bluuebunny/crossref_metadata_2025 huggingface dataset:
Point Cloud Convolution Network Based on Spatial Location Correspondence
Authors: Xv Jiabin , Deng Fei , Liu Haibing
Published: November 2022

The study of convolutional neural networks for 3D point clouds is becoming increasingly popular, and the difficulty lies mainly in the disorder and irregularity of point clouds. At present, it is straightforward to propose a convolution operation and perform experimental validation. Although good results are achieved, the principles behind them are not explained—i.e., why this can solve the disorder and irregularity of point clouds—and it is difficult for the researchers to design a point cloud convolution network suitable for their needs. For this phenomenon, we propose a point convolution network framework based on spatial location correspondence. Following the correspondence principle can guide us in designing convolution networks adapted to our needs. We analyzed the intrinsic mathematical nature of the convolution operation, and we argue that the convolution operation remains the same when the spatial location correspondence between the convolution kernel points and the convolution range elements remains unchanged. Guided by this principle, we formulated a general point convolution framework based on spatial location correspondence, which explains how to handle a disordered point cloud. Moreover, we discuss different kinds of correspondence based on spatial location, including M-to-M, M-to-N, and M-to-1 relationships, etc., which explain how to handle the irregularity of point clouds. Finally, we give the example of a point convolution network whose convolution kernel points are generated based on the sample’s covariance matrix distribution according to our framework. Our convolution operation can be applied to various point cloud processing networks. We demonstrated the effectiveness of our framework for point cloud classification and semantic segmentation tasks, achieving competitive results with state-of-the-art networks.
The Integration of Genome-Wide Association Study and Homology Analysis to Explore the Genomic Regions and Candidate Genes for Panicle-Related Traits in Foxtail Millet
Authors: Liu Xiaodong , Yang Yang , Hou Siyou , Men Yihan , Han Yuanhuai
Published: November 2022

Panicle traits are important factors affecting yield, and their improvement has long been a critical goal in foxtail millet breeding. In order to understand the genetic basis of panicle formation, a large-scale genome-wide association study (GWAS) was performed in this study for six panicle-related traits based on 706,646 high-polymorphism SNP loci in 407 accessions. As a result, 87 quantitative trait loci (QTL) regions with a physical distance of less than 100 kb were detected to be associated with these traits in three environments. Among them, 27 core regions were stably detected in at least two environments. Based on rice–foxtail millet homologous comparison, expression, and haplotype analysis, 27 high-confidence candidate genes in the QTL regions, such as Si3g11200 (OsDER1), Si1g27910 (OsMADS6), Si7g27560 (GS5), etc., affected panicle-related traits by involving multiple plant growth regulator pathways, a photoperiod response, as well as panicle and grain development. Most of these genes showed multiple effects on different panicle-related traits, such as Si3g11200 affecting all six traits. In summary, this study clarified a strategy based on the integration of GWAS, a homologous comparison, and haplotype analysis to discover the genomic regions and candidate genes for important traits in foxtail millet. The detected QTL regions and candidate genes could be further used for gene clone and marker-assisted selection in foxtail millet breeding.
Activation of Sonic Hedgehog Signaling Promotes Differentiation of Cortical Layer 4 Neurons via Regulation of Their Cell Positioning
Authors: Oishi Koji , Nakajima Kazunori , Motoyama Jun
Published: November 2022

Neuronal subtypes in the mammalian cerebral cortex are determined by both intrinsic and extrinsic mechanisms during development. However, the extrinsic cues that are involved in this process remain largely unknown. Here, we investigated the role of sonic hedgehog (Shh) in glutamatergic cortical subtype specification. We found that E14.5-born, but not E15.5-born, neurons with elevated Shh expression frequently differentiated into layer 4 subtypes as judged by the cell positioning and molecular identity. We further found that this effect was achieved indirectly through the regulation of cell positioning rather than the direct activation of layer 4 differentiation programs. Together, we provided evidence that Shh, an extrinsic factor, plays an important role in the specification of cortical superficial layer subtypes.
Forestry Bioeconomy Contribution on Socioeconomic Development: Evidence from Greece
Authors: Kalogiannidis Stavros , Kalfas Dimitrios , Loizou Efstratios , Chatzitheodoridis Fotios
Published: November 2022

Forests are of utmost importance for sustainability because of their ongoing contributions to biodiversity protection, fertility management in agricultural areas, and the well-being of people. However, few studies have focused on the extent to which the bioeconomy of forests impacts a country’s social and economic development. This study aimed to examine the bioeconomy contribution of forestry to social and economic development using Greece as a case study. Data was collected from 312 professionals in the forestry and finance sectors of Greece using a survey questionnaire. Forests are associated with direct and indirect contributions that impact human livelihood and contribute toward a country’s economic development. However, the role of forestry in development is affected by policy-related and human-made challenges. The difficulties are primarily caused by shifts in how economic activity is distributed from the agricultural to the industrial to the service sectors, different government policies intended to increase forest cover, and in other instances, as a result of the role of global capital and trade. The forestry contributions to global commerce, national economies, employment, and family incomes remain consistent throughout all these patterns of loss, stabilization, and recovery. It was established that the bioeconomy can increase the benefits of forests by further exploiting forest wealth (biomass, resins) with the direct and indirect benefits for forest-related societies and local economies. In addition, the management and exploitation of forests by adopting bioeconomy practices, allows the attainment of important skills, knowledge, and new fields of entrepreneurship.
Characteristics and Outcomes of Critically Ill Pregnant/Postpartum Women with COVID-19 Pneumonia in Western Balkans, The Republic of Srpska Report
Authors: Kovacevic Pedja , Topolovac Sandra , Dragic Sasa , Jandric Milka , Momcicevic Danica , Zlojutro Biljana , Kovacevic Tijana , Loncar-Stojiljkovic Dragana , Djajic Vlado , Skrbic Ranko , Ećim-Zlojutro Vesna
Published: November 2022

Background and Objectives: Coronavirus disease 2019 (COVID-19) is a novel infectious disease that has spread worldwide. As of 5 March 2020, the COVID-19 pandemic has resulted in approximately 111,767 cases and 6338 deaths in the Republic of Srpska and 375,554 cases and 15,718 deaths in Bosnia and Herzegovina. Our objective in the present study was to determine the characteristics and outcomes of critically ill pregnant/postpartum women with COVID-19 in the Republic of Srpska. Materials and Methods: The retrospective observational study of prospectively collected data included all critically ill pregnant/postpartum women with COVID-19 in a university-affiliated hospital between 1 April 2020 and 1 April 2022. Infection was confirmed by real-time reverse transcriptase polymerase chain reaction (RT-PCR) from nasopharyngeal swab specimens and respiratory secretions. Patients’ demographics, clinical and laboratory data, pharmacotherapy, and neonatal outcomes were analysed. Results: Out of the 153 registered pregnant women with COVID-19 treated at the gynaecology department of the University Clinical Centre of the Republic of Srpska, 19 (12.41%) critically ill pregnant/postpartum women (median age of 36 (IQR, 29–38) years) were admitted to the medical intensive care unit (MICU). The mortality rate was 21.05% (four patients) during the study period. Of all patients (19), 14 gave birth (73.68%), and 4 (21.05%) were treated with veno-venous extracorporeal membrane oxygenation (vvECMO). Conclusions: Fourteen infants were born prematurely and none of them died during hospitalisation. A high mortality rate was detected among the critically ill pregnant/postpartum patients treated with mechanical ventilation and vvECMO in the MICU. The preterm birth rate was high in patients who required a higher level of life support (vvECMO and ventilatory support).
Evaluation of the Sensitivity of Selected Candida Strains to Ozonated Water—An In Vitro Study
Authors: Kuśka-Kiełbratowska Anna , Wiench Rafał , Mertas Anna , Bobela Elżbieta , Kiełbratowski Maksymilian , Lukomska-Szymanska Monika , Tanasiewicz Marta , Skaba Dariusz
Published: November 2022

(1) Background and Objectives: Oral candidiasis has increased significantly in recent years. Increasingly, we encounter treatment difficulties related to drug resistance. Therefore, it is necessary to search for other therapies such as ozone therapy, which has antimicrobial activity. The aim of this study was to determine the sensitivity of selected Candida strains to ozonated water based on concentration and contact time (2) Methods: The sensitivity of Candida strains to ozonated water with a concentration of 5 µg/mL, 30 µg/mL, and 50 µg/mL was assessed using Mosmann’s Tetrazolium Toxicity (MTT) assay. Statistical differences were assessed by the analysis of variance (ANOVA) and the Newman-Keuls post-hoc test. A p-value of ≤0.05 was considered to indicate a statistically significant difference. (3) Results: In all the strains and research trials, the number of viable cells was reduced by ozonated water. The reduction depended on the exposure time and concentration of ozonated water. The highest percentage reduction (34.98%) for the tested samples was obtained for the C. albicans strain after 120 s of exposure at the highest concentration-50 µg/mL. (4) Conclusions: The selected strains of Candida spp. were sensitive to ozonated water at all tested concentrations (5 µg/mL, 30 µg/mL, and 50 µg/mL). The sensitivity of strains to ozonated water increased with concentration and application time. Moreover, the sensitivity of Candida strains to ozonated water is comparable to that of 0.2% chlorhexidine gluconate.
Panorama of Breakthrough Infection Caused by SARS-CoV-2: A Review
Authors: Fan Qinglu , Nie Zhihao , Xie Songping
Published: November 2022

Since the outbreak of the novel coronavirus disease 2019 (COVID-19) in 2019, many countries have successively developed a variety of vaccines against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, with the continuous spread of SARS-CoV-2, it has evolved several variants; as a result, prevention and control of the pandemic of SARS-CoV-2 has become more important. Among these variants, the Omicron variant has higher transmissibility and immune escape ability and is the main variant causing a large number of COVID-19 breakthrough infection, thus, presenting new challenges to pandemic prevention and control. Hence, we review the biological characteristics of the Omicron variant and discuss the current status and possible mechanism of breakthrough infection caused by the Omicron variant in order to provide insights into the prevention and control of the pandemic of SARS-CoV-2.
Large Animal Models for Simulating Physiology of Transfusion of Red Cell Concentrates—A Scoping Review of The Literature
Authors: Berndt Melanie , Buttenberg Maximilian , Graw Jan A.
Published: November 2022

Background and Objectives: Transfusion of red cell concentrates is a key component of medical therapy. To investigate the complex transfusion-associated biochemical and physiological processes as well as potential risks for human recipients, animal models are of particular importance. This scoping review summarizes existing large animal transfusion models for their ability to model the physiology associated with the storage of erythrocyte concentrates. Materials and Methods: The electronic databases PubMed, EMBASE, and Web of Science were systematically searched for original studies providing information on the intravenous application of erythrocyte concentrates in porcine, ovine, and canine animal models. Results: A total of 36 studies were included in the analysis. The majority of porcine studies evaluated hemorrhagic shock conditions. Pig models showed high physiological similarities with regard to red cell physiology during early storage. Ovine and canine studies were found to model typical aspects of human red cell storage at 42 days. Only four studies provided data on 24 h in vivo survival of red cells. Conclusions: While ovine and canine models can mimic typical human erythrocyte storage for up to 42 days, porcine models stand out for reliably simulating double-hit pathologies such as hemorrhagic shock. Large animal models remain an important area of translational research since they have an impact on testing new pharmacological or biophysical interventions to attenuate storage-related adverse effects and allow, in a controlled environment, to study background and interventions in dynamic and severe disease conditions.
Dry Sliding Friction Study of ZrN/CrN Multi-Layer Coatings Characterized by Vibration and Acoustic Emission Signals
Authors: Filippov Andrey , Vorontsov Andrey , Shamarin Nickolay , Moskvichev Evgeny , Novitskaya Olga , Knyazhev Evgeny , Denisova Yuliya , Leonov Andrei , Denisov Vladimir , Tarasov Sergei
Published: November 2022

In this work, we studied single-layer ZrN and CrN coatings, as well as multi-layer ZrN/CrN coatings deposited by the vacuum-arc method on WC-8 wt.% Co substrates. The sliding friction parameters were preset to simulate different operating conditions for coatings, i.e., severe and zero wear regimes. During the tests, the friction coefficient, acoustic emission (AE) and vibration signals were recorded. After testing, the worn surfaces of the samples were studied using confocal laser scanning and scanning electron microscopy, elemental microanalysis and synchrotron XRD. Estimation of vibration accelerations and AE energy turned out to be very effective means of monitoring the wear of coatings, while median AE frequency turned out to be a less informative one. With the increase in the normal load applied on the samples after testing at zero wear regime, the coefficient of friction increased and wear transition to severe wear regime occurred but vibration acceleration decreased. The multi-layer ZrN/CrN coatings demonstrated much higher wear resistance as compared to those of single-layer ZrN and CrN.
Effect of Ionic Strength on Heat-Induced Gelation Behavior of Soy Protein Isolates with Ultrasound Treatment
Authors: Wang Zhaojun , Zeng Lin , Fu Liwei , Chen Qiuming , He Zhiyong , Zeng Maomao , Qin Fang , Chen Jie
Published: November 2022

This study investigated the effect of ultrasound on gel properties of soy protein isolates (SPIs) at different salt concentrations. The results showed that ultrasound could significantly improve the gel hardness and the water holding capacity (WHC) of the salt-containing gel (p < 0.05). The gel presents a uniform and compact three-dimensional network structure. The combination of 200 mM NaCl with 20 min of ultrasound could significantly increase the gel hardness (four times) and the WHC (p < 0.05) compared with the SPI gel without treatment. With the increase in NaCl concentration, the ζ potential and surface hydrophobicity increased, and the solubility decreased. Ultrasound could improve the protein solubility, compensate for the loss of solubility caused by the addition of NaCl, and further increase the surface hydrophobicity. Ultrasound combined with NaCl allowed proteins to form aggregates of different sizes. In addition, the combined treatment increased the hydrophobic interactions and disulfide bond interactions in the gel. Overall, ultrasound could improve the thermal gel properties of SPI gels with salt addition.
New Meroterpenoid and Isocoumarins from the Fungus Talaromyces amestolkiae MST1-15 Collected from Coal Area
Authors: Li Kai-Yu , Zhu Qin-Feng , Ao Jun-Li , Wang Fu-Rui , Long Xing-Mei , Liao Shang-Gao , Xu Guo-Bo
Published: November 2022

Three new compounds including a meroterpenoid (1) and two isocoumarins (8 and 9), together with thirteen known compounds (2–7, 10–16) were isolated from the metabolites of Talaromyces amestolkiae MST1-15. Their structures were identified by a combination of spectroscopic analysis. The absolute configuration of compound 1 was elucidated on the basis of experimental and electronic circular dichroism calculation, and compounds 8 and 9 were determined by Mo2(OAc)4-induced circular dichroism experiments. Compounds 7–16 showed weak antibacterial activities against Stenotrophomonas maltophilia with MIC values ranging from 128 to 512 μg/mL (MICs of ceftriaxone sodium and levofloxacin were 128 and 0.25 μg/mL, respectively).
Decorin Promotes Osteoblastic Differentiation of Human Periodontal Ligament Stem Cells
Authors: Adachi Orie , Sugii Hideki , Itoyama Tomohiro , Fujino Shoko , Kaneko Hiroshi , Tomokiyo Atsushi , Hamano Sayuri , Hasegawa Daigaku , Obata Junko , Yoshida Shinichiro , Kadowaki Masataka , Sugiura Risa , Albougha Mhd Safwan , Maeda Hidefumi
Published: November 2022

The aim of this study is to clarify the biological functions of decorin (DCN) in the healing and regeneration of wounded periodontal tissue. We investigated the expression pattern of DCN during the healing of wounded periodontal tissue in rats by immunohistochemistry and the effects of DCN on the osteoblastic differentiation of human periodontal ligament (PDL) stem cells (HPDLSCs) and preosteoblasts by Alizarin red S staining, quantitative reverse transcription-polymerase chain reactions, and western blotting. The expression of DCN was increased around the wounded PDL tissue on day 5 after surgery compared with the nonwounded PDL tissue, whereas its expression was not changed in the osteoblastic layer around the wounded alveolar bone. Furthermore, DCN promoted the osteoblastic differentiation of HPDLSCs, but it did not affect the osteoblastic differentiation of preosteoblasts. ERK1/2 phosphorylation was upregulated during the DCN-induced osteoblastic differentiation of HPDLSCs. DCN did not affect proliferation, migration, or the PDL-related gene expression of HPDLSCs. In conclusion, this study demonstrates that DCN has a role in the healing of wounded periodontal tissue. Furthermore, DCN secreted from PDL cells may contribute to bone healing by upregulating osteoblastic differentiation through ERK1/2 signaling in HPDLSCs, indicating a therapeutic effect of DCN in periodontal tissue regeneration.
Long-Range Proton Transfer in 7-Hydroxy-Quinoline-Based Azomethine Dyes: A Hidden Reason for the Low Efficiency
Authors: Rode Michał , Nedeltcheva-Antonova Daniela , Antonov Liudmil
Published: November 2022

In the tautomeric Schiff bases, derived from 7-hydroxyquinoline, two competitive channels are possible upon excitation of the enol tautomer, namely proton transfer (PT) through intramolecular hydrogen bonding to the corresponding keto form and trans–cis isomerization around the azomethine double bond. The former leads to switching, based on twist-assisted excited state intramolecular PT, where the long-range proton transfer can occur as a targeted process. The latter, determined by the flexibility of the crane part, reduces the efficiency of the main targeted process. In previously studied molecular switches based on the 7-hydroxyquinoline skeleton, only the intramolecular PT photo-process undergoing from the excited enol form towards the keto tautomer, which is in most cases barrierless, has been discussed. Therefore, in the current study, the ground state PT properties and isomerization of (E)-8-((phenylimino)methyl)quinolin-7-ol and (E)-8-(((pentafluorophenyl)imino)methyl)quinolin-7-ol are investigated in depth using the MP2 methodology, while the excited state energy profiles are calculated with the ADC(2) method. The obtained results are discussed in light of the existing experimental data.
Effect of Solvothermal Temperature on Morphology and Supercapacitor Performance of Ni-MOF
Authors: Shen Wanxin , Guo Xiaotian , Pang Huan
Published: November 2022

A series of Ni-MOF materials were synthesized via a simple hydrothermal method and can be employed as electrodes for supercapacitors (SCs). Different temperatures were selected to unveil the effect of temperature on the formation, structure, and electrochemical performance of Ni-MOF-x (x = 60, 80, 100, and 120). Ni-MOF-80 possessed a larger specific surface area with a cross-network structure formed on its surface. The synthesized Ni-MOF electrode delivered a specific capacity of 30.89 mA h g−1 when the current density reached 1 A g−1 in a three-electrode system. The as-fabricated Ni-MOF materials could be further designed and are expected to deliver satisfactory performance in practice.
New Insight on Phenolic Composition and Evaluation of the Vitamin C and Nutritional Value of Smoothies Sold on the Spanish Market
Authors: Razola-Díaz María del Carmen , Guerra-Hernández Eduardo Jesús , García-Villanova Belén , Verardo Vito
Published: November 2022

Fruits and vegetables are a source of a wide range of nutrients, including bioactive compounds. These compounds have great biological activity and have been linked to the prevention of chronic non-communicable diseases. Currently, the food industry is developing new products to introduce these compounds, whereby smoothies are becoming more popular among consumers. The aim of this study was to evaluate the nutritional quality and the polyphenol and vitamin C content of smoothies available on the Spanish market. An evaluation of the nutritional information and ingredients was carried out. The phenolic compounds were determined by HPLC-ESI-TOF-MS; the vitamin C content was quantified using HPLC-UV/VIS; and the antioxidant activity was analyzed by DPPH and FRAP. Among all of the ingredients of the smoothies, coconut and banana have shown a negative impact on the polyphenol content of the smoothies. In contrast, ingredients such as orange, mango, and passion fruit had a positive correlation with the vitamin C content. Moreover, apple and red fruits showed the highest positive correlations with most of the phenolic acids, flavonoids, total phenolic compounds, and antioxidant activities. In addition, a clustering analysis was performed, and four groups were clearly defined according to the bioactive composition determined here. This research is a precious step for the formulation of new smoothies and to increase their polyphenol quality.
Electron Correlation or Basis Set Quality: How to Obtain Converged and Accurate NMR Shieldings for the Third-Row Elements?
Authors: Rzepiela Kacper , Kaminský Jakub , Buczek Aneta , Broda Małgorzata A. , Kupka Teobald
Published: November 2022

The quality of theoretical NMR shieldings calculated at the quantum-chemical level depends on various theoretical aspects, of which the basis set type and size are among the most important factors. Nevertheless, not much information is available on the basis set effect on theoretical shieldings of the NMR-active nuclei of the third row. Here, we report on the importance of proper basis set selection to obtain accurate and reliable NMR shielding parameters for nuclei from the third row of the periodic table. All calculations were performed on a set of eleven compounds containing the elements Na, Mg, Al, Si, P, S, or Cl. NMR shielding tensors were calculated using the SCF-HF, DFT-B3LYP, and CCSD(T) methods, combined with the Dunning valence aug-cc-pVXZ, core-valence aug-cc-pCVXZ, Jensen polarized-convergent aug-pcSseg-n and Karlsruhe x2c-Def2 basis set families. We also estimated the complete basis set limit (CBS) values of the NMR parameters. Widely scattered nuclear shieldings were observed for the Dunning polarized-valence basis set, which provides irregular convergence. We show that the use of Dunning core-valence or Jensen basis sets effectively reduces the scatter of theoretical NMR results and leads to their exponential-like convergence to CBS. We also assessed the effect of vibrational, temperature, and relativistic corrections on the predicted shieldings. For systems with single bonds, all corrections are relatively small, amounting to less than 4% of the CCSD(T)/CBS value. Vibrational and temperature corrections were less reliable for H3PO and HSiCH due to the high anharmonicity of the molecules. An abnormally high relativistic correction was observed for phosphorus in PN, reaching ~20% of the CCSD(T)/CBS value, while the correction was less than 7% for other tested molecules.
Effect of Ozonation on the Mechanical, Chemical, and Microbiological Properties of Organically Grown Red Currant (Ribes rubrum L.) Fruit
Authors: Kuźniar Piotr , Belcar Justyna , Zardzewiały Miłosz , Basara Oskar , Gorzelany Józef
Published: November 2022

Red currant fruits are a valuable source of micro- and macronutrients, vitamins, and chemical compounds with health-promoting properties, the properties of which change depending on the harvest date and the time and method of storage. This study analysed the effect of applying 10 ppm ozone gas for 15 and 30 min on the mechanical properties, chemical properties and microbiological stability of three organic-grown red currant fruit cultivars. Fruits harvested at the time of harvest maturity had significantly larger diameters and weights and lower water contents compared with fruits harvested seven days earlier, and the ozonation process, regardless of its harvesting date, reduced the physical parameters in question (diameter, weight, and water content). The ascorbic acid content of the ozonated fruit varied, with the highest decreases observed for fruit harvested 7 days before the optimal harvest date and stored for 15 days under refrigeration (an average decrease of 13.31% compared with the control fruit without ozonation). In general, the ozonation process had a positive effect on the variation of fruit antioxidant activity, with the highest average values obtained for fruit harvested 7 days before the optimum harvest date and stored for 15 days under refrigeration conditions; in addition, it also had an effect on reducing the development of microorganisms, including mesophilic aerobic bacteria, yeasts, and moulds, mainly for the cultivar ‘Losan’.
Unconventional Extraction of Total Non-Polar Carotenoids from Pumpkin Pulp and Their Nanoencapsulation
Authors: Pinna Nicola , Ianni Federica , Blasi Francesca , Stefani Arianna , Codini Michela , Sabatini Stefano , Schoubben Aurélie , Cossignani Lina
Published: November 2022

Pumpkin is considered a functional food with beneficial effects on human health due to the presence of interesting bioactives. In this research, the impact of unconventional ultrasound-assisted extraction (UAE) and microwave-assisted extraction techniques on the recovery of total non-polar carotenoids from Cucurbita moschata pulp was investigated. A binary (hexane:isopropanol, 60:40 v/v) and a ternary (hexane:acetone:ethanol, 50:25:25 v/v/v) mixture were tested. The extracts were characterized for their antioxidant properties by in vitro assays, while the carotenoid profiling was determined by high-performance liquid chromatography coupled with a diode array detector. UAE with the binary mixture (30 min, 45 °C) was the most successful extracting technique, taking into consideration all analytical data and their correlations. In parallel, solid lipid nanoparticles (SLN) were optimized for the encapsulation of the extract, using β-carotene as a reference compound. SLN, loaded with up to 1% β-carotene, had dimensions (~350 nm) compatible with increased intestinal absorption. Additionally, the ABTS ((2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) assay showed that the technological process did not change the antioxidant capacity of β-carotene. These SLN will be used to load an even higher percentage of the extract without affecting their dimensions due to its liquid nature and higher miscibility with the lipid with respect to the solid β-carotene.
Comparison of the Effectiveness and Environmental Impact of Selected Methods for the Determination of Fatty Acids in Milk Samples
Authors: Narloch Izabela , Wejnerowska Grażyna
Published: November 2022

Determination of the fatty acid profile in milk samples is one of the most important in food analysis. There are many methodologies for FA determination. The conventional procedure for determining the FA composition of milk is isolation of fat or indirect methylation, trans-methylation, extraction of fatty acids, and analysis by gas chromatography. In this study, eight methods based on alkaline methylation were compared for the analysis of fatty acids in cow’s milk. The response factors (RF) for GC analysis using FID were calculated. For most acids, RFs were close to 1, with the exception of short-chain fatty acids (C4:0–C8:0). To facilitate the selection of the method for the determination of fatty acids in milk samples, the methods were assessed using the environmental assessment tools of the analytical procedure: the Analytical Eco-Scale, Green Analytical Procedure Index (GAPI), and Analytical Greenness for Sample Preparation (AGREEprep). The method based on direct milk methylation received the highest scores. Omitting the lipid separation step has an impact on reducing the quantity of used toxic chemicals and reagents, and produces a smaller amount of waste, a much higher throughput, and a reduced cost analysis.
Anticancer Effects of Propolis Extracts Obtained with the Cold Separation Method on PC-3 and DU-145 Prostate Cancer Cell Lines
Authors: Gogacz Marek , Peszke Jerzy , Natorska-Chomicka Dorota , Makuch-Kocka Anna , Dos Santos Szewczyk Katarzyna
Published: November 2022

Plant extracts are increasingly tested for their biological activity and interactions with neoplastic cells. One of such sources of biologically active substances is propolis. This product has been known for thousands of years and is widely used in alternative, folk medicine. Articles describing its effects on the metabolism and cell signaling pathways of neoplastic cells derived from different organs are also published more and more frequently. The purpose of our study was to evaluate the biological activity of propolis extract produced with the cold separation method into hormone-dependent and hormone-independent prostate cancer cell lines. In our study, the propolis extracts showed at least an inhibitory effect on the growth of PC-3 and DU-145 neoplastic cells. Our results suggest that propolis extracts obtained with the cold separation method may be considered as promising compounds for the production of health-promoting supplements.
Phytochemical Profiles, Antioxidant, Cytotoxic, and Anti-Inflammatory Activities of Traditional Medicinal Plants: Centaurea pichleri subsp. pichleri, Conyza canadensis, and Jasminum fruticans
Authors: Polat Derya Çiçek , İlgün Selen , Karatoprak Gökçe Şeker , Akkol Esra Küpeli , Capasso Raffaele
Published: November 2022

Centaurea pichleri subsp. pichleri, Conyza canadensis, and Jasminum fruticans are traditionally used plants grown in Turkey. Methanol extracts were obtained from these plants and pharmacological activity studies and phytochemical analyses were carried out. To evaluate the phytochemical composition, spectrophotometric and chromatographic techniques were used. The extracts were evaluated for antioxidant activity by DPPH●, ABTS●+ radical scavenging, and FRAP assays. The cytotoxic effects of the extracts were investigated on DU145 prostate cancer and A549 lung cancer cell lines. The anti-inflammatory effects of extracts were investigated on the NO amount, TNF-α, IFN-γ, and PGE 2 levels in lipopolysaccharide-stimulated Raw 264.7 cells. The richest extract in terms of phenolic compounds (98.19 ± 1.64 mgGAE/gextract) and total flavonoids (21.85 ± 0.64 mgCA/gextract) was identified as C. pichleri subsp. pichleri methanol extract. According to antioxidant activity determinations, the C. pichleri subsp. pichleri extract was found to be the most active extract. Finally, the C. pichleri subsp. pichleri methanol extract was revealed to be the most effective inhibitor of viability in the cytotoxic activity investigation, and the extract with the best anti-inflammatory action. The findings point to C. pichleri subsp. pichleri as a promising source of bioactive compounds in the transition from natural sources to industrial uses, such as new medications, cosmeceuticals, and nutraceuticals.
Resveratrol Inhibits Proliferation and Induces Autophagy by Blocking SREBP1 Expression in Oral Cancer Cells
Authors: Fukuda Masakatsu , Ogasawara Yudai , Hayashi Hiroyasu , Inoue Katsuyuki , Sakashita Hideaki
Published: November 2022

Resveratrol is a polyphenolic antioxidant found in grapes, red wine, and peanuts and has been reported to have anti-neoplastic effects on various cancer types. However, the exact mechanism of its anti-cancer effects in oral cancer is not fully understood and remains controversial. Resveratrol exhibits strong hypolipidemic effects; therefore, we examined its effect on lipid metabolism in oral cancer. Resveratrol significantly reduced cell viability and induced autophagic cell death in oral cancer cells but not in normal cells. This selective effect was accompanied by significantly reduced lipogenesis, which is caused by downregulation of the transcription factor sterol regulatory element-binding protein 1 (SREBP1) gene, followed by downregulation of the epidermal fatty acid-binding protein (E-FABP). It was strongly suggested that resveratrol-induced autophagy resulted from the inhibition of SREBP1-mediated cell survival signaling. Luciferase reporter assay further indicated that resveratrol has a potent and specific inhibitory effect on SREBP1-dependent transactivation. Importantly, resveratrol markedly suppressed the growth of oral cancer cells in an animal xenograft model, without exhibiting apparent cytotoxicity. In conclusion, resveratrol induces autophagy in oral cancer cells by suppressing lipid metabolism through the regulation of SREBP1 expression, which highlights a novel mechanism of the anti-cancer effect of resveratrol.
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis
Authors: Sedenkova Kseniya N. , Zverev Denis V. , Nazarova Anna A. , Lavrov Mstislav I. , Radchenko Eugene V. , Grishin Yuri K. , Gabrel’yan Alexey V. , Zamoyski Vladimir L. , Grigoriev Vladimir V. , Averina Elena B. , Palyulin Vladimir A.
Published: November 2022

Positive allosteric modulators (PAMs) of AMPA receptors represent attractive candidates for the development of drugs for the treatment of cognitive and neurodegenerative disorders. Dimeric molecules have been reported to have an especially potent modulating effect, due to the U-shaped form of the AMPA receptor’s allosteric binding site. In the present work, novel bis(pyrimidines) were studied as AMPA receptor modulators. A convenient and flexible preparative approach to bis(pyrimidines) containing a hydroquinone linker was elaborated, and a series of derivatives with varied substituents was obtained. The compounds were examined in the patch clamp experiments for their influence on the kainate-induced currents, and 10 of them were found to have potentiating properties. The best potency was found for 2-methyl-4-(4-((2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy)phenoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine, which potentiated the kainate-induced currents by up to 77% in all tested concentrations (10−12–10−6 M). The results were rationalized via the modeling of modulator complexes with the dimeric ligand binding domain of the GluA2 AMPA receptor, using molecular docking and molecular dynamics simulation. The prediction of ADMET, physicochemical, and PAINS properties of the studied bis(pyrimidines) confirmed that PAMs of this type may act as the potential lead compounds for the development of neuroprotective drugs.
Molecular Methods for Identification and Quantification of Foodborne Pathogens
Authors: Zhang Min , Wu Jiajia , Shi Zhaoai , Cao Aocheng , Fang Wensheng , Yan Dongdong , Wang Qiuxia , Li Yuan
Published: November 2022

Foodborne pathogens that enter the human food chain are a significant threat worldwide to human health. Timely and cost-effective detection of them became challenging for many countries that want to improve their detection and control of foodborne illness. We summarize simple, rapid, specific, and highly effective molecular technology that is used to detect and identify foodborne pathogens, including polymerase chain reaction, isothermal amplification, loop-mediated isothermal amplification, nucleic acid sequence-based amplification, as well as gene chip and gene probe technology. The principles of their operation, the research supporting their application, and the advantages and disadvantages of each technology are summarized.
Lupane Triterpene Derivatives Improve Antiproliferative Effect on Leukemia Cells through Apoptosis Induction
Authors: Valencia-Chan Lía S. , Estrada-Alfaro Neptis , Ceballos-Cruz Jimmy Josué , Torres-Tapia Luis W. , Peraza-Sánchez Sergio R. , Moo-Puc Rosa E.
Published: November 2022

Leukemia is one of the most frequent types of cancer. No effective treatment currently exists, driving a search for new compounds. Simple structural modifications were made to novel triterpenes isolated from Phoradendron wattii. Of the three resulting derivatives, 3α-methoxy-24-hydroxylup-20(29)-en-28-oic acid (T1m) caused a decrease in the median inhibitory concentration (IC50) on the K562 cell line. Its mode of action was apparently apoptosis, ROS generation, and loss of mitochondrial membrane potential (MMP). Molecular docking analysis showed T1m to produce lower binding energies than its precursor for the Bcl-2 and EGFR proteins. Small, simple, and viable modifications to triterpenes can improve their activity against leukemia cell lines. T1m is a potentially promising element for future research. Clarifying the targets in its mode of action will improve its applicability.
Locust Bean Gum, a Vegetable Hydrocolloid with Industrial and Biopharmaceutical Applications
Authors: Petitjean Max , Isasi José Ramón
Published: November 2022

Locust bean gum (LBG), a vegetable galactomannan extracted from carob tree seeds, is extensively used in the food industry as a thickening agent (E410). Its molecular conformation in aqueous solutions determines its solubility and rheological performance. LBG is an interesting polysaccharide also because of its synergistic behavior with other biopolymers (xanthan gum, carrageenan, etc.). In addition, this hydrocolloid is easily modified by derivatization or crosslinking. These LBG-related products, besides their applications in the food industry, can be used as encapsulation and drug delivery devices, packaging materials, batteries, and catalyst supports, among other biopharmaceutical and industrial uses. As the new derivatized or crosslinked polymers based on LBG are mainly biodegradable and non-toxic, the use of this polysaccharide (by itself or combined with other biopolymers) will contribute to generating greener products, considering the origin of raw materials used, the modification procedures selected and the final destination of the products.
Investigation on the Potential Application of Na-Attapulgite as an Excipient in Domperidone Sustained-Release Tablets
Authors: Xiao Yuxuan , Zheng Haiyu , Du Meng , Zhang Zhe
Published: November 2022

In this study, Na-attapulgite was explored as an excipient to prepare domperidone sustained-release tablets and test them in accordance with United States Pharmacopoeia requirements. Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD) and differential scanning calorimetry (DSC) were employed to explore the compatibility between Na-attapulgite and domperidone. The XRD and DSC show no interaction between the drug and Na-attapulgite. The FTIR spectrum indicates a shift in the absorption of N-H in the drug molecule, which can be explained by the hydrogen bonding interaction between the N-H in the DOM molecule and the -OH on the surface of Na-ATP. The diameter, hardness, friability and drug content of the tablets were measured, and they all met the relevant requirements of the United States Pharmacopoeia. In addition, the tablets with Na-attapulgite as excipient exhibit a better release performance within the release time of 12 h. These results demonstrate that the domperidone sustained-release tablets have been successfully prepared by using Na-attapulgite as an excipient. The doping of Na-ATP in domperidone sustained-release tablets improves the cytocompatibility. Moreover, with the increase of Na-ATP content, cells proliferate remarkably and cell activity is significantly enhanced.
Phytoconstituents Assisted Biofabrication of Copper Oxide Nanoparticles and Their Antiplasmodial, and Antilarval Efficacy: A Novel Approach for the Control of Parasites
Authors: Jayaseelan Chidambaram , Abdulhaq Ahmed , Ragavendran Chinnasamy , Mohan Syam
Published: November 2022

The present work aimed to biofabricate copper oxide nanoparticles (CuO NPs) using Tinospora cordifolia leaf extract. The biofabricated CuO NPs were treated against the malarial parasite of chloroquine-resistant Plasmodium falciparum (INDO) and the antilarval efficacy was evaluated against the malaria vector Anopheles stephensi and dengue vector Aedes aegypti. The prominence at 285 nm in the UV–visible spectrum helped to identify the produced CuO NPs. Based on the XRD patterns, the concentric rings correspond to reflections at 38.26° (111), 44.11° (200), 64.58° (220), and 77.34° (311). These separations are indicative of CuO’s face-centered cubic (fcc) structure. The synthesized CuO NPs have FTIR spectra with band intensities of 3427, 2925, 1629, 1387, 1096, and 600 cm−1. The absorbance band at 3427 cm−1 is known to be associated with the stretching O-H due to the alcoholic group. FTIR proved that the presence of the -OH group is responsible for reducing and capping agents in the synthesis of nanoparticles (NPs). The synthesized CuO NPs were found to be polymorphic (oval, elongated, and roughly spherical) in form with a size range of 11–47 nm and an average size of 16 nm when the morphology was examined using FESEM and HRTEM. The highest antiplasmodial efficacy against the chloroquine-resistant strain of P. falciparum (INDO) was found in the synthesized CuO NPs, with LC50 values of 19.82 µg/mL, whilst HEK293 cells are the least toxic, with a CC50 value of 265.85 µg/mL, leading to a selectivity index of 13.41. However, the antiplasmodial activity of T. cordifolia leaf extract (TCLE) and copper sulfate (CS) solution showed moderate activity, with LC50 values of 52.24 and 63.88 µg/mL, respectively. The green synthesized NPs demonstrated extremely high antilarval efficacy against the larvae of An. stephensi and Ae. aegypti, with LC50 values of 4.06 and 3.69 mg/L, respectively.
Transformation of Amides to Thioamides Using an Efficient and Novel Thiating Reagent
Authors: Gomaa Mohamed S. , El Enany Gaber , Fathalla Walid , Ali Ibrahim A. I. , El Rayes Samir. M.
Published: November 2022

A convenient protocol was developed for the transformation of N-aryl-substituted benzamides to N-aryl-substituted benzothioamides using N-isopropyldithiocarbamate isopropyl ammonium salt as a novel thiating reagent. The major advantages of this protocol are its one-pot procedure, short reaction times, mild conditions, simple work-up, high yields and pure products.
Development and Validation of a Method for Determination of 43 Antimicrobial Drugs in Western-Style Pork Products by UPLC-MS/MS with the Aid of Experimental Design
Authors: Yu Xiaoxuan , Wu Xingqiang , Xie Yujie , Tong Kaixuan , Wang Minglin , Li Jianhui , Fan Chunlin , Chen Hui
Published: November 2022

Western-style pork products have attracted many modern urban consumers, and these products have rapidly entered the Chinese market. The current hazard analysis of processed meat products mainly focuses on processing hazards (PAHs, microorganisms, and food additives), with less attention to veterinary drug residues. According to the survey results, the residues of antimicrobial drugs (sulfonamides and quinolones) in pork and its products in China are a severe problem, which may cause metabolic reactions, toxic effects, or enhance drug resistance. This study applied a modified QuEChERS method combined with ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MSMS) to develop a rapid and sensitive method for determining antimicrobial drugs in bacon and ham was successfully evaluated methodologically by EU 2002/657/EC. This study used a three-level, three-factor Box–Behnken design (BBD) to optimize the QuEChERS method by response surface methodology. The excellent linearity of the calibration curve was shown in the corresponding concentration range with a coefficient of determination greater than 0.99. The values of decision limit (CCα) and detection capability (CCβ) were in the range of 10.9–31.3 μg/kg and 11.8–52.5 μg/kg, respectively. The method successfully detected two trace levels of antimicrobial drugs in commercially available samples, including sulfadiazine and moxifloxacin.
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies
Authors: Murali Mahadevamurthy , Gowtham Hittanahallikoppal Gajendramurthy , Shilpa Natarajamurthy , Krishnappa Hemanth Kumar Naguvanahalli , Ledesma Ana E. , Jain Anisha S. , Shati Ali A. , Alfaifi Mohammad Y. , Elbehairi Serag Eldin I. , Achar Raghu Ram , Silina Ekaterina , Stupin Victor , Ortega-Castro Joaquín , Frau Juan , Flores-Holguín Norma , Amruthesh Kestur Nagaraj , Shivamallu Chandan , Kollur Shiva Prasad , Glossman-Mitnik Daniel
Published: November 2022

The ever-expanding pandemic severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has gained attention as COVID-19 and caused an emergency in public health to an unmatched level to date. However, the treatments used are the only options; currently, no effective and licensed medications are available to combat disease transmission, necessitating further research. In the present study, an in silico-based virtual screening of anti-HIV bioactive compounds from medicinal plants was carried out through molecular docking against the main protease (Mpro) (PDB: 6LU7) of SARS-CoV-2, which is a key enzyme responsible for virus replication. A total of 16 anti-HIV compounds were found to have a binding affinity greater than −8.9 kcal/mol out of 150 compounds screened. Pseudohypericin had a high affinity with the energy of −10.2 kcal/mol, demonstrating amino acid residual interactions with LEU141, GLU166, ARG188, and GLN192, followed by Hypericin (−10.1 kcal/mol). Moreover, the ADME (Absorption, Distribution, Metabolism and Excretion) analysis of Pseudohypericin and Hypericin recorded a low bioavailability (BA) score of 0.17 and violated Lipinski’s rule of drug-likeness. The docking and molecular simulations indicated that the quinone compound, Pseudohypericin, could be tested in vitro and in vivo as potent molecules against COVID-19 disease prior to clinical trials.This was also supported by the theoretical and computational studies conducted. The global and local descriptors, which are the underpinnings of Conceptual Density FunctionalTheory (CDFT) have beenpredicted through successful model chemistry, hoping that they could be of help in the comprehension of the chemical reactivity properties of the molecular systems considered in this study.