bluuebunny/crossref_metadata_2025 huggingface dataset:
Interference of Non-Hermiticity with Hermiticity at Exceptional Points
Authors: Znojil Miloslav
Published: October 2022

The recent growth in popularity of the non-Hermitian quantum Hamiltonians H(λ) with real spectra is strongly motivated by the phenomenologically innovative possibility of an access to the non-Hermitian degeneracies called exceptional points (EPs). What is actually presented in the present paper is a perturbation-theory-based demonstration of a fine-tuned nature of this access. This result is complemented by a toy-model-based analysis of the related details of quantum dynamics in the almost degenerate regime with λ≈λ(EP). In similar studies, naturally, one of the decisive obstacles is the highly nontrivial form of the underlying mathematics. Here, many of these obstacles are circumvented via several drastic simplifications of our toy models—i.a., our N by N matrices H(λ)=H(N)(λ) are assumed real, tridiagonal and PT-symmetric, and our H(N)(λ) is assumed to be split into its Hermitian and non-Hermitian components staying in interaction. This is shown to lead to several remarkable spectral features of the model. Up to N=8, their description is even shown tractable non-numerically. In particular, it is shown that under generic perturbation, the “unfolding” removal of the spontaneous breakdown of PT-symmetry proceeds via intervals of λ with complex energy spectra.
Prognostic Abilities of Pre- and Post-Treatment Inflammatory Markers in Oral Squamous Cell Carcinoma: Stepwise Modelling
Authors: Zakaria Sarah Sabrina , Ramanathan Anand , Mat Ripen Zakiah , Ghani Wan Maria Nabillah , Yang Yi-Hsin , Vincent-Chong Vui King , Ismail Siti Mazlipah
Published: October 2022

Background and Objectives: Studies examining the importance of inflammatory markers before treatment as prognosticators of OSCC are available, but information on post-therapy inflammatory markers and their prognostic significance is limited. This study aimed to evaluate the prognostic abilities of pre- and post-treatment inflammatory markers in patients with OSCC. Materials and Methods: In this retrospective analysis, information on 151 OSCC patients’ socio-demographic, clinico-pathological, recurrence, metastasis, and survival data were gathered from clinical records. A multivariable Cox proportional hazards regression (stepwise model) was conducted to identify the prognostic predictors of OS and DFS. The multivariable models’ performances were evaluated using Harrell’s concordance statistics. Results: For OS, high pre-treatment LMR (HR 3.06, 95%CI 1.56, 5.99), and high post-treatment PLC (HR 3.35, 95%CI 1.71, 6.54) and PLR (HR 5.26, 95%CI 2.62, 10.58) were indicative of a poor prognosis. For DFS, high pre-treatment SII (HR 2.59, 95%CI 1.50, 4.48) and high post-treatment PLC (HR 1.92, 95%CI 1.11, 3.32) and PLR (HR 3.44, 95%CI 1.98, 5.07) were associated with increased mortality. The fitness of the OS and DFS stepwise Cox regression models were proven with a time-dependent AUC of 0.8787 and 0.8502, respectively. Conclusions: High pre-treatment levels of LMR and SII and high post-treatment levels of PLC and PLR are independent predictors of a poor prognosis for patients with OSCC.
Vertebral Augmentation: Is It Time to Get Past the Pain? A Consensus Statement from the Sardinia Spine and Stroke Congress
Authors: Hirsch Joshua A. , Zini Chiara , Anselmetti Giovanni Carlo , Ardura Francisco , Beall Douglas , Bellini Matteo , Brook Allan , Cianfoni Alessandro , Clerk-Lamalice Olivier , Georgy Bassem , Maestretti Gianluca , Manfré Luigi , Muto Mario , Ortiz Orlando , Saba Luca , Kelekis Alexis , Filippiadis Dimitrios K. , Marcia Stefano , Masala Salvatore
Published: October 2022

Vertebral augmentation has been used to treat painful vertebral compression fractures and metastatic lesions in millions of patients around the world. An international group of subject matter experts have considered the evidence, including but not limited to mortality. These considerations led them to ask whether it is appropriate to allow the subjective measure of pain to so dominate the clinical decision of whether to proceed with augmentation. The discussions that ensued are related below.
The Use of Diethoxydimethylsilane as the Basis of a Hybrid Organosilicon Material for the Production of Biosensitive Membranes for Sensory Devices
Authors: Kamanina Olga A. , Lantsova Elizaveta A. , Rybochkin Pavel V. , Arlyapov Vyacheslav A. , Plekhanova Yulia V. , Reshetilov Anatoly N.
Published: October 2022

Biomembranes based on an organosilica sol–gel matrix were used to immobilize bacteria Paracoccus yeei VKM B-3302 as part of a biochemical oxygen demand (BOD) biosensor. Diethoxydimethylsilane (DEDMS) and tetraethoxysilane (TEOS) were used as precursors to create the matrix in a 1:1 volume ratio. The use of scanning electron microscopy (SEM) and the low-temperature nitrogen adsorption method (BET) showed that the sol–gel matrix forms a capsule around microorganisms that does not prevent the exchange of substrates and waste products of bacteria to the cells. The use of DEDMS as part of the matrix made it possible to increase the sensitivity coefficient of the biosensor for determining BOD by two orders of magnitude compared to a biosensor based on methyltriethoxysilane (MTES). Additionally, the long-term stability of the bioreceptor increased to 68 days. The use of such a matrix neutralized the effect of heavy metal ions on the microorganisms’ catalytic activity in the biosensor. The developed biosensor was used to analyze water samples from water sources in the Tula region (Russia).
The Future of Climate Modelling: Weather Details, Macroweather Stochastics—Or Both?
Authors: Lovejoy Shaun
Published: October 2022

Since the first climate models in the 1970s, algorithms and computer speeds have increased by a factor of ≈1017 allowing the simulation of more and more processes at finer and finer resolutions. Yet, the spread of the members of the multi-model ensemble (MME) of the Climate Model Intercomparison Project (CMIP) used in last year’s 6th IPCC Assessment Report was larger than ever: model uncertainty, in the sense of MME uncertainty, has increased. Even if the holy grail is still kilometric scale models, bigger may not be better. Why model structures that live for ≈15 min only to average them over factors of several hundred thousand in order to produce decadal climate projections? In this commentary, I argue that alongside the development of “seamless” (unique) weather-climate models that chase ever smaller—and mostly irrelevant—details, the community should seriously invest in the development of stochastic macroweather models. Such models exploit the statistical laws that are obeyed at scales longer than the lifetimes of planetary scale structures, beyond the deterministic prediction limit (≈10 days). I argue that the conventional General Circulation Models and these new macroweather models are complementary in the same way that statistical mechanics and continuum mechanics are equally valid with the method of choice determined by the application. Candidates for stochastic macroweather models are now emerging, those based on the Fractional Energy Balance Equation (FEBE) are particularly promising. The FEBE is an update and generalization of the classical Budyko–Sellers energy balance models, it respects the symmetries of scaling and energy conservation and it already allows for both state-of-the-art monthly and seasonal, interannual temperature forecasts and multidecadal projections. I demonstrate this with 21st century FEBE climate projections for global mean temperatures. Overall, the projections agree with the CMIP5 and CMIP6 multi-model ensembles and the FEBE parametric uncertainty is about half of the MME structural uncertainty. Without the FEBE, uncertainties are so large that climate policies (mitigation) are largely decoupled from climate consequences (warming) allowing policy makers too much “wiggle room”. The lower FEBE uncertainties will help overcome the current “uncertainty crisis”. Both model types are complementary, a fact demonstrated by showing that CMIP global mean temperatures can be accurately projected using such stochastic macroweather models (validating both approaches). Unsurprisingly, they can therefore be combined to produce an optimum hybrid model in which the two model types are used as copredictors: when combined, the various uncertainties are reduced even further.
Butyrate Mitigates Lipopolysaccharide-Induced Intestinal Morphological Changes in Weanling Piglets by Regulating the Microbiota and Energy Metabolism, and Alleviating Inflammation and Apoptosis
Authors: Han Yunsheng , Tang Chaohua , Zhao Qingyu , Fan Shijie , Yang Peilong , Zhang Junmin
Published: October 2022

Butyrate provides energy for colonocytes and is a functional metabolite that mitigates weanling piglet stress. However, its effects and mechanisms remain largely unknown. We established a lipopolysaccharide (LPS)-induced inflammatory stress piglet model to examine how butyrate mechanisms impacted piglet intestinal histology, microbiota, and inflammation. We randomly assigned 18 crossbred male piglets to three treatment groups: CON, LPS, and BT-LPS. Coated butyrate was supplemented in the BT-LPS feed for 21 days. On days 19 and 21, piglets in LPS and BT-LPS groups were challenged with LPS at 100 μg/kg body weight. Dietary butyrate improved LPS-injured intestinal histology by significantly increasing jejunal and ileal villus height, villus height to crypt depth ratios, and decreasing histological scores. LPS challenge activated hypoxia-inducible factor 1α and nuclear factor-κB, and enhanced interleukins (IL-1β, IL-6, IL-12), tumor necrosis factor-α, and also downstream inducible nitric oxide synthase and cyclooxygenase 2, but decreased anti-inflammatory cytokines (IL-10, IL-13). Most molecule levels were significantly reversed by butyrate administration. When compared with the CON or LPS groups, the BT-LPS group had a higher relative abundance of jejunal Firmicutes, Bacteroidetes, Clostridiaceae, Lactobacillus, and Prevotella but a lower abundance of Proteobacteria, Enterobacteriaceae, and Escherichia–Shigella. Phylogenetic investigation of communities by reconstruction of unobserved states and correlation analyses suggested these bacteria contributed to butyrate-alleviating jejunal inflammation and infectious diseases. Butyrate-based diets significantly reduced apoptosis via mitochondrial pathways by downregulating apoptotic caspase 3 mRNA levels. Diets also altered enterocyte metabolism in the jejunum by upregulating peroxisome-proliferator-activated receptor α expression but downregulating carnitine palmitoyltransferase 1 level when compared with CON or LPS groups. Butyrate supplementation improved immunity homeostasis, generated beneficial shifts in microbial communities, improved enterocyte energy metabolism, and prevented apoptosis to protect intestinal histology from LPS-induced injury.
Sensitive, Selective and Reliable Detection of Fe3+ in Lake Water via Carbon Dots-Based Fluorescence Assay
Authors: Xiang Zhuang , Jiang Yuxiang , Cui Chen , Luo Yuanping , Peng Zhili
Published: October 2022

In this study, C-dots were facilely synthesized via microwave irradiation using citric acid and ethylenediamine as carbon precursors. The fluorescence emissions of the C-dots could be selectively quenched by Fe3+, and the degree of quenching was linearly related to the concentrations of Fe3+ presented. This phenomenon was utilized to develop a sensitive fluorescence assay for Fe3+ detection with broad linear range (0–250, 250–1200 μmol/L) and low detection limit (1.68 μmol/L). Most importantly, the assay demonstrated high reliability towards samples in deionized water, tap water and lake water, which should find potential applications for Fe3+ monitoring in complicated environments.
Conformational Essentials Responsible for Neurotoxicity of Aβ42 Aggregates Revealed by Antibodies against Oligomeric Aβ42
Authors: Song Chuli , Zhang Tianyu , Zhang Yingjiu
Published: October 2022

Soluble aggregation of amyloid β-peptide 1-42 (Aβ42) and deposition of Aβ42 aggregates are the initial pathological hallmarks of Alzheimer’s disease (AD). The bipolar nature of Aβ42 molecule results in its ability to assemble into distinct oligomers and higher aggregates, which may drive some of the phenotypic heterogeneity observed in AD. Agents targeting Aβ42 or its aggregates, such as anti-Aβ42 antibodies, can inhibit the aggregation of Aβ42 and toxicity of Aβ42 aggregates to neural cells to a certain extent. However, the epitope specificity of an antibody affects its binding affinity for different Aβ42 species. Different antibodies target different sites on Aβ42 and thus elicit different neuroprotective or cytoprotective effects. In the present review, we summarize significant information reflected by anti-Aβ42 antibodies in different immunotherapies and propose an overview of the structure (conformation)−toxicity relationship of Aβ42 aggregates. This review aimed to provide a reference for the directional design of antibodies against the most pathogenic conformation of Aβ42 aggregates.
Effect of Laser-Induced Optical Breakdown on the Structure of Bsa Molecules in Aqueous Solutions: An Optical Study
Authors: Nagaev Egor I. , Baimler Ilya V. , Baryshev Alexey S. , Astashev Maxim E. , Gudkov Sergey V.
Published: October 2022

The influence of laser radiation of a typical surgical laser on the physicochemical properties of the Bovine Serum Albumin (BSA) protein was studied. It was established that the physicochemical characteristics of optical breakdown weakly depend on the concentration of protein molecules. At the same time, the patterns observed for an aqueous solution of BSA irradiated with a laser for different time periods were extremely similar to the classical ones. It was established that after exposure to laser radiation, the optical density of protein solutions increases. At the same time, the intensity of BSA fluorescence due to aromatic amino acid residues decreases insignificantly after exposure to laser radiation. In this case, the position of the excitation and emission maximum does not change, and the shape of the fluorescence spot on 3D maps also does not change significantly. On the Raman spectrum after exposure to laser radiation, a significant decrease in 1570 cm−1 was observed, which indicates the degradation of α-helices and, as a result, partial denaturation of BSA molecules. Partial denaturation did not significantly change the total area of protein molecules, since the refractive index of solutions did not change significantly. However, in BSA solutions, after exposure to laser radiation, the viscosity increased, and the pseudoplasticity of aqueous solutions decreased. In this case, there was no massive damage to the polypeptide chain; on the contrary, when exposed to optical breakdown, intense aggregation was observed, while aggregates with a size of 400 nm or more appeared in the solution. Thus, under the action of optical breakdown induced by laser radiation in a BSA solution, the processes of partial denaturation and aggregation prevail, aromatic amino acid residues are damaged to a lesser extent, and fragmentation of protein molecules is not observed.
Highly Sensitive, Robust, and Recyclable TiO2/AgNP Substrate for SERS Detection
Authors: Wu Hsing-Yu , Lin Hung-Chun , Liu Yung-Hsien , Chen Kai-Lin , Wang Yu-Hsun , Sun Yung-Shin , Hsu Jin-Cherng
Published: October 2022

Label-free biosensors provide an important platform for detecting chemical and biological substances without needing extra labeling agents. Unlike surface-based techniques such as surface plasmon resonance (SPR), interference, and ellipsometry, surface-enhanced Raman spectroscopy (SERS) possesses the advantage of monitoring analytes both on surfaces and in solutions. Increasing the SERS enhancement is crucial to preparing high-quality substrates without quickly losing their stability, sensitivity, and repeatability. However, fabrication methods based on wet chemistry, nanoimprint lithography, spark discharge, and laser ablation have drawbacks of waste of time, complicated processes, or nonreproducibility in surface topography. This study reports the preparation of recyclable TiO2/Ag nanoparticle (AgNP) substrates by using simple arc ion plating and direct-current (dc) magnetron sputtering technologies. The deposited anatase-phased TiO2 ensured the photocatalytic degradation of analytes. By measuring the Raman spectra of rhodamine 6G (R6G) in titrated concentrations, a limit of detection (LOD) of 10−8 M and a SERS enhancement factor (EF) of 1.01 × 109 were attained. Self-cleaning was performed via UV irradiation, and recyclability was achieved after at least five cycles of detection and degradation. The proposed TiO2/AgNP substrates have the potential to serve as eco-friendly SERS enhancers for label-free detection of various chemical and biological substances.
Cold Sintering of Li6.4La3Zr1.4Ta0.6O12/PEO Composite Solid Electrolytes
Authors: He Binlang , Kang Shenglin , Zhao Xuetong , Zhang Jiexin , Wang Xilin , Yang Yang , Yang Lijun , Liao Ruijin
Published: October 2022

Ceramic/polymer composite solid electrolytes integrate the high ionic conductivity of in ceramics and the flexibility of organic polymers. In practice, ceramic/polymer composite solid electrolytes are generally made into thin films rather than sintered into bulk due to processing temperature limitations. In this work, Li6.4La3Zr1.4Ta0.6O12 (LLZTO)/polyethylene-oxide (PEO) electrolyte containing bis(trifluoromethanesulfonyl)imide (LiTFSI) as the lithium salt was successfully fabricated into bulk pellets via the cold sintering process (CSP). Using CSP, above 80% dense composite electrolyte pellets were obtained, and a high Li-ion conductivity of 2.4 × 10−4 S cm–1 was achieved at room temperature. This work focuses on the conductivity contributions and microstructural development within the CSP process of composite solid electrolytes. Cold sintering provides an approach for bridging the gap in processing temperatures of ceramics and polymers, thereby enabling high-performance composites for electrochemical systems.
Exploratory Quality Control Study for Polygonum multiflorum Thunb. Using Dinuclear Anthraquinones with Potential Hepatotoxicity
Authors: Gao Huiyu , Yang Jianbo , Wang Xueting , Song Yunfei , Cheng Xianlong , Wei Feng , Wang Ying , Gu Donglin , Sun Hua , Ma Shuangcheng
Published: October 2022

In recent years, the hepatotoxicity of Polygoni Multiflora Radix (PMR) has attracted increased research interest. Some studies suggest that anthraquinone may be the main hepatotoxic component. Most of the relevant studies have focused on the mononuclear anthraquinone component rather than binuclear anthraquinones. The hepatotoxicity of dinuclear anthraquinone (dianthrone) was investigated in a cell-based model. Next, a method for the determination of six free and total dianthonones in PMR and PMR Praeparata (PMRP) was established using ultra-high-performance liquid chromatography triple quadrupole mass spectrometry (UPLC-QQQ-MS/MS), which was then used to analyze the collected samples. The data show that four binuclear anthraquinone compounds were hepatotoxic and may be potential toxicity indicators for the safety evaluation of PMR and PMRP. Herein, we provide a theoretical basis for the improvement of PMRP quality standards.
Uranium Isotope (U-232) Removal from Waters by Biochar Fibers: An Adsorption Study in the Sub-Picomolar Concentration Range
Authors: Philippou Maria , Pashalidis Ioannis , Theocharis Charis R.
Published: October 2022

The adsorption of the U-232 radionuclide by biochar fibers in the sub-picomolar concentration range has been investigated in laboratory aqueous solutions and seawater samples. The adsorption efficiency (Kd values and % relative removal) of untreated and oxidized biochar samples towards U-232 has been investigated as a function of pH, adsorbent mass, ionic strength and temperature by means of batch-type experiments. According to the experimental data, the solution pH determines to a large degree the adsorption efficiency, and adsorbent mass and surface oxidation lead to significantly higher Kd values. The ionic strength and temperature effect indicate that the adsorption is based on the formation of inner-sphere complexes, and is an endothermic and entropy-driven process (ΔH° and ΔS° > 0), respectively. Regarding the sorption kinetics, the diffusion of U-232 from the solution to the biochar surface seems to be the rate-determining step. The application of biochar-based adsorbents to treat radioactively (U-232) contaminated waters reveals that these materials are very effective adsorbents, even in the sub-picomolar concentration range.
Layer-by-Layer Self-Assembly Coating for Multi-Functionalized Fabrics: A Scientometric Analysis in CiteSpace (2005–2021)
Authors: Pan Ying , Fu Li , Du Jia , Zhang Dong , Lü Ting , Zhang Yan , Zhao Hongting
Published: October 2022

Surface-engineered coatings have been increasingly applied to functionalize fabrics due to the ease of deposition of the coatings and their effectiveness in endowing the fabric with abundant properties. Among the surface modification methods, layer-by-layer (LbL) self-assembly has emerged as an important approach for creating multifunctional surfaces on fabrics. In this review, bibliometric analysis with the visualization analysis of LbL self-assembly coatings on fabrics was performed on publications extracted from the Web of Science (WOS) from 2005 to 2021 based on the CiteSpace software. The analysis results showed that research on LbL self-assembly coatings on fabrics has attracted much attention, and this technique has plentiful and flexible applications. Moreover, research on the LbL self-assembly method in the field of functionalization of fabrics has been summarized, which include flame retardant fabric, antibacterial fabric, ultraviolet resistant fabric, hydrophobic fabric and electromagnetic shielding fabric. It was found that the functionalization of the fabric has been changing from singularity to diversification. Based on the review, several future research directions can be proposed. The weatherability, comfort, cost and environmental friendliness should be considered when the multifunctional coatings are designed.
Luminescent Carbon Dots from Wet Olive Pomace: Structural Insights, Photophysical Properties and Cytotoxicity
Authors: Sousa Diogo A. , Ferreira Luís F. V. , Fedorov Alexander A. , Rego Ana M. B. do , Ferraria Ana M. , Cruz Adriana B. , Berberan-Santos Mário N. , Prata José V.
Published: October 2022

Carbon nanomaterials endowed with significant luminescence have been synthesized for the first time from an abundant, highly localized waste, the wet pomace (WP), a semi-solid by-product of industrial olive oil production. Synthetic efforts were undertaken to outshine the photoluminescence (PL) of carbon nanoparticles through a systematic search of the best reaction conditions to convert the waste biomass, mainly consisting in holocellulose, lignin and proteins, into carbon dots (CDs) by hydrothermal carbonization processes. Blue-emitting CDs with high fluorescence quantum yields were obtained. Using a comprehensive set of spectroscopic tools (FTIR, Raman, XPS, and 1H/13C NMR) in combination with steady-state and time-resolved fluorescence spectroscopy, a rational depiction of WP-CDs structures and their PL properties was reached. WP-CDs show the up-conversion of PL capabilities and negligible cytotoxicity against two mammalian cell lines (L929 and HeLa). Both properties are excellent indicators for their prospective application in biological imaging, biosensing, and dynamic therapies driven by light.
Fabrication of Orange Fluorescent Boron-Doped Graphene Quantum Dots for Al3+ Ion Detection
Authors: Li Weitao , Zhang Luoman , Jiang Ningjia , Chen Yongqian , Gao Jie , Zhang Jihang , Yang Baoshuo , Liu Jialin
Published: October 2022

Aluminum is a kind of metal that we often encounter. It can also be absorbed by the human body invisibly and will affect our bodies to a certain extent, e.g., by causing symptoms associated with Alzheimer’s disease. Therefore, the detection of aluminum is particularly important. The methods to detect metal ions include precipitation methods and electrochemical methods, which are cumbersome and costly. Fluorescence detection is a fast and sensitive method with a low cost and non-toxicity. Traditional fluorescent nanomaterials have a high cost, high toxicity, and cause harm to the human body. Graphene quantum dots are a new type of fluorescent nanomaterials with a low cost and non-toxicity that can compensate for the defects of traditional fluorescent nanomaterials. In this paper, c-GQDs and o-GQDs with good performance were prepared by a bottom-up hydrothermal method using o-phenylenediamine as a precursor and citric acid or boric acid as modulators. They have very good optical properties: o-GQDs exhibit orange fluorescence under UV irradiation, while c-GQDs exhibits cyan fluorescence. Then, different metal ions were used for ion detection, and it was found that Al3+ had a good quenching effect on the fluorescence of the o-GQDs. The reason for this phenomenon may be related to the strong binding of Al3+ ions to the N and O functional groups of the o-GQDs and the rapid chelation kinetics. During the chelation process, the separation of o-GQDs’ photoexcited electron hole pairs leads to their rapid electron transfer to Al3+, in turn leading to the occurrence of a fluorescence-quenching phenomenon. In addition, there was a good linear relationship between the concentration of the Al3+ ions and the fluorescence intensity, and the correlation coefficient of the linear regression equation was 0.9937. This illustrates the potential for the wide application of GQDs in sensing systems, while also demonstrating that Al3+ sensors can be used to detect Al3+ ions.
On Some Topological Indices Defined via the Modified Sombor Matrix
Authors: Zuo Xuewu , Rather Bilal Ahmad , Imran Muhammad , Ali Akbar
Published: October 2022

Let G be a simple graph with the vertex set V={v1,…,vn} and denote by dvi the degree of the vertex vi. The modified Sombor index of G is the addition of the numbers (dvi2+dvj2)−1/2 over all of the edges vivj of G. The modified Sombor matrix AMS(G) of G is the n by n matrix such that its (i,j)-entry is equal to (dvi2+dvj2)−1/2 when vi and vj are adjacent and 0 otherwise. The modified Sombor spectral radius of G is the largest number among all of the eigenvalues of AMS(G). The sum of the absolute eigenvalues of AMS(G) is known as the modified Sombor energy of G. Two graphs with the same modified Sombor energy are referred to as modified Sombor equienergetic graphs. In this article, several bounds for the modified Sombor index, the modified Sombor spectral radius, and the modified Sombor energy are found, and the corresponding extremal graphs are characterized. By using computer programs (Mathematica and AutographiX), it is found that there exists only one pair of the modified Sombor equienergetic chemical graphs of an order of at most seven. It is proven that the modified Sombor energy of every regular, complete multipartite graph is 2; this result gives a large class of the modified Sombor equienergetic graphs. The (linear, logarithmic, and quadratic) regression analyses of the modified Sombor index and the modified Sombor energy together with their classical versions are also performed for the boiling points of the chemical graphs of an order of at most seven.
The Enteric Glia and Its Modulation by the Endocannabinoid System, a New Target for Cannabinoid-Based Nutraceuticals?
Authors: López-Gómez Laura , Szymaszkiewicz Agata , Zielińska Marta , Abalo Raquel
Published: October 2022

The enteric nervous system (ENS) is a part of the autonomic nervous system that intrinsically innervates the gastrointestinal (GI) tract. Whereas enteric neurons have been deeply studied, the enteric glial cells (EGCs) have received less attention. However, these are immune-competent cells that contribute to the maintenance of the GI tract homeostasis through supporting epithelial integrity, providing neuroprotection, and influencing the GI motor function and sensation. The endogenous cannabinoid system (ECS) includes endogenous classical cannabinoids (anandamide, 2-arachidonoylglycerol), cannabinoid-like ligands (oleoylethanolamide (OEA) and palmitoylethanolamide (PEA)), enzymes involved in their metabolism (FAAH, MAGL, COX-2) and classical (CB1 and CB2) and non-classical (TRPV1, GPR55, PPAR) receptors. The ECS participates in many processes crucial for the proper functioning of the GI tract, in which the EGCs are involved. Thus, the modulation of the EGCs through the ECS might be beneficial to treat some dysfunctions of the GI tract. This review explores the role of EGCs and ECS on the GI tract functions and dysfunctions, and the current knowledge about how EGCs may be modulated by the ECS components, as possible new targets for cannabinoids and cannabinoid-like molecules, particularly those with potential nutraceutical use.
Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1
Authors: Neto Moysés F. A. , Campos Joaquín M. , Cerqueira Amanda P. M. , de Lima Lucio R. , Da Costa Glauber V. , Ramos Ryan Da S. , Junior Jairo T. Magalhães , Santos Cleydson B. R. , Leite Franco H. A.
Published: October 2022

The Aedes aegypti mosquito is the main hematophagous vector responsible for arbovirus transmission in Brazil. The disruption of A. aegypti hematophagy remains one of the most efficient and least toxic methods against these diseases and, therefore, efforts in the research of new chemical entities with repellent activity have advanced due to the elucidation of the functionality of the olfactory receptors and the behavior of mosquitoes. With the growing interest of the pharmaceutical and cosmetic industries in the development of chemical entities with repellent activity, computational studies (e.g., virtual screening and molecular modeling) are a way to prioritize potential modulators with stereoelectronic characteristics (e.g., pharmacophore models) and binding affinity to the AaegOBP1 binding site (e.g., molecular docking) at a lower computational cost. Thus, pharmacophore- and docking-based virtual screening was employed to prioritize compounds from Sigma-Aldrich® (n = 126,851) and biogenic databases (n = 8766). In addition, molecular dynamics (MD) was performed to prioritize the most potential potent compounds compared to DEET according to free binding energy calculations. Two compounds showed adequate stereoelectronic requirements (QFIT > 81.53), AaegOBP1 binding site score (Score > 42.0), volatility and non-toxic properties and better binding free energy value (∆G < −24.13 kcal/mol) compared to DEET ((N,N-diethyl-meta-toluamide)) (∆G = −24.13 kcal/mol).
Nanozyme Based on Dispersion of Hemin by Graphene Quantum Dots for Colorimetric Detection of Glutathione
Authors: Li Zhaoshen , Deng Xiaochun , Hong Xiaoping , Zhao Shengfa
Published: October 2022

Compared with natural enzymes, nanozymes have the advantages of good catalytic performance, high stability, low cost, and can be used under extreme conditions. Preparation of highly active nanozymes through simple methods and their application in bioanalysis is highly desirable. In this work, a nanozyme based on dispersion of hemin by graphene quantum dot (GQD) is demonstrated, which enables colorimetric detection of glutathione (GSH). GQD was prepared by a one-step hydrothermal synthesis method. Hemin, the catalytic center of heme protein but with low solubility and easy aggregation that limits its catalytic activity, can be dispersed with GQD by simple sonication. The as-prepared Hemin/GQD nanocomplex had excellent peroxidase-like activity and can be applied as a nanozyme. In comparison with natural horseradish peroxidase (HRP), Hemin/GQD nanozyme exhibited a clearly reduced Michaelis–Menten constant (Km) when tetramethylbenzidine (TMB) was used as the substrate. With H2O2 being the substrate, Hemin/GQD nanozyme exhibited a higher maximum reaction rate (Vmax) than HRP. The mechanisms underlying the nanozyme activity were investigated through a free radical trapping experiment. A colorimetric platform capable of sensitive detection of GSH was developed as the proof-of-concept demonstration. The linear detection range was from 1 μM to 50 μM with a low limit of detection of 200 nM (S/N = 3). Determination of GSH in serum samples was also achieved.
G-Quadruplex Aptamer-Ligand Characterization
Authors: Moreira David , Leitão Daniela , Lopes-Nunes Jéssica , Santos Tiago , Figueiredo Joana , Miranda André , Alexandre Daniela , Tomaz Cândida , Mergny Jean-Louis , Cruz Carla
Published: October 2022

In this work we explore the structure of a G-rich DNA aptamer termed AT11-L2 (TGGTGGTGGTTGTTGTTGGTGGTGGTGGT; derivative of AT11) by evaluating the formation and stability of G-quadruplex (G4) conformation under different experimental conditions such as KCl concentration, temperature, and upon binding with a variety of G4 ligands (360A, BRACO-19, PDS, PhenDC3, TMPyP4). We also determined whether nucleolin (NCL) can be a target of AT11-L2 G4. Firstly, we assessed by circular dichroism, UV and NMR spectroscopies the formation of G4 by AT11-L2. We observed that, for KCl concentrations of 65 mM or less, AT11-L2 adopts hybrid or multiple topologies. In contrast, a parallel topology predominates for buffer containing 100 mM of KCl. The Tm of AT11-L2 in 100 mM of KCl is 38.9 °C, proving the weak stability of this sequence. We also found that upon titration with two molar equivalents of 360A, BRACO-19 and PhenDC3, the G4 is strongly stabilized and its topology is maintained, while the addition of 3.5 molar equivalents of TMPyP4 promotes the disruption of G4. The KD values between AT11-L2 G4, ligands and NCL were obtained by fluorescence titrations and are in the range of µM for ligand complexes and nM when adding NCL. In silico studies suggest that four ligands bind to the AT11-L2 G4 structure by stacking interactions, while the RBD1,2 domains of NCL interact preferentially with the thymines of AT11-L2 G4. Finally, AT11-L2 G4 co-localized with NCL in NCL-positive tongue squamous cell carcinoma cell line.
Ten Years Milestones in Xanthine Oxidase Inhibitors Discovery: Febuxostat-Based Inhibitors Trends, Bifunctional Derivatives, and Automatized Screening Assays
Authors: de Abreu Miguel F. S. , Wegermann Camila A. , Ceroullo Millena S. , Sant’Anna Isabella G. M. , Lessa Renato C. S.
Published: October 2022

Xanthine oxidase (XO) is an enzyme involved in the oxidative process of hypoxanthine and xanthine to uric acid (UA). This process also produces reactive oxygen species (ROS) as byproducts. Both UA and ROS are dangerous for human health, and some health conditions trigger upregulation of XO activity, which results in many diseases (cancer, atherosclerosis, hepatitis, gout, and others) given the worsened scenario of ROS and UA overproduction. So, XO became an attractive target to produce and discover novel selective drugs based on febuxostat, the most recent XO inhibitor out of only two approved by FDA. Under this context, high-performance liquid chromatography (HPLC) and capillary electrophoresis (CE) have been successfully applied to rapidly and easily screen for bioactive compounds, isolated or in complex natural matrixes, that act as enzyme inhibitors through the use of an immobilized enzyme reactor (IMER). This article’s goal is to present advances comprising febuxostat-based XO inhibitors as a new trend, bifunctional moieties capable of inhibiting XO and modulating ROS activity, and in-flow techniques employing an IMER in HPLC and CE to screen for synthetic and natural compounds that act as XO inhibitors.
Design, Synthesis, and Photo-Responsive Properties of a Collagen Model Peptide Bearing an Azobenzene
Authors: Sato Daisuke , Goto Hitomi , Ishizaki Yui , Narimatsu Tetsuya , Kato Tamaki
Published: October 2022

Collagen is a vital component of the extracellular matrix in animals. Collagen forms a characteristic triple helical structure and plays a key role in supporting connective tissues and cell adhesion. The ability to control the collagen triple helix structure is useful for medical and conformational studies because the physicochemical properties of the collagen rely on its conformation. Although some photo-controllable collagen model peptides (CMPs) have been reported, satisfactory photo-control has not yet been achieved. To achieve this objective, detailed investigation of the isomerization behavior of the azobenzene moiety in CMPs is required. Herein, two CMPs were attached via an azobenzene linker to control collagen triple helix formation by light irradiation. Azo-(PPG)10 with two (Pro-Pro-Gly)10 CMPs linked via a photo-responsive azobenzene moiety was designed and synthesized. Conformational changes were evaluated by circular dichroism and the cis-to-trans isomerization rate calculated from the absorption of the azobenzene moiety indicated that the collagen triple helix structure was partially disrupted by isomerization of the internal azobenzene.
Percutaneous Vertebroplasty: A Minimally Invasive Procedure for the Management of Vertebral Compression Fractures
Authors: Faiella Eliodoro , Pacella Giuseppina , Altomare Carlo , Bernetti Caterina , Sarli Marina , Cea Laura , Russo Fabrizio , Vadalà Gianluca , Beomonte Zobel Bruno , Grasso Rosario Francesco
Published: October 2022

A vertebral compression fracture (VCF) is a pathological condition, which can be caused by osteoporotic degeneration or metastatic disease. It represents a socioeconomic burden on healthcare systems, due to increased pain, long-term morbidity, and disability. Vertebroplasty (VP) is an image-guided, minimally invasive, interventional procedure, in which bone cement is injected via a percutaneous approach into the vertebral soma, to provide structural support and to stabilize the weakened structure. The aim of this narrative review is to describe vertebral column biomechanics, as well as indications, contraindications, and techniques to successfully perform VP for the treatment of VCFs. Methods: We performed a narrative literature review on the main online databases regarding VP, and mainly focused on patient selection, preoperative imaging, procedural steps, complications, and outcomes. Results: The most recent evidence in the literature has shown that VP provides significant and sustained clinical benefits for patients with a VCF, and it is indicated in patients with comorbidities that make prolonged bed rest dangerous, patients with fractures that fail to heal, and as palliation in patients with a painful VCF due to metastatic disease. Conclusions: VP is considered to be a safe and effective treatment option for the treatment of osteoporotic and malignant VCFs that are resistant to adequate medical therapy. Patient selection, preprocedural evaluation, and proper technique execution are the key points to obtain the best outcomes and to minimize complications.
InAs-Based Quantum Cascade Lasers with Extremely Low Threshold
Authors: Kinjalk Kumar , Díaz-Thomas Daniel Andres , Loghmari Zeineb , Bahriz Michael , Teissier Roland , Baranov Alexei N.
Published: October 2022

We report InAs-based quantum cascade lasers (QCLs) operating near 14 µm with a threshold current density Jth as low as 0.6 kA/cm2 at room temperature. The threshold obtained is lower than the Jth of the best reported InP-based QCLs to date without facet treatment. The achieved performance improvement is partially due to an increased separation between the upper transition level and the next one in the active quantum wells of the employed QCL design.
Nonlinear Spectrum Modulation in the Anomalous Dispersion Regime Using Second- and Third-Order Solitons
Authors: De Menezes Thiago D. S. , Tu Chaoran , Besse Valentin , O’Sullivan Maurice , Grigoryan Vladimir S. , Menyuk Curtis R. , Lima Jr. Ivan T.
Published: October 2022

We study the robustness of a nonlinear frequency-division multiplexing (NFDM) system, based on the Zakharov-Shabat spectral problem (ZSSP), that is comprised of two independent quadrature phase-shift keyed (QPSK) channels modulated in the discrete spectrum associated with two distinct eigenvalues. Among the many fiber impairments that may limit this system, we focus on determining the limits due to third-order dispersion, the Raman effect, amplified spontaneous emission (ASE) noise from erbium-doped fiber amplifiers (EDFAs), and fiber losses with lumped gain from EDFAs. We examine the impact of these impairments on a 1600-km system by analyzing the Q-factor calculated from the error vector magnitude (EVM) of the received symbols. We found that the maximum launch power due to these impairments is: 13 dBm due to third-order dispersion, 11 dBm due to the Raman effect, 3 dBm due to fiber losses with lumped gain, and 2 dBm due to these three impairments combined with ASE noise. The maximum launch power due to all these impairments combined is comparable to that of a conventional wavelength-division multiplexing (WDM) system, even though WDM systems can operate over a much larger bandwidth and, consequently, have a much higher data throughput when compared with NFDM systems. We find that fiber losses in practical fiber transmission systems with lumped gain from EDFAs is the most stringent limiting factor in the performance of this NFDM system.
Wellbore Temperature and Pressure Calculation of Offshore Gas Well Based on Gas–Liquid Separated Flow Model
Authors: Jing Jun , Shan Hongbin , Zhu Xiaohua , Huangpu Yixiang , Tian Yang
Published: October 2022

Compared with land wells, the production environment and reservoir depth of offshore oil and gas wells are more complex and shallower. Further, HPHT production fluid there will produce strong temperature and pressure disturbance that affects the wellbore, which easily generates wellbore safety problems, such as wellhead growth and leakage caused by the incompatible deformation of casing and cement sheath. Therefore, obtaining an accurate wellbore temperature and pressure field is the key to implementing a wellbore safety assessment. Based on the gas–liquid two-phase separated method, this paper established an improved calculation model of wellbore temperature and pressure field for offshore HPHT wells. This model also takes into account the heat transfer environment characteristics of “formation-seawater-air” and the influence of well structure. Compared with the measured data of the case well, the error of temperature and pressure calculation results of the improved model are only 0.87% and 2.46%. Further, its calculation accuracy is greatly improved compared to that of the traditional gas–liquid homogeneous flow calculation model. Based on this model, the influencing factors of wellbore temperature and pressure in offshore gas wells are analyzed. The results show that forced convection heat exchange between seawater–air and wellbore is stronger than that between wellbore and formation. Reducing the gas–liquid ratio of the product can effectively reduce wellbore temperature and increase wellbore pressure. The gas production has a significant impact on the wellbore temperature. When the gas production rises from 10 × 104⋅m3/d to 60 × 104⋅m3/d, the wellhead temperature rises from 63 °C to 99 °C. However, due to the mutual influence of friction pressure drop and hydrostatic pressure drop, wellbore pressure increases first and then decreases with the increase in gas production. The improved model can provide a more accurate estimate of the time to reach the rated wellhead temperature. Meanwhile, this model displays accurate theoretical support for the rational formulation of the production plan after the well opening, so as to avoid excessive restrictions on the initial production rate.
Multimodality Imaging Findings in Waterhouse-Friderichsen Syndrome: A Case Report and a Short Literature Review
Authors: Angeli Maria Luigia , Del Ciello Annemilia , Dell’Atti Claudia , Orsini Federico , Piccioni Andrea , Franza Laura , Petrucci Martina , Pirronti Tommaso , Franceschi Francesco , Covino Marcello
Published: October 2022

Waterhouse-Friderichsen syndrome is a rare disease characterized by bleeding into the adrenal glands, and its symptoms may vary from non-specific abdominal pain to multi-organ failure. Commonly related to a variety of infectious diseases among which sepsis from Neisseria meningitidis is the most frequent, many other etiologies have been described, and in some rare cases, even no apparent cause can be identified. We report a rare case of an idiopathic bilateral adrenal hemorrhage in a 70-year-old male who presented to our emergency department with non-specific abdominal pain. Ultrasonography Scan (US) and Computed Tomography (CT) findings were crucial for making an early diagnosis, which resulted in a short hospitalization time and, eventually, a complete recovery of the adrenal function. After discharge, Magnetic Resonance Imaging (MRI) was also performed, providing a more complete ensemble of multimodality imaging findings that can be associated with this rare syndrome.
Key Sustainable Factors of the Pawnbroking Industry: An Empirical Study in Taiwan
Authors: Hung Tzu-Chiao , Lin Chieh-Yu
Published: October 2022

Numerous studies regarding the pawnbroking industry have examined Western or Islamic pawnbroking, but it is difficult to find studies concerning the pawnbrokers themselves or the Taiwanese pawnbroking industry. The current study was conducted to identify the factors of corporate sustainability (CS) in the Taiwanese pawnbroking industry. Questionnaires were completed by experts having more than 20 years of experience in the industry, resulting in a total of five dimensions and 16 factors. Samples were collected from pawnbrokers from different cities in Taiwan. Data were pair-wise compared and analyzed using the Analytic Hierarchy Process (AHP). The results indicate that customer satisfaction is the most significant dimension; capital management also plays a critical role. This study provides a basis for researchers to undertake subsequent studies with more data and suggests that the government should implement proper regulations.
Systems-Oriented Modelling Methods in Preventing and Controlling Emerging Infectious Diseases in the Context of Healthcare Policy: A Scoping Review
Authors: Mansouri Mariam Abdulmonem , Garcia Leandro , Kee Frank , Bradley Declan Terence
Published: October 2022

Background: Emerging infectious diseases (EIDs) arise and affect society in complex ways. We conducted a scoping review to explore how systems-oriented methods have been used to prevent and control EIDs. Methods: We used the Joanna Briggs Institute framework for scoping reviews in this study. We included peer-reviewed articles about health care systems preparedness and response, published from 1 January 2000. We considered the World Health Organisation’s (WHO) list of prioritised diseases for research and development when choosing the pathogens and only included studies that considered the dynamics between the system’s elements. Results: Our initial search yielded 9985 studies. After screening, 177 studies were considered for inclusion in this review. After assessment by two independent reviewers, seven studies were included. The studies were published between 2009 and 2021. Most focused on sarbecoviruses and targeted healthcare policymakers and governments. System dynamics approaches were the most used methods. Most of the studies incorporated the classical epidemiological models alongside systems-oriented methods. The studies were conducted in context of diseases dynamics and its burden on human health, the economy and healthcare systems. The most reported challenge was epidemiological and geographical data timeliness and quality. Conclusions: Systems dynamics approaches can help policy makers understand the elements of a complex system and thus offer potential solutions for preventing and controlling EIDs.