elements indicate that the Laoshan suite had relatively high oxygen fugacity and temperature (ΔFMQ = + 2.43 to + 4.22, T-Ti in zircon (mean) = 796 °C) compared to the pre-mineralization and contemporaneous mineralization magma. We propose that oxidized adakitic magma (Weideshan suite) may contribute to the enrichment and mineralization of gold. Although Laoshan-type granite also has a high oxygen fugacity, its location is distant from the ore-controlling faults, which ultimately hinders the formation of gold mineralization. From the Jurassic to the Cretaceous, the tectonic and geochemical properties of magmatic rocks in the Jiaodong Peninsula have changed, and gold deposits are formed in such a transitional process (compression to extension, reduction to oxidation).
CO2 Leakage Scenarios in Shale Overburden
Authors: Currenti Gilda , Cantucci Barbara , Montegrossi Giordano , Napoli Rosalba , Misnan M. Shahir , Rashidi M. Rashad Amir , Abu Bakar Zainol Affendi , Harith Zuhar Zahir Tuan , Bahri Nabila Hannah Samsol , Hashim Noorbaizura
Published: July 2023

Potential CO2 leakage from deep geologic reservoirs requires evaluation on a site-specific basis to assess risk and arrange mitigation strategies. In this study, a heterogeneous and realistic numerical model was developed to investigate CO2 migration pathways and uprising time in a shaly overburden, located in the Malaysian off-shore. Fluid flow and reactive transport simulations were performed by TOUGHREACT to evaluate the: (1) seepage through the caprock; (2) CO2-rich brine leakage through a fault connecting the reservoir with seabed. The effect of several factors, which may contribute to CO2 migration, including different rock types and permeability, Fickian and Knudsen diffusion and CO2 adsorption in the shales were investigated. Obtained results show that permeability mainly ruled CO2 uprising velocity and pathways. CO2 migrates upward by buoyancy without any important lateral leakages due to poor-connection of permeable layers and comparable values of vertical and horizontal permeability. Diffusive flux and the Knudsen flow are negligible with respect to the Darcy regime, despite the presence of shales. Main geochemical reactions deal with carbonate and pyrite weathering which easily reach saturation due to low permeability and allowing for re-precipitation as secondary phases. CO2 adsorption on shales together with dissolved CO2 constituted the main trapping mechanisms, although the former represents likely an overestimation due to estimated thermodynamic parameters. Developed models for both scenarios are validated by the good agreement with the pressure profiles recorded in the exploration wells and the seismic data along a fault (the F05 fault), suggesting that they can accurately reproduce the main processes occurring in the system.
Structure and Properties of Water in a New Model of the 10-Å Phase: Classical and Ab Initio Atomistic Computational Modeling
Authors: Tararushkin Evgeny V. , Smirnov Grigory S. , Kalinichev Andrey G.
Published: July 2023

The 10-Å phase is an important member of the family of dense hydrous magnesium silicates (DHMSs) that play a major role in the water budget in the Earth’s upper mantle. Its nominal composition is usually written as Mg3Si4O10(OH)2·xH2O, and its structure is often described as layers of talc with some amount of water present in the interlayer space. However, its actual structure and composition and the detailed mechanisms of retaining H2O molecules within the mineral are not yet sufficiently known. In particular, more recent spectroscopic and diffraction data indicate the presence of Si vacancies in the tetrahedral silicate sheets of the 10-Å phase leading to the formation of Q2-type Si sites terminated by silanol groups. These silanols are, in turn, hydrogen bonded to interlayer H2O molecules. Here, we use classical and ab initio molecular dynamics (MD) simulations to compare the structures and properties of ideal and defect models of the 10-Å phase under ambient conditions. For classical MD simulations, the most recent modification of the ClayFF force field is used, which can accurately account for the bending of Mg–O–H and Si–O–H angles in the mineral layers, including the structural defects. The crystal lattice parameters, elastic constants, structure, and dynamics of the interlayer hydrogen bonding network for the model 10-Å phase are calculated and compared with available experimental data. The results demonstrate that the inclusion of Si vacancies leads to better agreement with crystallographic data, elastic constants, and bulk and shear moduli compared to a simpler model based on the idealized talc structure. The results also clearly illustrate the importance of the explicit inclusion of Mg–O–H and Si–O–H angular bending terms for accurate modeling of the 10-Å phase. In particular, the properly constrained orientation of the silanol groups promotes the formation of strong hydrogen bonds with the interlayer H2O molecules.
Tectonic-Thermal Evolution of the Wadi El-Dahal Area, North Eastern Desert, Egypt: Constraints on the Suez Rift Development
Authors: Mansour Sherif , Hasebe Noriko , Khedr Mohamed Zaki , Tamura Akihiro , Shehata Amer A.
Published: July 2023

The Suez Rift developed as a northern extension of the Red Sea rift during the Oligocene-Miocene, whose flanks were constructed from the Neoproterozoic basement rocks of the Arabian–Nubian Shield. These basement rocks are comprised of the whole tectonic history since their formation. The Suez Rift initiation model and proposed thermal overprint role in the rifting process and flank development remain uncertain. Additionally, the amplitude of different regional tectonic events’ effects on the region is still debatable. Integration of fission-track thermochronology data with modeling of the time-temperature history has demonstrated efficiency in addressing such issues. In the context of this study, eleven representative samples were collected from the different rock units in the Wadi El-Dahal area at the northern tip of the western flank of the Suez Rift. These samples revealed Carboniferous zircon fission-track cooling ages of 353 ± 9 Ma and 344 ± 11 Ma. Meanwhile, the apatite fission-track analysis provided two spatially separated age groups: Permian-Triassic and Late Cretaceous, with average ages of 249 ± 11 Ma and ca. 86 ± 10 Ma, respectively. The time-temperature modeling revealed four possible cooling pulses representing exhumation events, which were initiated as a response to four tectonic activities: the accretion-subsequent event of erosion during the Neoproterozoic, the Hercynian (Variscan) tectonic event during the Devonian-Carboniferous, the Mid-Atlantic opening during the Cretaceous, and the Suez Rift opening during the Oligocene-Miocene. The western flank of the Suez Rift suggests a passive mechanical type with no extra thermal overprint, as indicated by the dominance of older thermochronological ages, modest rift flank elevations, and a reduction in the heat flow.
Tectonic Evolution of the Fawakhir Ophiolite, Central Eastern Desert of Egypt: Implications for Island Arc Amalgamation and Subduction Polarity during the Neoproterozoic
Authors: Yousef Samar , Oh Chang Whan , Kawaguchi Kenta , Abdelkareem Mohamed
Published: July 2023

The Fawakhir area consists of an ophiolite sequence surrounded by an ophiolitic mélange. In the mélange, serpentinized ultramafic rock, gabbro, gabbroic diorite, diabase, andesite, and basalt occur as tectonic blocks within the metasediments. The gabbro gives a zircon U–Pb age of ~816 Ma, and the trace element composition of the zircon suggests its generation under a continental-arc tectonic setting. The geochemistry of gabbro and other tectonic blocks in the ophiolitic mélange indicates their formation from a backarc basin in a continental island arc tectonic setting. The ophiolite sequence consists of serpentinized ultramafic rock, gabbro, and basaltic rocks and was intruded by felsic dikes. The gabbro from the ophiolite sequence and felsic dikes give zircon U–Pb ages of 742 Ma and 723 Ma, respectively. Trace elements composition of this zircon refers to their formation in a continental-arc tectonic setting. The geochemistry of rocks in the ophiolitic sequence indicates their formation in a forearc basin. Together with previous studies, this study suggests that the tectonic blocks in the mélange formed in a backarc during the early-stage northwards subduction event, which may have started at ~816 Ma or earlier. On the other hand, the rocks in the ophiolite sequence can be considered to have formed in a forearc by the later eastwards subduction event at ~742–723 Ma.
Metal Exchangeability in the REE-Enriched Biogenic Mn Oxide Birnessite from Ytterby, Sweden
Authors: Allard Bert , Sjöberg Susanne , Sjöberg Viktor , Skogby Henrik , Karlsson Stefan
Published: July 2023

A black substance exuding from fractures was observed in 2012 in Ytterby mine, Sweden, and identified in 2017 as birnessite with the composition Mx[Mn(III,IV)]2O4∙(H2O)n. M is usually calcium and sodium, with x around 0.5. The Ytterby birnessite is unique, with M being calcium, magnesium, and also rare earth elements (REEs) constituting up to 2% of the total metal content. The biogenic origin of the birnessite was established in 2018. Analysis of the microbial processes leading to the birnessite formation and the REE enrichment has continued since then. The process is fast and dynamic, as indicated by the depletion of manganese and of REE and other metals in the fracture water during the passage over the precipitation zone in the mine tunnel. Studies of the exchangeability of metals in the structure are the main objective of the present program. Exposure to solutions of sodium, calcium, lanthanum, and iron led to exchanges and altered distribution of the metals in the birnessite, however, generating phases with almost identical structures after the exchanges, and no new mineral phases were detected. Exchangeability was more efficient for trivalent elements (REE) over divalent (calcium) and monovalent (sodium) elements of a similar size (ionic radii 90–100 pm).
Composite Collectors for the Flotation of Refractory Alkaline Rock-Type Rare-Earth Ores
Authors: Li Chunfeng , Liu Zhichao , Liu Zhenjiang , Liu Jiajun , Li Guang , Tian Yuhui , Zhou Mingliang
Published: July 2023

Alkaline rock-type rare-earth (RE) ores have significant utilisation value. However, the exploitation of such resources faces great challenges owing to the complex mineral and element assemblages. Composite collectors exhibit excellent performances, which may provide solutions to the flotation problem of alkaline rock-type RE ores. Therefore, 16 collectors typically used in RE ores flotation were selected. Flotation tests were performed to identify collectors with high selectivity and collection ability for RE minerals, then nine composite collectors were prepared by combining the satisfactory collectors. The flotation performances of single and composite collectors for RE minerals were examined, and the composite collector FA301 with different carbon chain lengths was identified as the best one. When FA301 was applied in optimal conditions of slurry temperature, grinding size, collector and inhibitor dosage, RE concentrate yield of 6.29%, REO grade of 32.013%, and recovery of 59.02% were achieved. According to the results of the zeta potential, FTIR, and XPS test, the functional groups (dominated by carboxyl groups) in FA301 chemically adsorbed onto the main active sites (La, Ce, Y, etc.) on the surface of RE minerals. The findings can provide scientific basis for the development of efficient collectors to facilitate the exploitation of RE resources.
Inversion of Gravity Data with Multiplicative Regularization Using an Improved Adaptive Differential Evolution
Authors: Cheng Lianzheng , Xiao Tiaojie , Hu Xing , Mohamed Ali Wagdy , Liu Yun , Du Wei
Published: July 2023

Differential evolution (DE) is a stochastic optimization technique that imitates the evolution process in nature. This paper uses an improved adaptive differential evolution to solve gravity inversion with multiplicative regularization. Compared with additive regularization, the advantage of multiplicative regularization is that it does not require the regularization parameter in the search process. The contributions in this paper mainly focus on two aspects: accelerating the convergence speed of adaptive DE and balancing the effect of model and data misfits in the objective function. The effectiveness of the proposed inversion method is verified by synthetic and field cases. For the synthetic cases, it is concluded that, based on the obtained results and analysis, the presented DE method is superior and competitive with its original version. Additionally, the designed parameter adaptation for multiplicative regularization is useful for trading off the effect of data and model misfits. For the field cases, two successful applications from China were conducted, and the obtained density source distributions were in accordance with those obtained from drilling wells. The synthetic and practical examples demonstrate that high-quality inversion results can be obtained using improved adaptive differential evolution and multiplicative regularization.
Blue Shades in Plasters: Archaeometric Role in Dating of the Casamassima (Southern Italy) Historical Facades
Authors: Fioretti Giovanna , Acciani Azzurra
Published: July 2023

Casamassima old town, locally known as “blue town”, is widespread stratified blue paint covering the facades of the historical buildings, not reported in the archival data and historical sources. The archaeometric results presented in this study aimed to investigate raw materials, in particular pigments, used to cover the facades to contribute more precisely to the historical reconstruction of this local custom. A set of nine samples was collected from two representative historical buildings and observed by reflected light optical microscopy and scanning electron microscope (SEM-EDS) and their mineralogical characterisation was carried out by means of X-ray powder diffractometry (XRPD). The comparison of the mineralogical and elementary results and the stratigraphic, morphological, and microstructural observations made it possible to highlight a significant stratification of these plasters and to recognize the artificial ultramarine blue applied with lime, as the main mineral pigment, together with red ochre and blanc fixe. The identification of pigments was crucial to date the blue plasters.
Solubility and Solvation Properties of Pharmaceutically Active Ionic Liquid Benzocainium Ibuprofenate in Natural Deep Eutectic Solvent Menthol–Lauric Acid
Authors: Panić Jovana , Rapaić Maksim , Gadžurić Slobodan , Vraneš Milan
Published: July 2023

Due to their appealing physiochemical properties, particularly in the pharmaceutical industry, deep eutectic solvents (DESs) and ionic liquids (ILs) are utilized in various research fields and industries. The presented research analyzes the thermodynamic properties of a deep eutectic solvent created from natural molecules, menthol and lauric acid in a 2:1 molar ratio, and an ionic liquid based on two active pharmaceutical ingredients, benzocainium ibuprofenate. Initially, the low solubility of benzocainium ibuprofenate in water was observed, and a hydrophobic natural deep eutectic mixture of menthol:lauric acid in a 2:1 ratio was prepared to improve benzocainium ibuprofenate solubility. In order to determine the solvent properties of DESs and ILs mixtures at different temperatures and their molecular interactions to enhance the solvent performance, the apparent molar volume, limiting apparent molar expansibility, and viscosity B coefficient were estimated in temperature range from 293.15 K to 313.15 K and varying concentration of benzocainium ibuprofenate.
Tag and Snag: A New Platform for Bioactive Natural Product Screening from Mixtures
Authors: Seidel Jeremy , Du Yongle , Devanathan Rohin , Law Richard , Hu Zhijuan , Zill Nicholas A. , Iavarone Anthony T. , Zhang Wenjun
Published: July 2023

Natural products provide an unparalleled diversity of small molecules to fuel drug screening efforts, but deconvoluting the pharmacological activity of natural product mixtures to identify key bioactive compounds remains a vexing and labor-intensive process. Therefore, we have developed a new platform to probe the non-specific pharmacological potential of compounds present in common dietary supplements via shotgun derivatization with isotopically labeled propanoic acid, a live cell affinity assay, which was used to selectively recognize the population of compounds which bind tightly to HeLa cells in culture, and a computational LC-MS data analysis of isotopically labeled compounds from cell lysate. The data analysis showed that hundreds of compounds were successfully derivatized in each extract, and dozens of those compounds showed high affinity for HeLa cells. In total, over a thousand isotopically labeled compounds were screened for cell affinity across three separate experiments, resulting in the identification of several known bioactive compounds with specific protein targets and six previously unreported structures. The new natural products include three tulsinol compounds which were isolated from Ocimum tenuiflorum and three valeraninium alkaloids from Valeriana officinalis. The valeraninium alkaloids constitute a distinct new family of alkaloids from valerian, which may have previously undescribed bioactivity. These results collectively demonstrate the tag and snag workflow’s viability as a drug discovery method.
Molecular Mechanism of Male Sterility Induced by 60Co γ-Rays on Plutella xylostella (Linnaeus)
Authors: Li Shifan , Zhang Ke , Wen Jiaqi , Zeng Yuhao , Deng Yukun , Hu Qiongbo , Weng Qunfang
Published: July 2023

Plutella xylostella (Linnaeus) is one of the notorious pests causing substantial loses to numerous cruciferous vegetables across many nations. The sterile insect technique (SIT) is a safe and effective pest control method, which does not pollute the environment and does not produce drug resistance. We used proteomics technology and bioinformatics analysis to investigate the molecular mechanisms responsible for the effects of different doses of radiation treatment on the reproductive ability of male P. xylostella. A total of 606 differentially expressed proteins (DEPs) were identified in the 200 Gy/CK group, 1843 DEPs were identified in the 400 Gy/CK group, and 2057 DEPs were identified in the 400 Gy/200 Gy group. The results showed that after 200 Gy irradiation, the testes resisted radiation damage by increasing energy supply, amino acid metabolism and transport, and protein synthesis, while transcription-related pathways were inhibited. After 400 Gy irradiation, the mitochondria and DNA in the testis tissue of P. xylostella were damaged, which caused cell autophagy and apoptosis, affected the normal life activities of sperm cells, and greatly weakened sperm motility and insemination ability. Meanwhile, Western blotting showed that irradiation affects tyrosine phosphorylation levels, which gradually decrease with increasing irradiation dose.
Discrimination of Milk Freshness Based on Synchronous Two-Dimensional Visible/Near-Infrared Correlation Spectroscopy Coupled with Chemometrics
Authors: Peng Dan , Xu Rui , Zhou Qi , Yue Jinxia , Su Min , Zheng Shaoshuai , Li Jun
Published: July 2023

Milk is one of the preferred beverages in modern healthy diets, and its freshness is of great significance for product sales and applications. By combining the two-dimensional (2D) correlation spectroscopy technique and chemometrics, a new method based on visible/near-infrared (Vis/NIR) spectroscopy was proposed to discriminate the freshness of milk. To clarify the relationship be-tween the freshness of milk and the spectra, the changes in the physicochemical indicators of milk during storage were analyzed as well as the Vis/NIR spectra and the 2D-Vis/NIR correlation spectra. The threshold-value method, linear discriminant analysis (LDA) method, and support vector machine (SVM) method were used to construct the discriminant models of milk freshness, and the parameters of the SVM-based models were optimized by the grid search method and particle swarm optimization algorithm. The results showed that with the prolongation of storage time, the absorbance of the Vis/NIR spectra of milk gradually increased, and the intensity of autocorrelation peaks and cross peaks in synchronous 2D-Vis/NIR spectra also increased significantly. Compared with the SVM-based models using Vis/NIR spectra, the SVM-based model using 2D-Vis/NIR spectra had a >15% higher prediction accuracy. Under the same conditions, the prediction performances of the SVM-based models were better than those of the threshold-value-based or LDA-based models. In addition, the accuracy rate of the SVM-based model using the synchronous 2D-Vis/NIR autocorrelation spectra was >97%. This work indicates that the 2D-Vis/NIR correlation spectra coupled with chemometrics is a great pattern to rapidly discriminate the freshness of milk, which provides technical support for improving the evaluation system of milk quality and maintaining the safety of milk product quality.
Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions
Authors: Saranjam Leila , Nedyalkova Miroslava , Fuguet Elisabet , Simeonov Vasil , Mas Francesc , Madurga Sergio
Published: July 2023

This study focuses on determining the partition coefficients (logP) of a diverse set of 63 molecules in three distinct micellar systems: hexadecyltrimethylammonium bromide (HTAB), sodium cholate (SC), and lithium perfluorooctanesulfonate (LPFOS). The experimental log p values were obtained through micellar electrokinetic chromatography (MEKC) experiments, conducted under controlled pH conditions. Then, Quantum Mechanics (QM) and machine learning approaches are proposed for the prediction of the partition coefficients in these three micellar systems. In the applied QM approach, the experimentally obtained partition coefficients were correlated with the calculated values for the case of the 15 solvent mixtures. Using Density Function Theory (DFT) with the B3LYP functional, we calculated the solvation free energies of 63 molecules in these 16 solvents. The combined data from the experimental partition coefficients in the three micellar formulations showed that the 1-propanol/water combination demonstrated the best agreement with the experimental partition coefficients for the SC and HTAB micelles. Moreover, we employed the SVM approach and k-means clustering based on the generation of the chemical descriptor space. The analysis revealed distinct partitioning patterns associated with specific characteristic features within each identified class. These results indicate the utility of the combined techniques when we want an efficient and quicker model for predicting partition coefficients in diverse micelles.
Novel Cytotoxic Sesquiterpene Coumarin Ethers and Sulfur-Containing Compounds from the Roots of Ferula turcica
Authors: Eruçar Fatma Memnune , Senadeera Sarath P. D. , Wilson Jennifer A. , Goncharova Ekaterina , Beutler John A. , Miski Mahmut
Published: July 2023

Six new sesquiterpene coumarin ethers, namely turcicanol A (1), turcicanol A acetate (2), turcicanol B (3), turcica ketone (4), 11′-dehydrokaratavicinol (5), and galbanaldehyde (6), and one new sulfur-containing compound, namely turcicasulphide (7), along with thirty-two known secondary metabolites were isolated from the root of the endemic species Ferula turcica Akalın, Miski, & Tuncay through a bioassay-guided isolation approach. The structures of the new compounds were elucidated by spectroscopic analysis and comparison with the literature. Cell growth inhibition of colon cancer cell lines (COLO205 and HCT116) and kidney cancer cell lines (UO31 and A498) was used to guide isolation. Seventeen of the compounds showed significant activity against the cell lines.
An Oxidant-Free and Mild Strategy for Quinazolin-4(3H)-One Synthesis via CuAAC/Ring Cleavage Reaction
Authors: He Yueling , Yang Zhongtao , Luo Danyang , Luo Xiai , Chen Xiaodong , Yang Weiguang
Published: July 2023

An oxidant-free and highly efficient synthesis of phenolic quinazolin-4(3H)-ones was achieved by simply stirring a mixture of 2-aminobenzamides, sulfonyl azides, and terminal alkynes. The intermediate N-sulfonylketenimine underwent two nucleophilic additions and the sulfonyl group eliminated through the power of aromatization. The natural product 2-(4-hydroxybenzyl)quinazolin-4(3H)-one can be synthesized on a large scale under mild conditions with this method.
Utilizing Black Soldier Fly Larvae to Improve Bioconversion and Reduce Pollution: A Sustainable Method for Efficient Treatment of Mixed Wastes of Wet Distiller Grains and Livestock Manure
Authors: Li Tao , Khan Samiullah , Wei Mao , Li Haiyin , Wen Tingchi , Guo Jianjun , Jin Daochao
Published: July 2023

Widespread environmental contamination caused by huge amounts of wastes generated by human activities has become a critical global concern that requires urgent action. The black soldier fly (BSFL) has gradually been used to treat different wastes due to high efficiency and low cost. However, little information is available regarding the treatment of mixed wastes by BSFLs. The impact of BSFLs on conversion of cow manure (COM) and pig manure (PM) via the incorporation of wet distiller grains (WDG) was assessed. Results demonstrate that the waste reduction rate was increased by 20% by incorporating 45% WDG to COM and PM. The bioconversion rate of BSFLs in COM and PM also increased from 1.20 ± 0.02% and 0.92 ± 0.02% to 10.54 ± 0.06% and 10.05 ± 0.11%, respectively. Total nitrogen content and δ15N/14N ratios of WDG + COM and WDG + PM were found to be significantly lower than those of COM and PM alone (p < 0.01). The organic matter changes during manure degradation were further analyzed by combing ultraviolet–visible spectrum (UV–vis) with excitation–emission matrix (EEM) spectroscopy techniques and fluorescence area integration (FRI) method. The UV–vis spectra results indicate that the addition of WDG to manures resulted in the decreased aromaticity and molecular weight of the waste. EEM spectra demonstrated that the accumulative Pi,n values of regions III and V in COM, COM + WDG, PM, and PM + WDG were 58%, 49%, 52% and 63%, respectively. These results not only provide new insights into the potential of mixed wastes for BSFL treatment but also contribute to the basis for the formulation of effective management measurements that reduce and/or reuse these wastes.
Enhanced Oxidation of p-Toluidine Using Supported Zeolite Nanoparticles
Authors: Alharbi Khadijah H. , Alharbi Walaa , Alhayyani Sultan , Roselin L. Selva , Selvin Rosilda
Published: July 2023

Supported nanomaterials are becoming increasingly important in many industrial processes because of the need to improve both the efficiency and environmental acceptability of industrial processes. The unique properties of supported nanomaterials have attracted researchers to develop efficient catalytic materials in nanoscale. The extremely small size of the particles maximizes the surface area exposed to the reactant, allowing more reactions to occur. The environmental hazards resulting from the conventional manufacturing procedures for organic fine chemicals and intermediates by classical oxidation catalysis using mineral acids have forced chemical industries to seek less polluting processes. The present study aimed to oxidize p-toluidine by hydrogen peroxide in the presence of magnetite supported on nanocrystalline titanium silicalite-1 (M/NTS) zeolite at ambient temperature. The products detected are 4,4′-dimethylazobenzene as major product and 4,4′-dimethylazoxybenzene as minor product. Good selectivity, low cost, low wastage of materials and enhanced environmental friendliness of heterogeneous magnetite nanoparticle supported zeolite catalysts were observed. The effect of various reaction parameters such as mole ratio, catalyst weight and reusability of catalyst were studied. At the optimum reaction conditions, the oxidation activity of M/NTS catalyst was compared with M/NS catalyst, and it was found that titanium in the framework of M/NTS provided higher activity and selectivity.
Interplay between Nanoparticles and Phosphorus Dendrimers, and Their Properties
Authors: Caminade Anne-Marie
Published: July 2023

This review presents the state of the art of interactions between two different families of nanoobjects: nanoparticles—mainly metal nanoparticles, and dendrimers—mainly phosphorhydrazone dendrimers (or dendrons). The review firstly presents the encapsulation/protection of existing nanoparticles (organic or metallic) by phosphorus-based dendrimers and dendrons. In the second part, several methods for the synthesis of metal nanoparticles, thanks to the dendrimer that acts as a template, are presented. The properties of the associations between dendrimers and nanoparticles are emphasized throughout the review. These properties mainly concern the elaboration of diverse types of hybrid materials, some of them being used as sensitive chemosensors or biosensors. Several examples concerning catalysis are also given, displaying in particular the efficient recovery and reuse of the catalytic entities.
An Extremely Highly Sensitive ELISA in pg mL−1 Level Based on a Newly Produced Monoclonal Antibody for the Detection of Ochratoxin A in Food Samples
Authors: Ren Yexuan , Tian Ruwen , Wang Ting , Cao Junlin , Li Jianguo , Deng Anping
Published: July 2023

In this study, an extremely highly sensitive enzyme-linked immunosorbent assay (ELISA) based on a newly produced monoclonal antibody (mAb) for the detection of ochratoxin A (OTA) in food samples was developed. OTA-Bovine serum albumin (BSA) conjugate was prepared and used as the immunogen for the production of the mAb. Among four hybridoma clones (8B10, 5C2, 9B7, and 5E11), the antibody from 8B10 displayed the highest affinity recognition for OTA. Based on the mAb (8B10), the IC50 and LOD of the ELISA for OTA were 34.8 pg mL−1 and 1.5 pg mL−1, respectively, which was 1.53~147 times lower than those in published ELISAs, indicating the ultra-sensitivity of our assay. There was no cross-reactivity of the mAb with the other four mycotoxins (AFB1, ZEN, DON, and T-2). Due to the high similarity in molecular structures among OTA, ochratoxin B (OTB), and ochratoxin C (OTC), the CR values of the mAb with OTB and OTC were 96.67% and 22.02%, respectively. Taking this advantage, the ELISA may be able to evaluate total ochratoxin levels in food samples. The recoveries of the ELISA for OTA in spiked samples (corn, wheat, and feed) were 96.5–110.8%, 89.5–94.4%, and 91.8–113.3%; and the RSDs were 5.2–13.6%, 8.2–13.0%, and 7.7–13.7% (n = 3), respectively. The spiked food samples (corn) were measured by ELISA and HPLC-FLD simultaneously. A good correlation between ELISA (x) and HPLC-FLD (y) with the linear regression equation of y = 0.918x − 0.034 (R2 = 0.985, n = 5) was obtained. These results demonstrated that the newly produced mAb-based ELISA was a feasible and ultra-sensitive analytical method for the detection of OTA in food samples.
Transcriptome Analysis of the Inhibitory Effects of 20(S)-Protopanaxadiol on NCI-H1299 Non-Small Cell Lung Cancer Cells
Authors: Cong Zhongyi , Zhang Xinmin , Lv Zeqi , Jiang Jingyuan , Wang Lei , Li Jiapeng , Wang Jie , Zhao Jianjun
Published: July 2023

Lung cancer seriously threatens human health. To explore the molecular mechanism of 20(S)-Protopanaxadiol (PPD) on human non-small cell lung cancer cells, we investigated the transcriptional profile of PPD-treated NCI-H1299 cells. Cell proliferation, cell cycle, and apoptosis were detected using cell counting kit-8 and flow cytometry, respectively. Differentially expressed genes (DEGs) between PPD-treated and untreated cells were determined using RNA sequencing and bioinformatic analysis. Protein phosphorylation was detected using Western blotting. Data of mRNA expression profiles of lung cancer were from The Cancer Genome Atlas (TCGA) and analyzed using R software version 4.3.1. PPD showed an inhibitory effect on the proliferation of NCI-H1299 cells and induced apoptosis. There were 938 upregulated genes and 466 downregulated genes in PPD-treated cells, and DEGs were primarily enriched in the MAPK signaling pathway. The detection of phosphorylation revealed that the phosphorylation of ERK and p38 MAPK was significantly reduced in PPD-treated cells. Further comparison of PPD-regulated DEGs with clinical data of lung adenocarcinoma demonstrated that most downregulated genes in tumor tissues were upregulated in PPD-treated cells or vice versa. Two PPD-downregulated genes HSPA2 and EFNA2 were associated with patients’ overall survival. Therefore, PPD could inhibit NCI-H1299 cells by affecting gene expression and regulating ERK and p38 MAPK pathways.
Design and Optimization of Solid Lipid Nanoparticles Loaded with Triamcinolone Acetonide
Authors: Talarico Luigi , Pepi Simone , Susino Surama , Leone Gemma , Bonechi Claudia , Consumi Marco , Clemente Ilaria , Magnani Agnese
Published: July 2023

Principles of quality by design and design of experiments are acquiring more importance in the discovery and application of new drug carriers, such as solid lipid nanoparticles. In this work, an optimized synthesis of solid lipid nanoparticles loaded with Triamcinolone Acetonide is presented using an approach that involves Stearic Acid as a lipid, soy PC as an ionic surfactant, and Tween 80 as a nonionic surfactant. The constructed circumscribed Central Composite Design considers the lipid and nonionic surfactant quantities and the sonication amplitude in order to optimize particle size and Zeta potential, both measured by means of Dynamic Light Scattering, while the separation of unentrapped drug from the optimized Triamcinolone Acetonide-loaded solid lipid nanoparticles formulation is performed by Size Exclusion Chromatography and, subsequently, the encapsulation efficiency is determined by HPLC-DAD. The proposed optimized formulation—with the goal of maximizing Zeta potential and minimizing particle size—has shown good accordance with predicted values of Zeta potential and dimensions, as well as a high value of encapsulated Triamcinolone Acetonide. Experimental values obtained from the optimized synthesis reports a dimension of 683 ± 5 nm, which differs by 3% from the predicted value, and a Zeta potential of −38.0 ± 7.6 mV (12% difference from the predicted value).
Synthesis and Properties of Carbon Microspheres from Waste Office Paper
Authors: Yang Mannan , Su Jian , Fang Changqing , Cheng Youliang , Li Yangyang , Yan Yubo , Lei Wanqing
Published: July 2023

As a kind of biomass resource, waste office paper can be used as a carbon precursor to prepare carbon materials. In this work, carbon microspheres with regular shape, uniform particle size and high carbon content were successfully prepared from waste office paper via a hydrothermal synthesis method with sulfuric acid as the catalyst. The effects of reaction temperature and sulfuric acid dosage on the morphology of the carbon microspheres were studied. The formation mechanism of the carbon microspheres was investigated by analyzing the structure and composition of the products. The results show that the hydrolysis of cellulose in waste paper under hydrothermal conditions was the key for the formation of carbon microspheres. The temperature of hydrothermal reaction and the use of sulfuric acid can affect the morphology of carbon microspheres. The carbon microspheres synthesized at 210 °C with 10 mL sulfuric acid have the best surface morphology, with uniform particle size and higher dispersion. Cyclic voltammetry and electrochemical impedance spectroscopy show that the carbon microspheres have good capacitance performance and can be used in capacitors. This study provides a low-cost precursor for carbon microspheres as well as a new method for the recycle of waste paper.
Evaluation of α-Glucosidase Inhibition and Antihyperglycemic Activity of Extracts Obtained from Leaves and Flowers of Rumex crispus L.
Authors: Aguila-Muñoz Dolores G. , Jiménez-Montejo Fabiola E. , López-López Víctor E. , Mendieta-Moctezuma Aarón , Rodríguez-Antolín Jorge , Cornejo-Garrido Jorge , Cruz-López María C.
Published: July 2023

Among antihyperglycemic drugs used for treating diabetes, α-glucosidase inhibitors generate the least adverse effects. This contribution aimed to evaluate the potential antidiabetic activity of Rumex crispus L. by testing its in vitro α-glucosidase inhibition and in vivo antihyperglycemic effects on rats with streptozotocin (STZ)-induced diabetes. Better inhibition of α-glucosidase was found with the methanol extract versus the n-hexane and dichloromethane extracts. The methanol extract of the flowers (RCFM) was more effective than that of the leaves (RCHM), with an IC50 of 7.3 ± 0.17 μg/mL for RCFM and 112.0 ± 1.23 μg/mL for RCHM. A bioactive fraction (F89s) also showed good α-glucosidase inhibition (IC50 = 3.8 ± 0.11 μg/mL). In a preliminary study, RCHM and RCFM at 150 mg/kg and F89s at 75 mg/kg after 30 days showed a significant effect on hyperglycemia, reducing glucose levels (82.2, 80.1, and 84.1%, respectively), and improved the lipid, renal, and hepatic profiles of the rats, comparable with the effects of metformin and acarbose. According to the results, the activity of R. crispus L. may be mediated by a diminished rate of disaccharide hydrolysis, associated with the inhibition of α-glucosidase. Thus, R. crispus L. holds promise for the development of auxiliary drugs to treat diabetes mellitus.
Contemporary Developments in Ferrocene Chemistry: Physical, Chemical, Biological and Industrial Aspects
Authors: Rauf Umair , Shabir Ghulam , Bukhari Saba , Albericio Fernando , Saeed Aamer
Published: July 2023

Ferrocenyl-based compounds have many applications in diverse scientific disciplines, including in polymer chemistry as redox dynamic polymers and dendrimers, in materials science as bioreceptors, and in pharmacology, biochemistry, electrochemistry, and nonlinear optics. Considering the horizon of ferrocene chemistry, we attempted to condense the neoteric advancements in the synthesis and applications of ferrocene derivatives reported in the literature from 2016 to date. This paper presents data on the progression of the synthesis of diverse classes of organic compounds having ferrocene scaffolds and recent developments in applications of ferrocene-based organometallic compounds, with a special focus on their biological, medicinal, bio-sensing, chemosensing, asymmetric catalysis, material, and industrial applications.
Targeting Members of the Chemokine Family as a Novel Approach to Treating Neuropathic Pain
Authors: Pawlik Katarzyna , Mika Joanna
Published: July 2023

Neuropathic pain is a debilitating condition that affects millions of people worldwide. Numerous studies indicate that this type of pain is a chronic condition with a complex mechanism that tends to worsen over time, leading to a significant deterioration in patients’ quality of life and issues like depression, disability, and disturbed sleep. Presently used analgesics are not effective enough in neuropathy treatment and may cause many side effects due to the high doses needed. In recent years, many researchers have pointed to the important role of chemokines not only in the development and maintenance of neuropathy but also in the effectiveness of analgesic drugs. Currently, approximately 50 chemokines are known to act through 20 different seven-transmembrane G-protein-coupled receptors located on the surface of neuronal, glial, and immune cells. Data from recent years clearly indicate that more chemokines than initially thought (CCL1/2/3/5/7/8/9/11, CXCL3/9/10/12/13/14/17; XCL1, CX3CL1) have pronociceptive properties; therefore, blocking their action by using neutralizing antibodies, inhibiting their synthesis, or blocking their receptors brings neuropathic pain relief. Several of them (CCL1/2/3/7/9/XCL1) have been shown to be able to reduce opioid drug effectiveness in neuropathy, and neutralizing antibodies against them can restore morphine and/or buprenorphine analgesia. The latest research provides irrefutable evidence that chemokine receptors are promising targets for pharmacotherapy; chemokine receptor antagonists can relieve pain of different etiologies, and most of them are able to enhance opioid analgesia, for example, the blockade of CCR1 (J113863), CCR2 (RS504393), CCR3 (SB328437), CCR4 (C021), CCR5 (maraviroc/AZD5672/TAK-220), CXCR2 (NVPCXCR220/SB225002), CXCR3 (NBI-74330/AMG487), CXCR4 (AMD3100/AMD3465), and XCR1 (vMIP-II). Recent research has shown that multitarget antagonists of chemokine receptors, such as CCR2/5 (cenicriviroc), CXCR1/2 (reparixin), and CCR2/CCR5/CCR8 (RAP-103), are also very effective painkillers. A multidirectional strategy based on the modulation of neuronal–glial–immune interactions by changing the activity of the chemokine family can significantly improve the quality of life of patients suffering from neuropathic pain. However, members of the chemokine family are still underestimated pharmacological targets for pain treatment. In this article, we review the literature and provide new insights into the role of chemokines and their receptors in neuropathic pain.
Determination of Response Factors for Analytes Detected during Migration Studies, Strategy and Internal Standard Selection for Risk Minimization
Authors: Kritikos Nikolaos , Bletsou Anna , Konstantinou Christina , Neofotistos Antonios-Dionysios , Kousoulos Constantinos , Dotsikas Yannis
Published: July 2023

Migration studies are one of the few domains of pharmaceutical analysis employing wide-scope screening methodologies. The studies involve the detection of contaminants within pharmaceutical products that arise from the interaction between the formulation and materials. Requiring both qualitative and quantitative data, the studies are conducted using Liquid Chromatography or Gas Chromatography coupled to a mass spectrometer (LC-MS and GC-MS). While mass spectrometry allows wide-scope analyte detection and identification at the very low Analytical Evaluation Threshold (AET) levels used in these studies, MS detectors are far from “universal response” detectors. Regulation brings the application of uncertainty factors into the picture to limit the risk of potential analytes detected escaping report and further evaluation; however, whether the application of a default value can cover any or all relevant applications is still debatable. The current study evaluated the response of species usually detected in migration studies, generating a suitable representative sample, analyzing said species, and creating a strategy and evaluation mechanism for acceptable classification of the detected species. Incorporating novel methodologies, i.e., Design of Experiments (DoE) for Design Space generation, the LC-MS-based methodology is also evaluated for its robustness in changes performed.
Hemoglobin Derivatives in Beef Irradiated with Accelerated Electrons
Authors: Bliznyuk Ulyana , Borshchegovskaya Polina , Chernyaev Alexander , Ipatova Victoria , Kozlov Aleksandr , Khmelevskiy Oleg , Mezhetova Irina , Nikitchenko Alexander , Rodin Igor , Kozlova Elena
Published: July 2023

The efficiency of food irradiation depends on the accuracy of the irradiation dose range that is sufficient for inhibiting microbiological growth without causing an irreversible change to the physical and chemical properties of foods. This study suggests that the concentration of hemoglobin derivatives can be used as a criterion for establishing the limit for chilled beef irradiation at which irradiation-induced oxidation becomes irreversible. The express spectrophotometry method for estimating the hemoglobin derivative concentration shows a nonlinear increase in methemoglobin concentration from 15% to 50% in beef irradiated by accelerated electrons with the doses ranging from 250 Gy to 10,000 Gy. The monitoring of the hemoglobin derivative concentration for three days after irradiation shows nonmonotonous dependencies of methemoglobin concentration in beef in the storage time since the oxidation of hemoglobin occur as a result of irradiation and biochemical processes in beef during storage. The proposed method based on the quantitative analysis of the hemoglobin derivative concentration can be used to estimate the oxidation level for irradiation of foods containing red blood cells. The study proposes a model that describes the change in hemoglobin derivative concentration in beef after irradiation considering that oxidation of hemoglobin can be triggered by the direct ionization caused by accelerated electrons, biochemical processes as a result of bacterial activity, and reactive oxygen species appearing during irradiation and storage. This research throws light on the mechanisms behind food irradiation during storage that should be taken into account for selecting the optimal parameters of irradiation.
Design, Synthesis, and Characterization of an Amphiphilic Lipoic Acid-Based Ru(III) Complex as a Versatile Tool for the Functionalization of Different Nanosystems
Authors: Riccardi Claudia , Platella Chiara , Musumeci Domenica , Montesarchio Daniela
Published: July 2023

Ru-based chemotherapy is emerging as an effective alternative to the well-established Pt-based one, typically associated with high toxicity. In this context, our recent efforts were devoted to the preparation of nucleolipid-based Ru(III) complexes able to form, under physiological conditions, supramolecular aggregates which can efficiently prevent metal deactivation and convey Ru(III) inside the cells where it exerts its activity. Within an interdisciplinary program for the development of multifunctional nanoparticles for theranostic applications, we here report the design, synthesis, and characterization of a novel functionalized Ru(III) salt, carrying a lipoic acid moiety in the nucleolipid-based scaffold to allow its incorporation onto metal-based nanoparticles.