bluuebunny/crossref_metadata_2025 huggingface dataset:
High-Strength and Heat-Insulating Cellular Building Concrete Based on Calcined Gypsum
Authors: Ioana Adrian , Paunescu Lucian , Constantin Nicolae , Rucai Valeriu , Dobrescu Cristian , Pasare Vili , Istrate Alexandra
Published: December 2022

A cellular concrete with a fine porous structure was experimentally made using the corrosion technique for aluminum powder as an expanding agent in an aqueous solution of Ca(OH)2. The originality of this paper was the use of our own production method for the fine aluminum powder through atomizing the recycled molten waste of this metal using concentrated jets of nitrogen. Additionally, the waste melting technique involved our own microwave heating method. A high weight proportion of calcined gypsum (maximum 82.3%) represented the main concrete binder. Using moderate contents of coal fly ash (3.6–11.1%) together with perlite (4.6–6.4%) to reduce the pore size and silica fume (0.3–1.2%) with pozzolanic properties, the aim was to obtain a macrostructure characterized by a very low pore size and to increase the compressive strength (by up to 4.1 MPa), despite the relatively low density (below 641 kg/m3). An industrial method of increasing the mechanical strength by steam curing fresh concrete was applied.
Fabrication of MgO-Y2O3 Composite Nanopowders by Combining Hydrothermal and Seeding Methods
Authors: Yang Shangyu , Lan Hao , Sun Xiaoming , Feng Shaowei , Zhang Weigang
Published: December 2022

In this study, the combination of hydrothermal technique and seed-doping method was conducted to coordinately control the formation of fine MgO-Y2O3 powders, which are promising mid-infrared materials applied to hypersonic aircraft windows due to their excellent infrared transmissions over wide regions. Y(NO3)3·6H2O, Mg(NO3)2·6H2O, Y2O3 seeds and MgO seeds were used as raw materials to prepare the MgO-Y2O3 composite powders (50:50 vol.%), and the influences of the seed contents and hydrothermal treatment temperatures on the final powders and hot-pressed ceramics were investigated by XRD, SEM and TEM techniques. The results show that powders with a seed content of 5% that are hydrothermally synthesized at 190 °C can present a better uniformity and dispersion with a particle size of ~125 nm. Furthermore, the ceramics prepared with the above powders displayed a homogenous two-phase microstructure, fewer pores and a fine grain size with Y2O3 of ~1 µm and MgO of ~620 nm. The present study may open an avenue for developing transparent ceramics based on MgO-Y2O3 nanopowders prepared by hydrothermal technique.
Emerging Materials for Additive Manufacturing
Authors: Sing Swee Leong , Yeong Wai Yee
Published: December 2022

Additive manufacturing (AM) has grown and evolved rapidly in recent years [...]
Molecular Diversity and Biochemical Content in Two Invasive Alien Species: Looking for Chemical Similarities and Bioactivities
Authors: Vega Julia , Catalá Teresa S. , García-Márquez Jorge , Speidel Linn G. , Arijo Salvador , Cornelius Kunz Niklas , Geisler Christoph , Figueroa Félix L.
Published: December 2022

The biochemical composition, molecular diversity, and two different bioactivities of Asparagopsis armata and Rugulopteryx okamurae (two alien species with different invasive patterns in the southern Iberian Peninsula) were analyzed through spectrophotometric methods and Fourier transform ion cyclotron mass spectroscopy (FT-ICR-MS). A total of 3042 molecular formulas were identified from the different extracts. The dH2O extracts were the most molecularly different. A. armata presented the highest content of nitrogenous compounds (proteins, CHON) and sulphur content, whereas R. okamurae was rich in carbonated compounds (total carbon, lipids, CHO, and CHOP). Antioxidant capacity and phenolic content were higher in R. okamurae than in A. armata. Antimicrobial activity was detected from both species. A. armata showed capacity to inhibit human and fish pathogens (e.g., Staphylococcus aureus or Vibrio anguillarum), whereas R. okamurae only showed inhibition against human bacteria (Staphylococcus aureus and Cutibacterium acnes). In R. okamurae, molecules with a great number of pharmaceutical activities (e.g., anti-inflammatory or antitumoral), antibacterial, biomaterial, and other utilities were found. The main molecules of A. armata had also pharmaceutical applications (e.g., antimalarian, antithrombotic, anti-inflammatory, or antiarthritis). The valorization of these species can help to counteract the environmental effects of the bioinvasions.
A Hotspot of TTX Contamination in the Adriatic Sea: Study on the Origin and Causative Factors
Authors: Bacchiocchi Simone , Campacci Debora , Siracusa Melania , Dubbini Alessandra , Accoroni Stefano , Romagnoli Tiziana , Campanelli Alessandra , Griffoni Francesco , Tavoloni Tamara , Gorbi Stefania , Totti Cecilia , Piersanti Arianna
Published: December 2022

Tetrodotoxins (TTXs), the pufferfish venom traditionally associated with Indo-Pacific area, has been reported during last decades in ever wider range of marine organisms and ever more geographical areas, including shellfish in Europe. Wild mussels (Mytilus galloprovincialis) grown in the Marche Region (N Adriatic Sea, Italy) were shown to be prone to TTX contamination during the warm season, with a suspected role of Vibrio alginolyticus characterized by non-ribosomal peptide synthetase (NRPS) and polyketide synthase (PKS)-encoding genes. This work aimed to deepen the knowledge about the toxin’s origin and the way through which it accumulates in mussels. A two-year study (spring–summer 2020–2021) confirmed the recurrent presence of TTX (11–68 µg kg−1) in the official monitored natural mussel beds of the Conero Riviera. During 2021, a supplementary nonroutine monitoring of a natural mussel bed in the same area was carried out weekly from June until August for TTXs and/or the presence of V. alginolyticus. Biotic (mussels, mesozooplankton, worms and phytoplankton); abiotic (water and sediment) matrices and phytoplankton assemblage characterizations were studied. Mussels showed relevant TTX contamination levels (9–296 µg kg−1) with extremely rapid TTX accumulation/depletion rates. The toxin presence in phytoplankton and its distribution in the different mussel tissues supports its possible exogenous origin. The V. alginolyticus count trend overlaps that of TTX contamination in mussels, and similar trends were reported also for some phytoplankton species. The role of V. alginolyticus carrying NRPS or PKS genes as a possible TTX source and of phytoplankton as a “potential vector” should therefore be further investigated.
Welding Residual Stress Distributions in the Thickness Direction under Constraints Using Neutron Diffraction and Contour Methods
Authors: Seong Daehee , An Gyubaek , Park Jeongung , Woo Wanchuck
Published: December 2022

Using high-strength steel for offshore structures with a yield stress of 500 MPa, this study evaluated the distribution characteristics of welding residual stress in the thickness direction under the influence of constrained conditions during welding using cutting, neutron diffraction, and contour methods. Welding residual stress inevitably occurs during welding and impacts fracture stability in structures. As high-strength steel better reflects the effects of phase transformation, the behavior of welding residual stress is known to differ from that of general steel. This study fabricated fully constrained and unconstrained specimens and evaluated them under identical conditions to evaluate welding residual stress according to the influence of constraints on high-strength steel welds. The results indicated that the maximum tensile residual stress of the fully constrained specimen occurred in the first layer of the weld joint, while the maximum tensile residual stress of the fully unconstrained specimen occurred in the last layer of the weld joint. Additionally, the welding residual stress of the fully constrained specimen was larger. Although some errors occurred in the residual stress values in the thickness direction depending on the measurement method, both methods applied in this study exhibited nearly identical distributions. Meanwhile, a maximum angular deformation of about 6° occurred in the fully unconstrained specimen, and we considered that the residual stress decreased owing to the occurrence of angular deformation. The maximum welding residual stress is generally the degree of yield stress. When residual stress greater than the yield stress occurs, it changes to the plastic range and appears in the form of angular, longitudinal, and lateral deformation. Under the fully unconstrained condition, reduced residual stress is considered to appear in the form of angular deformation. The welding tensile residual stress decreased to around 42% in the unconstrained specimen compared to the constrained specimen, and at that time, angular deformation of approximately 6° occurred. Therefore, it is estimated that an angular distortion of about 2.4° occurs as the stress of 100 MPa decreases.
Magnetic Harvester for an Autonomous Steel Health Monitoring System Based on Hall Effect Measurements
Authors: Pattakos Polychronis , Angelopoulos Spyridon , Katsoulas Angelos , Ktena Aphrodite , Hristoforou Evangelos
Published: December 2022

In this article, the construction and experimental behavior of an Internet of Things (IoT)-compatible steel health monitoring system are examined. Falling under the general category of nondestructive testing, this new sensor is combined with an energy harvester to produce an autonomous automated device that can measure, store, and transmit measuring data without any need for human intervention. Based on common principles like the Hall effect, the monitoring system is put to use, and its results are presented.
A Delay-Cell-Controlled VCO Design for Unipolar Single-Gate Enhancement-Mode TFT Technologies
Authors: Li Bin , Wei Siwei , Zhao Mingjian , Chen Rongsheng , Wu Zhaohui , Xu Yuming
Published: December 2022

This work outperforms the previous literatures by proposing a delay-cell-controlled voltage control oscillator (VCO) design for common unipolar, single-gate, and enhancement-mode thin-film transistor (TFT) technologies. A design example with InZnO TFTs is simulated to verify the proposed design. The design example has a 500 μW power consumption, 0.7 mm2 area, 3.8 kHz–8 kHz output frequency range, 600 Hz/V tuning sensitivity, and 4% maximum linear error. This design may have the potential to be used for flexible, low cost, and moderate speed sensor readout interfaces.
Petrogenesis of the Wadi El-Faliq Gabbroic Intrusion in the Central Eastern Desert of Egypt: Implications for Neoproterozoic Post-Collisional Magmatism Associated with the Najd Fault System
Authors: Ali Shehata , Abart Rainer , Sayyed M. I. , Hauzenberger Christoph A. , Sami Mabrouk
Published: December 2022

The late Neoproterozoic gabbroic intrusion of the Wadi El-Faliq area in the central Eastern Desert of Egypt (north Arabian–Nubian Shield; henceforth, ANS) is a fresh, undeformed elliptical body elongated in a NW–SE trend following the main sinistral strike-slip faults of the Najd fault system. Mineralogical and geochemical evidence suggest that they were derived from hydrous tholeiitic mafic magmas with arc-like geochemical fingerprints resembling the post-collisional gabbroic intrusions in Saudi Arabia. Despite the arc-like signatures, their fresh and undeformed nature, together with the field relationships, indicates that the studied gabbroic intrusion post-dates the main collisional phase, supporting its emplacement after subduction ceased and during the post-collisional stage. As a result, the arc-like signatures were possibly transmitted from the earlier ANS subduction episode. Indeed, the high (La/Sm)N, and negative-Nb and positive-Pb anomalies suggest contributions from subduction components. Lithospheric delamination was possibly facilitated by the Najd faults and shear zones formed during the post-orogenic crustal extension associated with the Pan-African orogenic collapse. The delamination process could have generated a rapid upwelling and melting of the asthenosphere mantle. The melt-rock reaction process likely played an important role in the genesis of the studied rocks through the interaction of the asthenosphere melts with lithosphere mantle rocks during ascent. The HREE fractionation suggests a probable mixing between melts from both spinel- and garnet-bearing peridotites. We suggest that the Wadi El-Faliq gabbroic intrusion was likely emplaced due to the stretching and thinning of the lithosphere during the extensional tectonism following the Pan-African orogeny.
Airborne Electromagnetic Survey over the Touro Copper VMS World Class Deposit (NW Spain): Geological and Geophysical Correlation
Authors: Núñez Pablo , Watts Tony , Martin-Izard Agustín , Arias Daniel , Rubio Álvaro , Cortés Fernando , Díaz-Riopa Fernando
Published: December 2022

Electromagnetic (EM) methods belong to the main geophysical techniques used in the mineral exploration of massive sulphides. For selecting EM anomalies as possible massive sulphide targets, it is important to combine the geophysical results with other geological and/or geochemical techniques. In 2015, Atalaya Mining started a new mineral exploration project in the Touro Cu deposit, combining geological, geochemical (ore over 0.2% Cu), and geophysical techniques. The geophysical survey consisted of helicopter-borne EM using the versatile time-domain electromagnetic (VTEM™) max system operated by Geotech Ltd. with full-waveform processing. In total, 509 line-km of geophysical data were acquired during the survey that was completed in 2018. The results showed the massive sulphide Touro ore to be typically of the order of 0.25 ohm·m (4S/m conductivity) and host rock in the range of 1000–30,000 ohm·m, measured directly on the drill core. This modelling agreed well with the sub-horizontal dips observed for the known Touro ore bodies. The conductance modelled by the plate estimation of the VTEM data were also in good agreement with those provided by Geotech Ltd. and the resistivity/conductivity measurements we made on the massive sulphide samples from several Touro ore bodies. The combination of flat dips, good conductance, shallow depth, and, lastly, lack of conductive overburden or noneconomic conductive stratigraphy, i.e., graphitic shales and sulphide iron formation make the Touro project an ideal target for airborne electromagnetic prospecting. This paper presents the excellent correlation observed between the EM airborne anomalies and the massive sulphide blocks of the Touro copper deposit. Favourable factors contributing to the success of the survey were the high contrast in resistivity/conductivity between the massive sulphide Touro ore and the amphibolite host rock and minimal interference from “nuisance” conductors, such as graphitic shales.
Application of Attainable Region Technique to Optimize Copper Slag’s Desired Size Class
Authors: Gabasiane Tlotlo Solomon , Danha Gwiranai , Mamvura Tirivaviri , Mashifana Tebogo , Sibanda Vusumuzi
Published: December 2022

Copper slag is a hard material produced from smelting copper-bearing ores. Over the years, research has prioritized utilizing slag as a secondary source of base metals. This paper focuses on the grinding/milling of copper slag collected from the BCL Mine in Botswana to obtain a maximum amount of material in the desired size class with minimal energy consumption. This will then be followed by an integrated flotation and leaching approach of the desired size class material to recover copper. Our objectives are to determine the grinding time, ball loading, mill filling and desired size class for maximum recovery of copper mineral. The attainable region technique is an equipment-independent optimization tool employed here to determine the optimal specifications of our experimentally manipulated variables to satisfy the set objective function.
Development and Validation of an Innovative Analytical Approach for the Quantitation of Tris(Hydroxymethyl)Aminomethane (TRIS) in Pharmaceutical Formulations by Liquid Chromatography Tandem Mass Spectrometry
Authors: Madmon Moran , Shamai Yamin Tamar , Pitel Shani , Belay Chen , Segula Yaniv , Toister Einat , Hindi Ariel , Cherry Lilach , Ophir Yakir , Zichel Ran , Mimran Avishai , Diamant Eran , Weissberg Avi
Published: December 2022

A novel COVID-19 vaccine (BriLife®) has been developed by the Israel Institute for Biological Research (IIBR) to prevent the spread of the SARS-CoV-2 virus throughout the population in Israel. One of the components in the vaccine formulation is tris(hydroxymethyl)aminomethane (tromethamine, TRIS), a buffering agent. TRIS is a commonly used excipient in various approved parenteral medicinal products, including the mRNA COVID-19 vaccines produced by Pfizer/BioNtech and Moderna. TRIS is a hydrophilic basic compound that does not contain any chromophores/fluorophores and hence cannot be retained and detected by reverse-phase liquid chromatography (RPLC)-ultraviolet (UV)/fluorescence methods. Among the few extant methods for TRIS determination, all exhibit a lack of selectivity and/or sensitivity and require laborious sample treatment. In this study, LC–mass spectrometry (MS) with its inherent selectivity and sensitivity in the multiple reaction monitoring (MRM) mode was utilized, for the first time, as an alternative method for TRIS quantitation. Extensive validation of the developed method demonstrated suitable specificity, linearity, precision, accuracy and robustness over the investigated concentration range (1.2–4.8 mg/mL). Specifically, the R2 of the standard curve was >0.999, the recovery was >92%, and the coefficient of variance (%CV) was <12% and <6% for repeatability and intermediate precision, respectively. Moreover, the method was validated in accordance with strict Good Manufacturing Practice (GMP) guidelines. The developed method provides valuable tools that pharmaceutical companies can use for TRIS quantitation in vaccines and other pharmaceutical products.
Studies on 1,4-Quinone Derivatives Exhibiting Anti-Leukemic Activity along with Anti-Colorectal and Anti-Breast Cancer Effects
Authors: Ciftci Halilibrahim , Sever Belgin , Kaya Nusret , Bayrak Nilüfer , Yıldız Mahmut , Yıldırım Hatice , Tateishi Hiroshi , Otsuka Masami , Fujita Mikako , TuYuN Amaç Fatih
Published: December 2022

Colorectal cancer (CRC), breast cancer, and chronic myeloid leukemia (CML) are life-threatening malignancies worldwide. Although potent therapeutic and screening strategies have been developed so far, these cancer types are still major public health problems. Therefore, the exploration of more potent and selective new agents is urgently required for the treatment of these cancers. Quinones represent one of the most important structures in anticancer drug discovery. We have previously identified a series of quinone-based compounds (ABQ-1-17) as anti-CML agents. In the current work, ABQ-3 was taken to the National Cancer Institute (NCI) for screening to determine its in vitro antiproliferative effects against a large panel of human tumor cell lines at five doses. ABQ-3 revealed significant growth inhibition against HCT-116 CRC and MCF-7 breast cancer cells with 2.00 µM and 2.35 µM GI50 values, respectively. The MTT test also showed that ABQ-3 possessed anticancer effects towards HCT-116 and MCF-7 cells with IC50 values of 5.22 ± 2.41 μM and 7.46 ± 2.76 μM, respectively. Further experiments indicated that ABQ-3 induced apoptosis in both cell lines, and molecular docking studies explicitly suggested that ABQ-3 exhibited DNA binding in a similar fashion to previously reported compounds. Based on in silico pharmacokinetic prediction, ABQ-3 might display drug-like features enabling this compound to become a lead molecule for future studies.
A Rapid and Sensitive Liquid Chromatography-Tandem Mass Spectrometry Bioanalytical Method for the Quantification of Encorafenib and Binimetinib as a First-Line Treatment for Advanced (Unresectable or Metastatic) Melanoma—Application to a Pharmacokinetic Study
Authors: Hefnawy Mohamed M. , Alanazi Mohammed M. , Al-Hossaini Abdullah M. , Alnasser Abdulaziz I. , El-Azab Adel S. , Jardan Yousef A. Bin , Attwa Mohamed W. , El-Gendy Manal A.
Published: December 2022

The combination regimen targeting BRAF and MEK inhibition, for instance, encorafenib (Braftovi™, ENF) plus binimetinib (Mektovi®, BNB), are now recommended as first-line treatment in patients with unresectable or metastatic melanoma with a BRAF V600-activating mutation. Patients treated with combination therapy of ENF and BNB demonstrated a delay in resistance development, increases in antitumor activity, and attenuation of toxicities compared with the activity of either agent alone. However, the pharmacokinetic profile of the FDA-approved ENF and BNB is still unclear. In this study, a rapid and sensitive LC-MS/MS bioanalytical method for simultaneous quantification of ENF and BNB in rat plasma was developed and validated. Chromatography was performed on an Agilent Eclipse plus C18 column (50 mm × 2.1 mm, 1.8 µm), with an isocratic mobile phase composed of 0.1% formic acid in water/acetonitrile (67:33, v/v, pH 3.2) at a flow rate of 0.35 mL/min. A positive multiple reaction monitoring (MRM) mode was chosen for detection and the process of analysis was run for 2 min. Plasma samples were pre-treated using protein precipitation with acetonitrile containing spebrutinib as the internal standard (IS). Method validation was assessed as per the FDA guidelines for the determination of ENF and BNB over concentration ranges of 0.5–3000 ng/mL (r2 ≥ 0.997) for each drug (plasma). The lower limits of detection (LLOD) for both drugs were 0.2 ng/mL. The mean relative standard deviation (RSD) of the results for accuracy and precision was ≤ 7.52%, and the overall recoveries of ENF and BNB from rat plasma were in the range of 92.88–102.28%. The newly developed approach is the first LC–MS/MS bioanalytical method that can perform simultaneous quantification of ENF and BNB in rat plasma and its application to a pharmacokinetic study. The mean result for Cmax for BNB and ENF was found to be 3.43 ± 0.46 and 16.42 ± 1.47 µg/mL achieved at 1.0 h for both drugs, respectively. The AUC0-∞ for BNB and ENF was found to be 18.16 ± 1.31 and 36.52 ± 3.92 µg/mL.h, respectively. On the other hand, the elimination half-life (t1/2kel) parameters for BNB and ENF in the rat plasma were found to be 3.39 ± 0.43 h and 2.48 ± 0.24 h, and these results are consistent with previously reported values.
Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells
Authors: Niranjan Vidya , Jayaprasad Sanjana , Uttarkar Akshay , Kusanur Raviraj , Kumar Jitendra
Published: December 2022

Breast cancer, a heterogeneous disease, is among the most frequently diagnosed diseases and is the second leading cause of death due to cancer among women after lung cancer. Phytoactives (plant-based derivatives) and their derivatives are safer than synthetic compounds in combating chemoresistance. In the current work, a template-based design of the coumarin derivative was designed to target the ADP-sugar pyrophosphatase protein. The novel coumarin derivative (2R)-2-((S)-sec-butyl)-5-oxo-4-(2-oxochroman-4-yl)-2,5-dihydro-1H-pyrrol-3-olate was designed. Molecular docking studies provided a docking score of −6.574 kcal/mol and an MM-GBSA value of −29.15 kcal/mol. Molecular dynamics simulation studies were carried out for 500 ns, providing better insights into the interaction. An RMSD change of 2.4 Å proved that there was a stable interaction and that there was no conformational change induced to the receptor. Metadynamics studies were performed to calculate the unbinding energy of the principal compound with NUDT5, which was found to be −75.171 kcal/mol. In vitro validation via a cytotoxicity assay (MTT assay) of the principal compound was carried out with quercetin as a positive control in the MCF7 cell line and with an IC50 value of 55.57 (+/−) 0.7 μg/mL. This work promoted the research of novel natural derivatives to discover their anticancer activity.
Study on Antibacterial Activity and Structure of Chemically Modified Lysozyme
Authors: Wang Sheng-Wei , Wang Tian-Yi
Published: December 2022

Lysozyme is a natural protein with a good bacteriostatic effect, but its poor inhibition of Gram-negative bacteria limits its development potential as a natural preservative. Therefore, the modification of natural lysozyme to expand the antimicrobial spectrum become the focus of lysozyme study. Egg white lysozyme has low cost, rich content in nature, is easy to obtain, strong stability, and high enzyme activity, so it can be applied in the modification of lysozyme. Egg white lysozyme was modified by chemical methods using organic acids. Caffeic acid and p-coumaric acid in organic acids were used as modifiers, and 1-Ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride and N-hydroxy succinimide were used as dehydration condensation agents during modification. A certain degree of modified lysozyme was obtained through appropriate modification conditions. The antibacterial properties and structure of the obtained two organic acid-modified lysozymes were compared with natural enzymes. The results showed that compared with the native enzyme, the activity of modified lysozyme decreased, but the inhibitory effect on Gram-negative bacteria was enhanced. The minimum inhibitory concentrations of caffeic acid-modified enzyme and p-coumaric acid-modified enzyme on Escherichia coli and Pseudomonas aeruginosa were 0.5 mg/mL and 0.75 mg/mL, respectively. However, the antibacterial ability of modified lysozyme to Gram-positive bacteria was lower than that of the natural enzyme. The minimum inhibitory concentration of caffeic acid-modified enzyme and p-coumaric acid-modified enzyme to Staphylococcus aureus and Bacillus subtilis was 1.25 mg/mL. The peak fitting results of the amide-I band absorption peak in the infrared spectroscopy showed that the content of the secondary structure of the two modified enzymes obtained after modification was different from that of natural enzymes. In the study, two organic acids were used to modify egg white lysozyme, which enhanced the enzyme’s inhibition of Gram-negative bacteria, and analyzed the mechanisms for the change in the enzyme’s antibacterial ability from the perspective of the structural change of the modified enzyme, providing a new idea for lysozyme modification.
A Comparative Study on the Reduction Modes for Quinone to Determine Ubiquinone by HPLC with Luminol Chemiluminescence Detection Based on the Redox Reaction
Authors: Kishikawa Naoya , El-Maghrabey Mahmoud , Tobo Miharu , Kuroda Naotaka
Published: December 2022

Ubiquinone (UQ) is considered one of the important biologically active molecules in the human body. Ubiquinone determination in human plasma is important for the investigation of its bioavailability, and also its plasma level is considered an indicator of many illnesses. We have previously developed sensitive and selective chemiluminescence (CL) method for the determination of UQ in human plasma based on its redox cycle with dithiothreitol (DTT) and luminol. However, this method requires an additional pump to deliver DTT as a post-column reagent and has the problems of high DTT consumption and broadening of the UQ peak due to online mixing with DTT. Herein, an HPLC (high-performance liquid chromatography) system equipped with two types of online reduction systems (electrolytic flow cell or platinum catalyst-packed reduction column) that play the role of DTT was constructed to reduce reagent consumption and simplify the system. The newly proposed two methods were carefully optimized and validated, and the analytical performance for UQ determination was compared with that of the conventional DTT method. Among the tested systems, the electrolytic reduction system showed ten times higher sensitivity than the DTT method, with a limit of detection of 3.1 nM. In addition, it showed a better chromatographic performance and the best peak shape with a number of theoretical plates exceeding 6500. Consequently, it was applied to the determination of UQ in healthy human plasma, and it showed good recovery (≥97.9%) and reliable precision (≤6.8%) without any interference from plasma components.
Alpha Ketoglutarate Downregulates the Neutral Endopeptidase and Enhances the Growth Inhibitory Activity of Thiorphan in Highly Aggressive Osteosarcoma Cells
Authors: Mizerska-Kowalska Magdalena , Sławińska-Brych Adrianna , Niedziela Emilia , Brodovskiy Viktor , Zdzisińska Barbara
Published: December 2022

Since natural substances are widely explored as epigenetic modulators of gene expression and epigenetic abnormalities are important causes of cancerogenesis, factors with pro-tumor activities subjected to epigenetic control, e.g., neutral endopeptidase (NEP, neprilysin), are promising anticancer targets for potential therapies acting via epigenetic regulation of gene expression. Alpha-ketoglutarate (AKG) is a naturally occurring co-substrate for enzymes involved in histone and DNA demethylation with suggested anti-cancer activity. Hence, we investigated a potential effect of AKG on the NEP expression in cells derived from various cancers (cervical, colon, osteosarcoma) and normal epithelial cells and osteoblasts. Moreover, the overall methylation status of histone H3 was explored to establish the molecular target of AKG activity. Additionally, it was investigated whether AKG in combination with thiorphan (NEP specific inhibitor) exhibited enhanced anticancer activity. The results revealed that AKG downregulated the expression of NEP at the protein level only in highly aggressive osteosarcoma HOS cells (flow cytometry and fluorometric assays), and this protease was found to be involved in AKG-induced growth inhibition in osteosarcoma cells (siRNA NEP silencing, BrdU assay, flow cytometry). Unexpectedly, AKG-induced hypermethylation of H3K27 in HOS cells, which was partially dependent on EZH2 activity. However, this effect was not implicated in the AKG-induced NEP downregulation (flow cytometry). Finally, the combined treatment with AKG and thiorphan was shown to significantly enhance the growth inhibitory potential of each one towards HOS cells (BrdU assay). These preliminary studies have shown for the first time that the downregulation of NEP expression is a promising target in therapies of NEP-implicating HOS cells. Moreover, this therapeutic goal can be achieved via AKG-induced downregulation of NEP and synergistic activity of AKG with thiorphan, i.e., a NEP specific inhibitor. Furthermore, this study has reported for the first time that exogenous AKG can influence the activity of histone methyltransferase, EZH2. However, this issue needs further investigation to elucidate the mechanisms of this phenomenon.
Correction: Clua et al. Properties of Parallel Tetramolecular G-Quadruplex Carrying N-Acetylgalactosamine as Potential Enhancer for Oligonucleotide Delivery to Hepatocytes. Molecules 2022, 27, 3944
Authors: Clua Anna , Grijalvo Santiago , Erande Namrata , Gupta Swati , Yucius Kristina , Gargallo Raimundo , Mazzini Stefania , Manoharan Muthiah , Eritja Ramon
Published: December 2022

In the original article [...]
Theoretical Study on Non-Linear Optics Properties of Polycyclic Aromatic Hydrocarbons and the Effect of Their Intercalation with Carbon Nanotubes
Authors: Khelladi Imane , Springborg Michael , Rahmouni Ali , Chadli Redouane , Sekkal-Rahal Majda
Published: December 2022

Results of a theoretical study devoted to comparing NLO (non-linear optics) responses of derivatives of tetracene, isochrysene, and pyrene are reported. The static hyperpolarizability β, the dipole moment μ, the HOMO and LUMO orbitals, and their energy gap were calculated using the CAM-B3LYP density functional combined with the cc-pVDZ basis set. The para-disubstituted NO2-tetracene-N(CH3)2 has the highest NLO response, which is related to a large intramolecular charge transfer. Adding vinyl groups to the para-disubstituted NO2-tetracene-N(CH3)2 results in an increase in the NLO responses. We further investigated the effect of the intercalation of various push–pull molecules inside an armchair single-walled carbon nanotube. The intercalation leads to increased NLO responses, something that depends critically on the position of the guest molecule and/or on functionalization of the nanotube by donor and attractor groups.
Lithium Vanadium Oxide/Graphene Composite as a Promising Anode for Lithium-Ion Batteries
Authors: Meng Leichao , Peng Jianhong , Zhang Yi , Cui Yongfu , An Lingyun , Chen Peng , Zhang Fan
Published: December 2022

Lithium vanadium oxide (Li3VO4, LVO) is a promising anode material for lithium-ion batteries (LIBs) due to its high theoretical capacity (394 mAh g−1) and safe working potential (0.5–1.0 V vs. Li+/Li). However, its electrical conductivity is low which leads to poor electrochemical performance. Graphene (GN) shows excellent electrical conductivity and high specific surface area, holding great promise in improving the electrochemical performance of electrode materials for LIBs. In this paper, LVO was prepared by different methods. SEM results showed the obtained LVO by sol-gel method possesses uniform nanoparticle morphology. Next, LVO/GN composite was synthesized by sol-gel method. The flexible GN could improve the distribution of LVO, forming a high conductive network. Thus, the LVO/GN composite showed outstanding cycling performance and rate performance. The LVO/GN composite can provide a high initial capacity of 350.2 mAh g−1 at 0.5 C. After 200 cycles, the capacity of LVO/GN composite remains 86.8%. When the current density increased from 0.2 C to 2 C, the capacity of LVO/GN composite only reduced from 360.4 mAh g−1 to 250.4 mAh g−1, demonstrating an excellent performance rate.
Simulation and Optimization of CNTs Cold Cathode Emission Grid Structure
Authors: Zhang Yang , Liu Xinchuan , Zhao Liye , Li Yuanxun , Li Zhenjun
Published: December 2022

Carbon nanotubes (CNTs) show significant advantages in the development of cold cathode X-ray tubes due to their excellent field emission performance; however, there are still some problems, such as short lifetime and the low emission current of large-area CNTs. In this paper, a front-grid carbon nanotube array model was established, and the electric field intensity near the tip of the CNTs’ electric field enhancement factor was analytically calculated. A simulation model of a CNT three-dimensional field emission electron gun was established by using computer simulation technology (CST). The effects of grid wire diameter, grid aperture shape, and the distribution of grid projection on the cathode surface on the cathode current, anode current, and electron transmission efficiency were analyzed. The aperture ratio was used to evaluate the grid performance, and the simulation results show that the ideal aperture ratio should be between 65% and 85%. A grid structure combining a coarse grid and a fine grid was designed, which can make the electric field intensity around the grid evenly distributed, and effectively increased the cathode emission current by 24.2% compared with the structure without the fine grid. The effect of grid aperture ratio on the electron transmission efficiency was tested. The simulation results and optimized structure can provide a reference for the grid design of cold cathode emission X-ray tubes.
Monitoring In Vitro Extracellular Matrix Protein Conformations in the Presence of Biomimetic Bone-Regeneration Scaffolds Using Functionalized Gold-Edge-Coated Triangular Silver Nanoparticles
Authors: Rodriguez Barroso Laura G. , Azaman Farah Alwani , Pogue Robert , Devine Declan , Fournet Margaret Brennan
Published: December 2022

In the cellular environment, high noise levels, such as fluctuations in biochemical reactions, protein variability, molecular diffusion, cell-to-cell contact, and pH, can both mediate and interfere with cellular functions. In this work, gold edge-coated triangular silver nanoparticles (AuTSNP) were validated as a promising new tool to indicate protein conformational transitions in cultured cells and to monitor essential protein activity in the presence of an optimized bone biomimetic chitosan-based scaffold whose rational design mimics the ECM as a natural scaffold. A chitosan-based scaffold formulation with hydroxyapatite (CS/HAp) was selected due to its promising features for orthopedic applications, including combined high mechanical strength biocompatibility and biodegradability. Functionalized AuTSNP-based tests with the model ECM protein, fibronectin (Fn), illustrate that the protein interactions can be clearly sensed over time through the local surface plasmon resonance (LSPR) technique. This demonstrates that AuTNSP are a powerful tool to detect protein conformational activity in the presence of biomimetic bone tissue regeneration scaffolds within a cellular environment that comprises a diversity of molecular cues.
Antisolvent Engineering to Enhance Photovoltaic Performance of Methylammonium Bismuth Iodide Solar Cells
Authors: Wu Ming-Chung , Ho Ching-Mei , Hsiao Kai-Chi , Chen Shih-Hsuan , Chang Yin-Hsuan , Jao Meng-Huan
Published: December 2022

High absorption ability and direct bandgap makes lead-based perovskite to acquire high photovoltaic performance. However, lead content in perovskite becomes a double-blade for counterbalancing photovoltaic performance and sustainability. Herein, we develop a methylammonium bismuth iodide (MBI), a perovskite-derivative, to serve as a lead-free light absorber layer. Owing to the short carrier diffusion length of MBI, its film quality is a predominant factor to photovoltaic performance. Several candidates of non-polar solvent are discussed in aspect of their dipole moment and boiling point to reveal the effects of anti-solvent assisted crystallization. Through anti-solvent engineering of toluene, the morphology, crystallinity, and element distribution of MBI films are improved compared with those without toluene treatment. The improved morphology and crystallinity of MBI films promote photovoltaic performance over 3.2 times compared with the one without toluene treatment. The photovoltaic device can achieve 0.26% with minor hysteresis effect, whose hysteresis index reduces from 0.374 to 0.169. This study guides a feasible path for developing MBI photovoltaics.
Synthesis of Bimetallic Ni-Co Phosphide Nanosheets for Electrochemical Non-Enzymatic H2O2 Sensing
Authors: Wang Zhi-Yuan , Chang Han-Wei , Tsai Yu-Chen
Published: December 2022

NiCoP nanosheets (NSs) were successfully synthesized using the hydrothermal and high-temperature phosphorization process. The obtained NiCoP NSs were immobilized on a glassy carbon electrode (GCE) and used to construct a novel sensing platform for electrochemical non-enzymatic H2O2 sensing. Physicochemical characteristics of NiCoP NSs were obtained by field-emission scanning electron microscopy (FESEM), field-emission transmission electron microscope (FETEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). In addition, the electrochemical properties of NiCoP NSs were obtained by cyclic voltammetry (CV) and chronoamperometry (CA) towards the non-enzymatic detection of H2O2. FESEM and FETEM images provided a morphological insight (the unique nanosheets morphology of NiCoP) that could expose more active sites to promote mass/charge transport at the electrode/electrolyte interface. XRD and XPS results also confirmed the crystalline nature of the NiCoP nanosheets and the coexistence of multiple transitional metal oxidation states in NiCoP nanosheets. These unique physicochemical characteristics had a degree of contribution to ensuring enhancement in the electrochemical behavior. As a result, the synthesized NiCoP NSs composed of intercalated nanosheets, as well as the synergistic interaction between bimetallic Ni/Co and P atoms exhibited excellent electrocatalytical activity towards H2O2 electroreduction at neutral medium. As the results showed, the electrochemical sensing based on NiCoP NSs displayed a linear range of 0.05~4 mM, a sensitivity of 225.7 μA mM−1 cm−2, a limit of detection (LOD) of 1.190 μM, and good selectivity. It was concluded that NiCoP NSs-based electrochemical sensing might open new opportunities for future construction of H2O2 sensing platforms.
Lithium Prevents Telomere Shortening in Cortical Neurons in Amyloid-Beta Induced Toxicity
Authors: Themoteo Rafael M. , De Paula Vanessa J. R. , Rocha Nicole K. R. , Brentani Helena , Forlenza Orestes V.
Published: December 2022

Background: There is consistent evidence of the potential benefits of lithium attenuating mechanisms of neurodegeneration, including those related to the pathophysiology of Alzheimer’s disease (AD), and facilitating neurotrophic and protective responses, including maintenance of telomere length. The aim was to investigate the protective effect of the pre-treatment with lithium on amyloid-beta (Aβ)-induced toxicity and telomere length in neurons. Methods: Cortical neurons were treated with lithium chloride at therapeutic and subtherapeutic concentrations (2 mM, 0.2 mM and 0.02 mM) for seven days. Amyloid toxicity was induced 24 h before the end of lithium treatment. Results: Lithium resulted in 120% (2 mM), 180% (0.2 mM) and 140% (0.02 mM) increments in telomere length as compared to untreated controls. Incubation with Aβ1-42 was associated with significant reductions in MTT uptake (33%) and telomere length (83%) as compared to controls. Conclusions: Lithium prevented loss of culture viability and telomere shortening in neuronal cultures challenged with Aβ fibrils.
Sex Differences of Radiation Damage in High-Fat-Diet-Fed Mice and the Regulatory Effect of Melatonin
Authors: Ren Jingming , Yuan Tong , Li Hang , Wu Xin , Zhang Junling , Li Deguan , Lu Lu , Fan Saijun
Published: December 2022

The consumption of a high-fat diet (HFD) and exposure to ionizing radiation (IR) are closely associated with many diseases. To evaluate the interaction between HFDs and IR-induced injury, we gave mice whole abdominal irradiation (WAI) to examine the extent of intestinal injury under different dietary conditions. Melatonin (MLT) is a free radical scavenger that effectively prevents hematopoietic, immune, and gastrointestinal damage induced by IR. However, its effects on WAI-induced intestinal injury in HFD-fed mice remain unclear. We demonstrated that MLT can promote intestinal structural repair following WAI and enhance the regeneration capacity of Lgr5+ intestinal stem cells. In addition, we investigated the effects of radiation damage on sexual dimorphism in HFD-fed mice. The results showed that the degree of IR-induced intestinal injury was more severe in the HFD-fed female mice. MLT preserved the intestinal microbiota composition of HFD-fed mice and increased the abundance of Bacteroides and Proteobacteria in male and female mice, respectively. In conclusion, MLT may reduce the negative effects of HFD and IR, thereby providing assistance in preserving the structure and function of the intestine.
Different Clinical Manifestations of Adenoviral Infection Confirmed Using Point-of-Care Testing in a Group of Hospitalized Children
Authors: Ptak Katarzyna , Szymońska Izabela , Olchawa-Czech Anna , Baliga Zuzanna , Sawina Marta , Woźnica Agata , Kwinta Przemko
Published: December 2022

Objective: A restrospective analysis of the clinical picture (inflammatory markers, characteristics of fever, comorbidities) in different clinical manifestations of human adenovirus (HAdV) infections confirmed using point-of-care testing in a group of hospitalized children. Material and Methods: A total of 135 children with confirmed HAdV infections were divided into three groups according to their clinical symptoms: Group A—respiratory (n = 57), Group B—gastrointestinal (n = 40), and Griup C—mixed (n = 38). Results: Respiratory and mixed HAdV-infected patients, as compared with gastrointestinal HAdV-infected patients, were younger (median value (Me) and interquartile range (IQR) (months): 17 (12–30) and 17 (12–27) vs. 30 (16–50), p = 0.04), had a longer duration of fever (days): 3 (1–5) and 3 (1–4) vs. 1 (1–2), p = 0.01), and had higher C-reactive protein values (mg/L): 29.2 (10.4–69.1) and 28.7 (10.8–49.1) vs. <5 (<5–20.6), p < 0.001). There were no correlations between CRP levels and patient’s age, fever duration, the occurrence of acute otitis media and lower respiratory tract infection, and antibiotic treatment before admission. Conclusions: Patients with respiratory HAdV infections have fevers more often, the duration of the fever prior to admission is longer, and CRP levels are higher.
Preclinical Studies of Chiauranib Show It Inhibits Transformed Follicular Lymphoma through the VEGFR2/ERK/STAT3 Signaling Pathway
Authors: Tang Yuanfang , Zhong Mengya , Pan Guangchao , Tan Jinshui , Xie Chendi , Jiang Yuelong , Yao Jingwei , Shan Weihang , Lin Jiaqi , Huang Jiewen , Liu Yating , Li Zhifeng , Xu Bing , Zha Jie
Published: December 2022

Transformed follicular lymphoma (t-FL), for which there is no efficient treatment strategy, has a rapid progression, treatment resistance, and poor prognosis, which are the main reasons for FL treatment failure. In this study, we identified a promising therapeutic approach with chiauranib, a novel orally developed multitarget inhibitor targeting VEGFR/Aurora B/CSF-1R. We first determined the cytotoxicity of chiauranib in t-FL cell lines through CCK-8, EdU staining, flow cytometry, and transwell assays. We also determined the killing effect of chiauranib in a xenograft model. More importantly, we identified the underlying mechanism of chiauranib in t-FL tumorigenesis by immunofluorescence and Western blotting. Treatment with chiauranib significantly inhibited cell growth and migration, promoted apoptosis, induced cell cycle arrest in G2/M phase, and resulted in significant killing in vivo. Mechanistically, chiauranib suppresses the phosphorylation level of VEGFR2, which has an anti-t-FL effect by inhibiting the downstream MEK/ERK/STAT3 signaling cascade. In conclusion, chiauranib may be a potential therapy to treat t-FL, since it inhibits tumor growth and migration and induces apoptosis by altering the VEGFR2/ERK/STAT3 signaling pathway.
9-N-n-alkyl Berberine Derivatives: Hypoglycemic Activity Evaluation
Authors: Khvostov Mikhail V. , Gladkova Elizaveta D. , Borisov Sergey A. , Fedotova Marina S. , Zhukova Nataliya A. , Marenina Mariya K. , Meshkova Yulia V. , Valutsa Nicolae , Luzina Olga A. , Tolstikova Tatiana G. , Salakhutdinov Nariman F.
Published: December 2022

Several novel 9-N-n-alkyl derivatives of berberine (C5, C7, C10, C12) were synthesized. They were analyzed in vitro and in vivo for their hypoglycemic activity. In vitro studies showed that the derivatives with shorter alkyl substitutes at concentrations ranging from 2.5 to 10 μM were able to stimulate glucose consumption by HepG2 cells more prominently than the derivatives with longer substitutes (C10 and C12). All compounds demonstrated a better effect compared to berberine. Their impact on cells’ viability also depended on the alkyl substitutes length, but in this case, C10 and C12 derivatives demonstrated the best results. A similar correlation was also found in the OGTT, where the C5 derivative demonstrated a pronounced hypoglycemic effect at a dose of 15 mg/kg and C12 was less effective. This compound was further investigated in C57BL/6Ay mice for four weeks and was administered at a dose of 15 mg/kg. Pronounced effect of C12 on carbohydrate metabolism in mice was discovered: there was a decrease in fasting glucose levels and an increase in glucose tolerance in OGTT on the 14th and 28th days of the experiment. However, at the end of the experiment, signs of hepatosis exacerbation and an increase in the content of hepatic aminotransferases in blood were found.