bluuebunny/crossref_metadata_2025 huggingface dataset:
Noise Models in Classification: Unified Nomenclature, Extended Taxonomy and Pragmatic Categorization
Authors: Sáez José A.
Published: October 2022

This paper presents the first review of noise models in classification covering both label and attribute noise. Their study reveals the lack of a unified nomenclature in this field. In order to address this problem, a tripartite nomenclature based on the structural analysis of existing noise models is proposed. Additionally, a revision of their current taxonomies is carried out, which are combined and updated to better reflect the nature of any model. Finally, a categorization of noise models is proposed from a practical point of view depending on the characteristics of noise and the study purpose. These contributions provide a variety of models to introduce noise, their characteristics according to the proposed taxonomy and a unified way of naming them, which will facilitate their identification and study, as well as the reproducibility of future research.
A Method for Predicting the Academic Performances of College Students Based on Education System Data
Authors: Liu Chuang , Wang Haojie , Yuan Zhonghu
Published: October 2022

With the development of university campus informatization, effective information mined from fragmented data can greatly improve the management levels of universities and the quality of student training. Academic performances are important in campus life and learning and are important indicators reflecting school administration, teaching level, and learning abilities. As the number of college students increases each year, the quality of teaching in colleges and universities is receiving widespread attention. Academic performances measure the learning ‘effects’ of college students and evaluate the educational levels of colleges and universities. Existing studies related to academic performance prediction often only use a single data source, and their prediction accuracies are often not ideal. In this research, the academic performances of students will be predicted using a feedforward spike neural network trained on data collected from an educational administration system and an online learning platform. Finally, the performance of the proposed prediction model was validated by predicting student achievements on a real dataset (involving a university in Shenyang). The experimental results show that the proposed model can effectively improve the prediction accuracies of student achievements, and its prediction accuracy could reach 70.8%. Using artificial intelligence technology to deeply analyze the behavioral patterns of students and clarify the deep-level impact mechanisms of the academic performances of students can help college educators manage students in a timely and targeted manner, and formulate effective learning supervision plans.
Data Reconstruction-Based Two-Step Non-Intrusive Reduced-Order Modeling Using Fourier Transform and Interpolations
Authors: Lee Jonggeon , Kim Euiyoung , Lee Jaehun
Published: October 2022

This study presents a data reconstruction-based two-step non-intrusive reduced-order modeling (ROM) based on discrete Fourier transformation (DFT) and proper orthogonal decomposition-radial basis function (POD-RBF) interpolation. To efficiently approximate a system for various parametric inputs, two offline and one online stage are proposed. The first offline stage adjusts and reconstructs sampled data using a scaling factor. During the adjusting procedure, the fast Fourier transform operation is used to transform a domain between the time and frequency, and the POD-RBF interpolation method efficiently generates adjusted data. The second offline stage constructs multiple ROMs in the frequency domain for interpolation with respect to the parameter. Finally, in the online stage, the solution field depending on the changes in input parameters, is approximated using the POD-RBF interpolation and the inverse Fourier transformation. The accuracy and efficiency of the proposed method are verified using the 2-D unsteady incompressible Newtonian fluid problems and are compared to the OpenFOAM software program showing remarkable efficiencies in computing approximated solutions.
A Computational Framework for Exploring SARS-CoV-2 Pharmacodynamic Dose and Timing Regimes
Authors: Pateras Joseph , Ghosh Preetam
Published: October 2022

Emerging diseases—and none as recently or devastatingly impactful toward humans as COVID-19—pose an immense challenge to researchers concerned with infectious disease. This study is tasked with expanding the computational probe of treatment regimes in a differential equations-based model of the SARS-CoV-2 host–virus interaction. Parameters within the model are tweaked to simulate dose specifications. Further, parametric variations are introduced in a timed manner to infer the importance of dose timing. Arming in silico testing, and eventually, clinical testing, with abundant information on simulated therapeutic regimes is the overall contribution of this pharmacodynamic model; thus, a wide range of dose and timing combinations are examined. Therapeutic interventions that block viral replication inhibit viral entry into host cells, and vaccination-induced antibodies are all studied alone and in combination. Especially during early detection, exhaustive parameter sweeps of well-suited within-host models are often the first step in the clinical response to a novel disease.
The Extended Half-Skew Normal Distribution
Authors: Santoro Karol I. , Gómez Héctor J. , Gallardo Diego I. , Barranco-Chamorro Inmaculada , Gómez Héctor W.
Published: October 2022

A new class of densities for modelling non-negative data, which is based on the skew-symmetric family of distributions proposed by Azzalini is introduced.We focus on the model generated by the skew-normal distribution, called Extended Half Skew-Normal distribution. Its relevant properties are studied. These are pdf, cdf, moments, mgf, and stochastic representation. The parameters are estimated by moment and maximum likelihood methods. A simulation study to assess the performance of the maximum likelihood estimators in finite samples was carried out. Two real applications are included, in which the EHSN provides a better fit than other proposals in the literature.
Exchangeably Weighted Bootstraps of General Markov U-Process
Authors: Soukarieh Inass , Bouzebda Salim
Published: October 2022

We explore an exchangeably weighted bootstrap of the general function-indexed empirical U-processes in the Markov setting, which is a natural higher-order generalization of the weighted bootstrap empirical processes. As a result of our findings, a considerable variety of bootstrap resampling strategies arise. This paper aims to provide theoretical justifications for the exchangeably weighted bootstrap consistency in the Markov setup. General structural conditions on the classes of functions (possibly unbounded) and the underlying distributions are required to establish our results. This paper provides the first general theoretical study of the bootstrap of the empirical U-processes in the Markov setting. Potential applications include the symmetry test, Kendall’s tau and the test of independence.
Fuzzy Continuous Mappings on Fuzzy F-Spaces
Authors: Nădăban Sorin
Published: October 2022

In the present paper, we first introduce different types of fuzzy continuity for mappings between fuzzy F-normed linear spaces and the relations between them are investigated. Secondly, the principles of fuzzy functional analysis are established in the context of fuzzy F-spaces. More precisely, based on the fact that fuzzy continuity and topological continuity are equivalent, we obtain the closed graph theorem and the open mapping theorem. Using Zabreiko’s lemma, we prove the uniform bounded principle and Banach–Steinhaus theorem. Finally, some future research directions are presented.
Analysis of Multi-Server Priority Queueing System with Hysteresis Strategy of Server Reservation and Retrials
Authors: Dudin Alexander , Dudin Sergey , Manzo Rosanna , Rarità Luigi
Published: October 2022

A multi-server queueing system with two types of requests and preemptive priority of one type is considered as a model of a cell of a cognitive radio system under practical suggestions about the arrival flows. A hysteresis type strategy for server reservation is suggested to mitigate the effect of interruption of service of low priority requests. Under the arbitrarily fixed values of the sets of the thresholds defining this strategy, the behavior of the system is described by a level-dependent multi-dimensional Markov chain. Formulas for computation of values of performance characteristics of the system are derived. Numerical examples illustrating the dependence of the main performance characteristics on the thresholds defining the strategy of control and the numerical solution of the problem of the optimal choice of the thresholds are reported.
Isolation, Synthesis and Absolute Configuration of the Pericharaxins A and B, Epimeric Hydroxy-Polyene Glycerol Ethers from the Calcarean Sponge Pericharax heteroraphis
Authors: Jourdain de Muizon Capucine , Moriou Céline , Petek Sylvain , Ekins Merrick , Rousseau Marthe , Al Mourabit Ali
Published: October 2022

Naturally occurring epimeric hydroxy-polyene glycerol ether pericharaxins A (1a) and B (1b) were isolated from the calcarean sponge Pericharax heteroraphis. The structural and stereochemical characterization of both diastereoisomers were established on the basis of spectroscopic data analysis and total synthesis in seven steps. The mixture of pericharaxins A (1a) and B (1b) was proven to be epimeric by chiral-phase HPLC analysis of both synthetic and natural samples. Further separation of the epimers and application of Mosher’s method to the synthetic compounds allowed unequivocal absolute configuration assignment. While natural products and the synthetic intermediates were shown to be non-cytotoxic on the HCT116 cell line, the endochondral differentiation activity using human type X collagen transcription activity in ATDC5 cells is interesting.
Association of University Students’ COVID-19 Vaccination Intention with Behaviors toward Protection and Perceptions Regarding the Pandemic
Authors: Dafogianni Chrysoula , Kourti Freideriki Eleni , Koutelekos Ioannis , Zartaloudi Afroditi , Dousis Evangelos , Stavropoulou Areti , Margari Nikoletta , Toulia Georgia , Pappa Despoina , Mangoulia Polyxeni , Ferentinou Eftychia , Giga Anna , Gerogianni Georgia
Published: October 2022

Background and Objectives: The COVID-19 pandemic is a serious global health problem. Vaccination is suggested to be one of the most efficacious precautionary measures, in combination with other protective behaviors. The purpose of this study was to explore the association of students’ intention to get vaccinated about COVID-19 with protection behaviors and perceptions about the pandemic. Material and Methods: The study sample included 1920 university students who electronically completed two validated questionnaires anonymously and voluntarily from December 2020 to January 2021. Results: Results of the multiple linear regression analysis showed that as the perceived general risk was getting lower, the number of protective behaviors significantly diminished (p < 0.001). Additionally, respondents who believed that they had minor or no personal risk had undertaken significantly fewer preventing behaviors in comparison with participants who thought they had major personal risk (p = 0.006). However, the experience of respondents with people having COVID-19 had statistically significant association with undertaking more preventing behaviors (p = 0.004). Lower general perception of risk had statistically significant association with lower determination to obtain the vaccines of COVID-19 (p < 0.001). Personally knowing someone who had the coronavirus and undertaking more behavioral changes due to the coronavirus situation were significantly related to greater determination to obtain the vaccines of COVID-19 (p = 0.005 and p < 0.001, respectively). Conclusions: The results of this study can provide universities with the appropriate information about the improvement of COVID-19 vaccination strategies.
An Experimental Murine Model to Assess Biofilm Persistence on Commercial Breast Implant Surfaces
Authors: Carmona-Torre Francisco , Fernández-Ciriza Leire , Berniz Carlos , Gomez-Martinez de Lecea Cristina , Ramos Ana , Hontanilla Bernardo , del Pozo Jose L.
Published: October 2022

Capsular contracture is the most frequently associated complication following breast implant placement. Biofilm formation on the surface of such implants could significantly influence the pathogenesis of this complication. The objective of this study was to design an experimental model of breast implant infection that allowed us to compare the in vivo S. epidermidis ability to form and perpetuate biofilms on commonly used types of breast implants (i.e., macrotexturized, microtexturized, and smooth). A biofilm forming S. epidermidis strain (ATCC 35984) was used for all experiments. Three different implant surface types were tested: McGhan BIOCELL® (i.e., macrotexturized); Mentor Siltex® (i.e., microtexturized); and Allergan Natrelle Smooth® (i.e., smooth). Two different infection scenarios were simulated. The ability to form biofilm on capsules and implants over time was evaluated by quantitative post-sonication culture of implants and capsules biopsies. This experimental model allows the generation of a subclinical staphylococcal infection associated with a breast implant placed in the subcutaneous tissue of Wistar rats. The probability of generating an infection was different according to the type of implant studied and to the time from implantation to implant removal. Infection was achieved in 88.9% of macrotextured implants (i.e., McGhan), 37.0% of microtexturized implants (i.e., Mentor), and 18.5% of smooth implants (i.e., Allergan Smooth) in the short-term (p < 0.001). Infection was achieved in 47.2% of macrotextured implants, 2.8% of microtexturized implants, and 2.8% of smooth implants (i.e., Allergan Smooth) in the long-term (p < 0.001). There was a clear positive correlation between biofilm formation on any type of implant and capsule colonization/infection. Uniformly, the capsules formed around the macro- or microtexturized implants were consistently macroscopically thicker than those formed around the smooth implants regardless of the time at which they were removed (i.e., 1–2 weeks or 3–5 weeks). We have shown that there is a difference in the ability of S epidermidis to develop in vivo biofilms on macrotextured, microtextured, and smooth implants. Smooth implants clearly thwart bacterial adherence and, consequently, biofilm formation and persistence are hindered.
Understanding the Mechanism of Antimicrobial Resistance and Pathogenesis of Salmonella enterica Serovar Typhi
Authors: Khan Maryam , Shamim Saba
Published: October 2022

Salmonella enterica serovar Typhi (S. Typhi) is a Gram-negative pathogen that causes typhoid fever in humans. Though many serotypes of Salmonella spp. are capable of causing disease in both humans and animals alike, S. Typhi and S. Paratyphi are common in human hosts only. The global burden of typhoid fever is attributable to more than 27 million cases each year and approximately 200,000 deaths worldwide, with many regions such as Africa, South and Southeast Asia being the most affected in the world. The pathogen is able to cause disease in hosts by evading defense systems, adhesion to epithelial cells, and survival in host cells in the presence of several virulence factors, mediated by virulence plasmids and genes clustered in distinct regions known as Salmonella pathogenicity islands (SPIs). These factors, coupled with plasmid-mediated antimicrobial resistance genes, enable the bacterium to become resistant to various broad-spectrum antibiotics used in the treatment of typhoid fever and other infections caused by Salmonella spp. The emergence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains in many countries of the world has raised great concern over the rise of antibiotic resistance in pathogens such as S. Typhi. In order to identify the key virulence factors involved in S. Typhi pathogenesis and infection, this review delves into various mechanisms of virulence, pathogenicity, and antimicrobial resistance to reinforce efficacious disease management.
Differential Influences of Wind-Blown Sand Burial on Bacterial and Fungal Communities Inhabiting Biological Soil Crusts in a Temperate Desert, China
Authors: Jia Rongliang , Gao Yanhong , Zhao Lina , Zhang Tao , Guo Hui , You Wanxue , Duan Yulong
Published: October 2022

Biological soil crusts (BSCs) are an integration of external photoautotrophs and internal heterotrophic communities. Sand burial is a ubiquitous disturbance that affects the biodiversity and ecological function of BSCs, but little is known about the influence of sand burial on microbial communities in arid sandy deserts. Here, based on a long-term field experiment and utilizing high-throughput sequencing, we assessed the influence of sand burial on bacterial and fungal communities inhabiting two typical successional stages of BSCs (cyanobacterial crusts for early successional stage and mixed crusts for late successional stage) at the three-sand buried depth (0, 0.5, and 10 mm) in the Tengger Desert, Northern China. We found that the diversity, abundance, and composition of the bacterial and fungal communities were all altered by the sand burial treatment. Different indicator taxa were identified in unburied and buried (shallow and deep) BSCs. Changes in soil properties caused by sand burial have been suggested as a possible cause of changes in the bacterial and fungal community composition in BSCs.
Experimental and Computational Analysis of Newly Synthesized Benzotriazinone Sulfonamides as Alpha-Glucosidase Inhibitors
Authors: Khalid Zunera , Alnuwaiser Maha Abdallah , Ahmad Hafiz Adnan , Shafqat Syed Salman , Munawar Munawar Ali , Kamran Kashif , Abbas Muhammad Mujtaba , Kalam M. A. , Ewida Menna A.
Published: October 2022

Diabetes mellitus is a chronic metabolic disorder in which the pancreas secretes insulin but the body cells do not recognize it. As a result, carbohydrate metabolism causes hyperglycemia, which may be fatal for various organs. This disease is increasing day by day and it is prevalent among people of all ages, including young adults and children. Acarbose and miglitol are famous alpha-glucosidase inhibitors but they complicate patients with the problems of flatulence, pain, bloating, diarrhea, and loss of appetite. To overcome these challenges, it is crucial to discover new anti-diabetic drugs with minimal side effects. For this purpose, benzotriazinone sulfonamides were synthesized and their structures were characterized by FT-IR, 1H-NMR and 13C-NMR spectroscopy. In vitro alpha-glucosidase inhibition studies of all synthesized hybrids were conducted using the spectrophotometric method. The synthesized compounds revealed moderate-to-good inhibition activity; in particular, nitro derivatives 12e and 12f were found to be the most effective inhibitors against this enzyme, with IC50 values of 32.37 ± 0.15 µM and 37.75 ± 0.11 µM. In silico studies, including molecular docking as well as DFT analysis, also strengthened the experimental findings. Both leading compounds 12e and 12f showed strong hydrogen bonding interactions within the enzyme cavity. DFT studies also reinforced the strong binding interactions of these derivatives with biological molecules due to their lowest chemical hardness values and lowest orbital energy gap values.
Selective Formation of Unsymmetric Multidentate Azine-Based Ligands in Nickel(II) Complexes
Authors: Hayibor Kennedy Mawunya , Sunatsuki Yukinari , Suzuki Takayoshi
Published: October 2022

A mixture of 2-pyridine carboxaldehyde, 4-formylimidazole (or 2-methyl-4-formylimidazole), and NiCl2·6H2O in a molar ratio of 2:2:1 was reacted with two equivalents of hydrazine monohydrate in methanol, followed by the addition of aqueous NH4PF6 solution, afforded a NiII complex with two unsymmetric azine-based ligands, [Ni(HLH)2](PF6)2 (1) or [Ni(HLMe)2](PF6)2 (2), in a high yield, where HLH denotes 2-pyridylmethylidenehydrazono-(4-imidazolyl)methane and HLMe is its 2-methyl-4-imidazolyl derivative. The spectroscopic measurements and elemental analysis confirmed the phase purity of the bulk products, and the single-crystal X-ray analysis revealed the molecular and crystal structures of the NiII complexes bearing an unsymmetric HLH or HLMe azines in a tridentate κ3N, N’, N” coordination mode. The HLH complex with a methanol solvent, 1·MeOH, crystallizes in the orthorhombic non-centrosymmetric space group P212121 with Z = 4, affording conglomerate crystals, while the HLMe complex, 2·H2O·Et2O, crystallizes in the monoclinic and centrosymmetric space group P21/n with Z = 4. In the crystal of 2·H2O·Et2O, there is intermolecular hydrogen-bonding interaction between the imidazole N–H and the neighboring uncoordinated azine-N atom, forming a one-dimensional polymeric structure, but there is no obvious magnetic interaction among the intra- and interchain paramagnetic NiII ions.
PET Oncological Radiopharmaceuticals: Current Status and Perspectives
Authors: Lin Mai , Coll Ryan P. , Cohen Allison S. , Georgiou Dimitra K. , Manning Henry Charles
Published: October 2022

Molecular imaging is the visual representation of biological processes that take place at the cellular or molecular level in living organisms. To date, molecular imaging plays an important role in the transition from conventional medical practice to precision medicine. Among all imaging modalities, positron emission tomography (PET) has great advantages in sensitivity and the ability to obtain absolute imaging quantification after corrections for photon attenuation and scattering. Due to the ability to label a host of unique molecules of biological interest, including endogenous, naturally occurring substrates and drug-like compounds, the role of PET has been well established in the field of molecular imaging. In this article, we provide an overview of the recent advances in the development of PET radiopharmaceuticals and their clinical applications in oncology.
Anti-Proliferative and Pro-Apoptotic Effects of Digested Aglianico Grape Pomace Extract in Human Colorectal Cancer Cells
Authors: Caponio Giusy , Cofano Miriam , Lippolis Tamara , Gigante Isabella , De Nunzio Valentina , Difonzo Graziana , Noviello Mirella , Tarricone Luigi , Gambacorta Giuseppe , Giannelli Gianluigi , De Angelis Maria , Notarnicola Maria
Published: October 2022

Grape pomace (GP)—the major by-product of winemaking processes—still contains bioactive molecules with known beneficial properties for human health, such as an antiradical scavenging activity or an antiproliferative activity of tumors. In vitro studies have demonstrated that GP polyphenols specifically influence colon cancer cell proliferation. In addition to previously published work, we tested the phenolic compounds of Aglianico GP following an in vitro simulated gastrointestinal digestion on colorectal cancer cell lines at different degrees of differentiation. Our experiments, using HT29 and SW480 cells, confirmed the anti-proliferative effect of GP gastrointestinal digested extract and provided intriguing insights on the way it influences the cancer cell features (i.e., viability, proliferation, and apoptosis). We observed that Aglianico GP extract showed a great ability to affect cell proliferation and apoptosis. Interestingly, both HT29 and SW480 cells produced a significant increase in Bax, and a significant increase in the Bax/Bcl-2 ratio and caspase-3. The gastrointestinal digested GP extract was previously characterized both for antioxidant activity and phenolic composition. As a result, the TPC and the antioxidant activity reached high values in the Aglianico GP digested extract, and the main compounds assessed by UHPLC-DAD were anthocyanins, phenolic acids, and flavonoids. This work shed light on the use of digested GP extract as a dietary ingredient, a very sustainable source of nutritional compounds with potential health benefits for colon cancer cell proliferation.
Preprocessing NIR Spectra for Aquaphotomics
Authors: Roger Jean-Michel , Mallet Alexandre , Marini Federico
Published: October 2022

Even though NIR spectroscopy is based on the Beer–Lambert law, which clearly relates the concentration of the absorbing elements with the absorbance, the measured spectra are subject to spurious signals, such as additive and multiplicative effects. The use of NIR spectra, therefore, requires a preprocessing step. This article reviews the main preprocessing methods in the light of aquaphotomics. Simple methods for visualizing the spectra are proposed in order to guide the user in the choice of the best preprocessing. The most common chemometrics preprocessing are presented and illustrated by three real datasets. Some preprocessing aims to produce a spectrum as close as possible to the absorbance that would have been measured under ideal conditions and is very useful for the establishment of an aquagram. Others, dedicated to the improvement of the resolution of the spectra, are very useful for the identification of the peaks. Finally, special attention is given to the problem of reducing multiplicative effects and to the potential pitfalls of some very popular methods in chemometrics. Alternatives proposed in recent papers are presented.
Effect of Chitosan and Amphiphilic Polymers on the Photosensitizing and Spectral Properties of Rose Bengal
Authors: Kuryanova Anastasia S. , Savko Marina A. , Kaplin Vladislav S. , Aksenova Nadezhda A. , Timofeeva Victoria A. , Chernyak Aleksandr V. , Glagolev Nicolay N. , Timashev Petr S. , Solovieva Anna B.
Published: October 2022

The influence of chitosan (CS) and amphiphilic polymers (AP: pluronic F108 and polyvinylpyrrolidone (PVP)) on the photocatalytic activity of rose bengal (RB) in a model reaction of tryptophan photo-oxidation in phosphate-buffered saline (PBS) was studied. It was shown that in the presence of CS, the effective rate constant keff of tryptophan photo-oxidation catalyzed by RB in PBS solution decreases by a factor of two. This is due to the ionic interaction of the RB with the chitosan. Rose bengal in a slightly acidic environment (pH 4.5) passes into a neutral lactone form, which sharply reduces the photosensitizing properties of the dye. It was demonstrated that the introduction of AP into a solution containing RB and CS prevents direct interaction between RB and CS. This is evidenced by the presence of photocatalytic activity of the dye in the RB-AP-CS systems, as well as bathochromic shifts of the main absorption bands of the dye, and an increase in the optical density and luminescence intensity of the RB when AP is introduced into a buffer solution containing RB and chitosan. The presence of RB-CS and RB-AP interaction in aqueous and PBS media is confirmed by the increase in the degree of fluorescence anisotropy (r) of these binary systems. In an aqueous solution, the value of r for the RB-F108-CS system decreases by a factor of 3.5 (compared to the value of r for the RB-CS system), which is associated with the localization of the dye in pluronic micelles. In PBS, the fluorescence anisotropy is practically the same for all systems, which is related to the stability of the dye structure in this medium. The presence of interaction between RB and AP in aqueous solutions was confirmed by the proton NMR method. In addition, the formation of RB-F108 macromolecular complexes, which form associates during solution concentration (in particular, during evaporation), was shown by AFM. Such RB-AP-CS systems may be promising for practical application in the treatment of local foci of infections by aPDT.
Advances in Fungal Phenaloenones—Natural Metabolites with Great Promise: Biosynthesis, Bioactivities, and an In Silico Evaluation of Their Potential as Human Glucose Transporter 1 Inhibitors
Authors: Ibrahim Sabrin R. M. , Omar Abdelsattar M. , Muhammad Yosra A. , Alqarni Ali A. , Alshehri Abdullah M. , Mohamed Shaimaa G. A. , Abdallah Hossam M. , Elfaky Mahmoud A. , Mohamed Gamal A. , Xiao Jianbo
Published: October 2022

Phenaloenones are structurally unique aromatic polyketides that have been reported in both microbial and plant sources. They possess a hydroxy perinaphthenone three-fused-ring system and exhibit diverse bioactivities, such as cytotoxic, antimicrobial, antioxidant, and anti-HIV properties, and tyrosinase, α-glucosidase, lipase, AchE (acetylcholinesterase), indoleamine 2,3-dioxygenase 1, angiotensin-I-converting enzyme, and tyrosine phosphatase inhibition. Moreover, they have a rich nucleophilic nucleus that has inspired many chemists and biologists to synthesize more of these related derivatives. The current review provides an overview of the reported phenalenones with a fungal origin, including their structures, sources, biosynthesis, and bioactivities. Moreover, more than 135 metabolites have been listed, and 71 references have been cited. SuperPred, an artificial intelligence (AI) webserver, was used to predict the potential targets for selected phenalenones. Among these targets, we chose human glucose transporter 1 (hGLUT1) for an extensive in silico study, as it shows high probability and model accuracy. Among them, aspergillussanones C (60) and G (60) possessed the highest negative docking scores of −15.082 and −14.829 kcal/mol, respectively, compared to the native inhibitor of 5RE (score: −11.206 kcal/mol). The MD (molecular dynamics) simulation revealed their stability in complexes with GLUT1 at 100 ns. The virtual screening study results open up a new therapeutic approach by using some phenalenones as hGLUT1 inhibitors, which might be a potential target for cancer therapy.
Stab-Resistant Performance of the Well-Engineered Soft Body Armor Materials Using Shear Thickening Fluid
Authors: Wei Rubin , Dong Bin , Zhai Wen , Li Hui
Published: October 2022

Stab-resistant body armor can effectively prevent sharp instruments from attacking the protected parts and reduce the threat to human bodies. Shear thickening fluid (STF) is a kind of smart material with variable viscosity and its viscosity can change significantly with external stimuli. The soft and adaptive characteristics of STF provide a new idea for improving the performance of stab-proof materials. In this work, three kinds of soft anti-stabbing materials were designed and prepared with aramid, poly–p–phenylene benzodioxazole (PBO), and carbon fiber fabrics impregnated with STF. Quasi-static puncture tests and dynamic impact tests were conducted to compare the performance of different anti-stabbing structures. The results showed that the peak piercing force of the STF-treated fabrics in the puncture testing was greatly increased than that of neat samples. Against the D2 knife, the maximum impact load of STF/PBO fiber fabric was increased from 55.8 N to 72.9 N, increasing by 30.6%. Against the D3 spike, the maximum impact load of STF/aramid fabric was increased from 128.9 N to 254.7 N, increasing by 197.6%. The mechanical properties of fibers were important factors for the resistance to knives, and the fabric structure was the key point to bear the spike. Optical photographs of fabric fractures and scanning electron microscope analysis indicated that the STF effectively limited the slip of the fiber bundle when the tool penetrated the fabric, which played a positive role in maintaining the tightness and integrity of the fabric structure.
Authentication of Iranian Saffron (Crocus sativus) Using Stable Isotopes δ13C and δ2H and Metabolites Quantification
Authors: Moras Benjamin , Pouchieu Camille , Gaudout David , Rey Stéphane , Anchisi Anthony , Saupin Xavier , Jame Patrick
Published: October 2022

Saffron is a very high value-added ingredient used in the food supplement market and contains a high level of safranal. Adding synthetic safranal to saffron, which is significantly cheaper, and falsifying the origin of saffron may represent recurrent fraud. Saffron from different countries was analyzed to determine the stable isotope ratios δ13C and δ2H from safranal by gas chromatography coupled with isotope-ratio mass spectrometry (GC-C/P-IRMS) and the concentration of saffron metabolites with ultra-high performance liquid chromatography coupled with diode array detector (UHPLC-DAD). The isotopic analysis highlighted a higher ratio of δ2H in synthetic safranal than in natural safranal; the mean values were 36‰ (+/− 40) and −210‰ (+/− 35), respectively. The δ13C between Iranian, Spanish and other saffron was significantly different and represents median values of −28.62‰, −30.12‰ and −30.70‰, respectively. Moreover, linear and quadratic discriminant analyses (LDA and QDA) were computed using the two isotope ratios of safranal and the saffron metabolites. A first QDA showed that trans-crocetin and the δ13C of safranal, picrocrocin, and crocin C3 concentrations clearly differentiated Iranian saffron from other origins. A second model identified δ13C, trans-crocetin, crocin C2, crocin C3, and picrocrocin as good predictors to discriminate saffron samples from Iran, Spain, or other origins, with a total ability score classification matrix of 100% and a prediction matrix of 82.5%. This combined approach may be a useful tool to authenticate the origin of unknown saffron.
Recovery of Polyphenols Using Pressurized Hot Water Extraction (PHWE) from Black Rosehip Followed by Encapsulation for Increased Bioaccessibility and Antioxidant Activity
Authors: Kasapoğlu Kadriye Nur , Demircan Evren , Gültekin-Özgüven Mine , Kruger Johanita , Frank Jan , Arslaner Ayla , Özçelik Beraat
Published: October 2022

In this work, pressurized hot water extraction (PHWE) of hydrophilic polyphenols from black rosehip fruit was maximized using response surface methodology for simultaneous optimization in terms of extraction yield, total antioxidant capacity, total (poly)phenols, catechin, total monomeric anthocyanins, and cyanidin-3-O-glucoside. Extraction parameters, including temperature (X1: 40–80 °C) and the solvent-to-solid ratio (X2: 10–40 mL/g), were investigated as independent variables. Experimentally obtained values were fitted to a second-order polynomial model, and optimal conditions were determined using multiple regression analysis and analysis of variance. The black rosehip extract (BRE) obtained at optimized PHWE conditions was further encapsulated in biopolymer-coated liposomes and spray dried to enhance its processing and digestive stability. After reconstitution, the fabricated particles had an average size of 247–380 nm and a zeta-potential of 15–45 mV. Moreover, encapsulation provided remarkable protection of the phenolics under in vitro gastrointestinal digestion conditions, resulting in up to a 5.6-fold more phenolics in the bioaccessible fraction, which also had 2.9–8.6-fold higher antioxidant activity compared to the nonencapsulated BRE. In conclusion, PHWE in combination with a biopolymer coating is a potent method for the production of stable and safe edible natural extracts for the delivery of (poly)phenolic compounds in food and dietary supplements.
Wet End Chemical Properties of a New Kind of Fire-Resistant Paper Pulp Based on Ultralong Hydroxyapatite Nanowires
Authors: Dong Li-Ying , Zhu Ying-Jie , Wu Jin
Published: October 2022

In 2014, a new type of the fire-resistant paper based on ultralong hydroxyapatite (HAP) nanowires was reported by the author’s research group, which had superior properties and promising applications in various fields, such as high-temperature resistance, fire retardance, heat insulation, electrical insulation, energy, environmental protection, and biomedicine. The wet end chemical properties of the fire-resistant paper pulp are very important for papermaking and mechanical performance of the paper, which play a guiding role in the practical production of the fire-resistant paper. In this paper, the wet end chemical properties of a new kind of fire-resistant paper pulp based on ultralong HAP nanowires are studied for the first time by focusing on the wet end chemical parameters, the effects of these parameters on the properties such as flocculation, retention, draining, and white water circulation of the fire-resistant paper pulp, and their effects on the properties of the as-prepared fire-resistant paper. The experimental results indicated that the wet end chemical properties of the new kind of fire-resistant paper pulp based on ultralong HAP nanowires were unique and entirely different from those of the traditional paper pulp based on plant fibers. The wet end chemical properties of the fire-resistant paper pulp were significantly influenced by the inorganic adhesive and its content, which affected the runnability of the paper machine and the properties of the as-prepared fire-resistant paper. The flocculation properties of the fire-resistant paper pulp based on ultralong HAP nanowires were affected by the conductivity and Zeta potential. The addition of the inorganic adhesive in the fire-resistant paper pulp based on ultralong HAP nanowires could significantly increase the conductivity of the fire-resistant paper pulp, reduce the particle size of paper pulp floccules, and increase the tensile strength of the fire-resistant paper. In addition, the fire-resistant paper pulp based on ultralong HAP nanowires in the presence of inorganic adhesive exhibited excellent antibacterial performance. This work will contribute to and accelerate the commercialization process and applications of the new type of the fire-resistant paper based on ultralong HAP nanowires.
Chemotaxonomic Markers for the Leaf Buds of Common Finnish Trees and Shrubs: A Rapid UHPLC MS Fingerprinting Tool for Species Identification
Authors: Manninen Marianna , Karonen Maarit , Salminen Juha-Pekka
Published: October 2022

In this study, a chemotaxonomic tool was created on the basis of ultra-high-performance liquid chromatography–mass spectrometry (UHPLC–MS) for the identification of 13 common Finnish deciduous trees and shrubs from their leaf bud metabolites. The bud extracts were screened with UHPLC–ESI–QqQ–MS and UHPLC–ESI–Q–Orbitrap–MS to discover suitable markers for each species. Two approaches were tested in the marker selection: (1) unique species-specific markers to obtain selective fingerprints per species and (2) major markers to maximise the sensitivity of the fingerprints. The markers were used to create two selected ion-recording-based fingerprinting tools with UHPLC–ESI–QqQ–MS. The methods were evaluated for their selectivity, repeatability, and robustness in plant species identification by analysing leaf buds from several replicates of each species. The created chemotaxonomic tools were shown to provide unique chromatographic profiles for the studied species in less than 6 min. A variety of plant metabolites, such as flavonoids, triterpenoids, and hydroxycinnamic acid derivatives, were found to serve as good chemotaxonomic markers for the studied species. In 10 out of 13 cases, species-specific markers were superior in creating selective and repeatable fingerprints.
Chemical Properties of Peanut Oil from Arachis hypogaea L. ‘Tainan 14’ and Its Oxidized Volatile Formation
Authors: Yang Kai-Min , Cheng Ming-Ching , Ye Zih-Sian , Chu Lee-Ping , Chen Hsin-Chun
Published: October 2022

Arachis hypogaea L. ‘Tainan 14’ has purple skin characteristics. This study investigated the effects of different materials (shelled or unshelled peanuts) and temperatures (120 or 140 °C) on the properties of extracted peanut oil. The results show that its antioxidant components (total flavonoid, α–tocopherol, and γ-tocopherol) and oxidative stability were mainly affected by the roasting temperature (p < 0.05). Fifty-eight volatile compounds were identified by peanut oil oxidation and divided into three main groups during the roasting process using principal component analysis. The volatile formation changes of different materials and temperatures were assessed by agglomerative hierarchical clustering analysis. These results provide useful reference information for peanut oil applications in the food industry.
Bioactivity-Guided Fractionation and Identification of Antidiabetic Compound of Syzygium polyanthum (Wight.)’s Leaf Extract in Streptozotocin-Induced Diabetic Rat Model
Authors: Widyawati Tri , Yusoff Nor Adlin , Bello Idris , Asmawi Mohd Zaini , Ahmad Mariam
Published: October 2022

(1) Background: An earlier study on the hypoglycemic activity of S. polyanthum (Wight.) leaf methanol extract identified squalene as the major chemical compound. The present study was conducted to assess the hypoglycemic effect of fractions and subfractions of the methanol extract of S. polyanthum compared to the squalene using a bioassay-guided in vivo study. (2) Methods: The methanol extract was fractionated using the liquid–liquid fractionation method. Streptozotocin-induced type 1 diabetic rat was used to study the hypoglycemic effect. (3) Results: The findings showed that chloroform fraction significantly (p < 0.05) lowered blood glucose levels of diabetic rats as compared to the control. Further fractionation of chloroform fraction yielded subfraction-1 and -2, whereby subfraction-1 exhibited a higher blood-glucose-lowering effect. The lipid profile test showed that the total cholesterol level of subfraction-1 and squalene-treated groups decreased significantly (p < 0.05). An immunohistochemistry study revealed that none of the treatments regenerated pancreatic β-cells. Gas chromatography–mass spectrophotometer analysis identified the presence of squalene in the active methanol extract, chloroform fraction, and subfraction-1. In silico analysis revealed a higher affinity of squalene against protein receptors that control lipid metabolism than metformin. (4) Conclusions: Data obtained from the present work suggested the crude methanol extract exerted the highest hypoglycemic effect compared to fraction, subfraction, and squalene, confirming synergistic effect may be responsible for the hypoglycemic activity of S. polyanthum.
Preparation and Evaluation of [18F]AlF-NOTA-NOC for PET Imaging of Neuroendocrine Tumors: Comparison to [68Ga]Ga-DOTA/NOTA-NOC
Authors: Dam Johan Hygum , Langkjær Niels , Baun Christina , Olsen Birgitte Brinkmann , Nielsen Aaraby Yoheswaran , Thisgaard Helge
Published: October 2022

Background: The somatostatin receptors 1–5 are overexpressed on neuroendocrine neoplasms and, as such, represent a favorable target for molecular imaging. This study investigates the potential of [18F]AlF-NOTA-[1-Nal3]-Octreotide and compares it in vivo to DOTA- and NOTA-[1-Nal3]-Octreotide radiolabeled with gallium-68. Methods: DOTA- and NOTA-NOC were radiolabeled with gallium-68 and NOTA-NOC with [18F]AlF. Biodistributions of the three radioligands were evaluated in AR42J xenografted mice at 1 h p.i and for [18F]AlF at 3 h p.i. Preclinical PET/CT was applied to confirm the general uptake pattern. Results: Gallium-68 was incorporated into DOTA- and NOTA-NOC in yields and radiochemical purities greater than 96.5%. NOTA-NOC was radiolabeled with [18F]AlF in yields of 38 ± 8% and radiochemical purity above 99% after purification. The biodistribution in tumor-bearing mice showed a high uptake in tumors of 26.4 ± 10.8 %ID/g for [68Ga]Ga-DOTA-NOC and 25.7 ± 5.8 %ID/g for [68Ga]Ga-NOTA-NOC. Additionally, [18F]AlF-NOTA-NOC exhibited a tumor uptake of 37.3 ± 10.5 %ID/g for [18F]AlF-NOTA-NOC, which further increased to 42.1 ± 5.3 %ID/g at 3 h p.i. Conclusions: The high tumor uptake of all radioligands was observed. However, [18F]AlF-NOTA-NOC surpassed the other clinically well-established radiotracers in vivo, especially at 3 h p.i. The tumor-to-blood and -liver ratios increased significantly over three hours for [18F]AlF-NOTA-NOC, making it possible to detect liver metastases. Therefore, [18F]AlF demonstrates promise as a surrogate pseudo-radiometal to gallium-68.
LC-MS and Transcriptome Analysis of Lipopeptide Biosynthesis by Bacillus velezensis CMT-6 Responding to Dissolved Oxygen
Authors: Deng Qi , Lin Haisheng , Hua Meifang , Sun Lijun , Pu Yuehua , Liao Jianmeng , Fang Zhijia , Zhong Saiyi , Gooneratne Ravi
Published: October 2022

Dissolved oxygen (DO) is an key factor for lipopeptide fermentation. To better understand the link between oxygen supply and lipopeptide productivity in Bacillus velezensis CMT-6, the mechanism of DO on the synthesis of antimicrobial lipopeptides by Bacillus velezensis CMT-6 was examined. The production of surfactin and iturin of CMT-6 was detected by liquid chromatography–mass spectrometer (LC-MS) under different DO conditions and transcriptome analysis was performed. At 100 and 200 rpm, the lipopeptides productions were 2753.62 mg/L and 3452.90 mg/L, respectively. There was no significant change in the yield of iturin but that of surfactin increased by 64.14%. Transcriptome analysis revealed that the enriched differential genes were concentrated in the GO term of oxidation–reduction process. The marked enrichment of the lipopeptides synthesis pathway, including microbial metabolism in diverse environments and carbon metabolism in the two-component system, were observed. More importantly, the expression levels of the four surfactin synthetase genes increased at higher DO, however, the iturin synthetase gene expression did not. Furthermore, modular surfactin synthetase was overexpressed (between 9- and 49-fold) at 200 rpm but not at 100 rpm, which is suggestive of efficient surfactin assembly resulting in surfactin overproduction. This study provides a theoretical basis for constructing engineering strains with high lipopeptide production to adapt to different DO.
Different Strategies to Attenuate the Toxic Effects of Zinc Oxide Nanoparticles on Spermatogonia Cells
Authors: Vassal Mariana , Pereira Cátia D. , Martins Filipa , Silva Vera L. M. , Silva Artur M. S. , Senos Ana M. R. , Costa Maria Elisabete V. , Pereira Maria de Lourdes , Rebelo Sandra
Published: October 2022

Zinc oxide nanoparticles (ZnO NPs) are one of the most used nanoparticles due to their unique physicochemical and biological properties. There is, however, a growing concern about their negative impact on male reproductive health. Therefore, in the present study, two different strategies were used to evaluate the recovery ability of spermatogonia cells from the first stage of spermatogenesis (GC-1 spg cell line) after being exposed to a cytotoxic concentration of ZnO NPs (20 µg/mL) for two different short time periods, 6 and 12 h. The first strategy was to let the GC-1 cells recover after ZnO NPs exposure in a ZnO NPs-free medium for 4 days. At this phase, cell viability assays were performed to evaluate whether this period was long enough to allow for cell recovery. Exposure to ZnO NPs for 6 h and 12 h induced a decrease in viability of 25% and 41%, respectively. However, the recovery period allowed for an increase in cell viability from 16% to 25% to values as high as 91% and 84%. These results strongly suggest that GC-1 cells recover, but not completely, given that the cell viability does not reach 100%. Additionally, the impact of a synthetic chalcone (E)-3-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (1) to counteract the reproductive toxicity of ZnO NPs was investigated. Different concentrations of chalcone 1 (0–12.5 µM) were used before and during exposure of GC-1 cells to ZnO NPs to mitigate the damage induced by NPs. The protective ability of this compound was evaluated through viability assays, levels of DNA damage, and cytoskeleton dynamics (evaluating the acetylated α-tubulin and β-actin protein levels). The results indicated that the tested concentrations of chalcone 1 can attenuate the genotoxicity induced by ZnO NPs for shorter exposure periods (6 h). Chalcone 1 supplementation also increased cell viability and stabilized the microtubules. However, the antioxidant potential of this compound remains to be elucidated. In conclusion, this work addressed the main cytotoxic effects of ZnO NPs on a spermatogonia cell line and analyzed two different strategies to mitigate this damage, which represent a significant contribution to the field of male fertility.