bluuebunny/crossref_metadata_2025 huggingface dataset:
A Solution Procedure Combining Analytical and Numerical Approaches to Investigate a Two-Degree-of-Freedom Vibro-Impact Oscillator
Authors: Herisanu Nicolae , Marinca Vasile
Published: June 2021

In this paper, a new approach is proposed to analyze the behavior of a nonlinear two-degree-of-freedom vibro-impact oscillator subject to a harmonic perturbing force, based on a combination of analytical and numerical approaches. The nonlinear governing equations are analytically solved by means of a new analytical technique, namely the Optimal Auxiliary Functions Method (OAFM), which provided highly accurate explicit analytical solutions. Benefiting from these results, the application of Schur principle made it possible to analyze the stability conditions for the considered system. Various types of possible motions were emphasized, taking into account possible initial conditions and different parameters, and the explicit analytical solutions were found to be very useful to analyze the kinetic energy loss, the contact force, and the stability of periodic motions.
Integrable Deformations and Dynamical Properties of Systems with Constant Population
Authors: Lăzureanu Cristian
Published: June 2021

In this paper we consider systems of three autonomous first-order differential equations x˙=f(x),x=(x,y,z),f=(f1,f2,f3) such that x(t)+y(t)+z(t) is constant for all t. We present some Hamilton–Poisson formulations and integrable deformations. We also analyze the case of Kolmogorov systems. We study from some standard and nonstandard Poisson geometry points of view the three-dimensional Lotka–Volterra system with constant population.
The Extended Log-Logistic Distribution: Inference and Actuarial Applications
Authors: Alfaer Nada M. , Gemeay Ahmed M. , Aljohani Hassan M. , Afify Ahmed Z.
Published: June 2021

Actuaries are interested in modeling actuarial data using loss models that can be adopted to describe risk exposure. This paper introduces a new flexible extension of the log-logistic distribution, called the extended log-logistic (Ex-LL) distribution, to model heavy-tailed insurance losses data. The Ex-LL hazard function exhibits an upside-down bathtub shape, an increasing shape, a J shape, a decreasing shape, and a reversed-J shape. We derived five important risk measures based on the Ex-LL distribution. The Ex-LL parameters were estimated using different estimation methods, and their performances were assessed using simulation results. Finally, the performance of the Ex-LL distribution was explored using two types of real data from the engineering and insurance sciences. The analyzed data illustrated that the Ex-LL distribution provided an adequate fit compared to other competing distributions such as the log-logistic, alpha-power log-logistic, transmuted log-logistic, generalized log-logistic, Marshall–Olkin log-logistic, inverse log-logistic, and Weibull generalized log-logistic distributions.
Three-Way Decisions Based on Q-Rung Orthopair Fuzzy 2-Tuple Linguistic Sets with Generalized Maclaurin Symmetric Mean Operators
Authors: Yang Miin-Shen , Ali Zeeshan , Mahmood Tahir
Published: June 2021

As a typical model of three-way decisions (3WD), decision-theoretic rough sets (DTRS), have gained attention from scholars in decision-making problems. The q-rung orthopair fuzzy 2-tuple linguistic variable (QROF2-TLV) is a mixture of two different notions, q-rung orthopair fuzzy sets (QROFS) and 2-tuple linguistic variables (2-TLV), and is an extensive and proficient technique for coping with awkward and complicated information in realistic decision-making. In this paper, we first propose a DTRS model for 3WD based on QROF2-TLV that gives a new method for evaluating loss functions (LF) of DTRS. We further present the q-rung orthopair fuzzy 2-tuple linguistic generalized Maclaurin symmetric mean (QROF2-TLGMSM) and weighted QROF2-TLGMSM operators and then provide the LFs of DTRS based on QROF2-TLV with the values aggregated by the QROF2-TLGMSM operator. Thus, we propose the q-rung orthopair fuzzy 2-tuple linguistic variable DTRS (QROF2-TLV-DTRS) model. Subsequently, a technique for concluding another DTRS model, which can give the related semantic translation of the decision consequences of every other option, is presented. The model is applied to expound the proposed technique in detail, and the impacts of various conditional probabilities on decision outcomes are discussed. A comparative analysis of the proposed approach is also conducted to examine the proficiency of the proposed method.
Cognition, Statins, and Cholesterol in Elderly Ischemic Stroke Patients: A Neurologist’s Perspective
Authors: Jurcau Anamaria , Simion Aurel
Published: June 2021

Background and Objectives: The efficacy of hydroxy methyl glutaryl-coenzyme A reductase inhibitors (statins) in reducing the incidence of cardiovascular events pushed the target LDL-cholesterol (LDL-C) levels lower and lower in successive guidelines despite signals regarding potential cognitive side effects. We evaluated the relationship between cognitive impairment and LDL-C levels in elderly ischemic stroke patients. Materials and Methods: 29 ischemic stroke patients aged 65 and above with LDL-C levels ≤70 mg/dL, classified according to the TOAST criteria, underwent detailed neuropsychological testing comprising the MMSE test, Montreal Cognitive Assessment (MoCA) and Addenbrooke’s Cognitive Evaluation (ACE-III) test. Their performances were compared to those of 29 age-matched ischemic stroke patients with LDL-Cl levels >71 mg/dL. Results: The MMSE test failed to detect significant cognitive differences between the two groups. The MoCA and ACE-III tests detected impairments in visuo-spatial/executive function, attention, and recall/memory in patients with low LDL-C. A stepwise linear regression model of the ACE-III total scores revealed that LDL-cholesterol levels could contribute to 13.8% of the detected cognitive dysfunction, second in importance only to age, which contributed to 38.8% of the detected impairment. Conclusions: Physicians should be cautious when prescribing statins to elderly people. Hydrophilic ones may be preferred in cognitively impaired patients.
The Impact of Personal Thoracic Impedance on Electrical Cardioversion in Patients with Atrial Arrhythmias
Authors: Roh Seung-Young , Ahn Jinhee , Lee Kwang-No , Baek Yong-Soo , Kim Dong-Hyeok , Lee Dae-In , Shim Jaemin , Choi Jong-Il , Kim Young-Hoon
Published: June 2021

Background and Objectives: Direct current cardioversion (DCCV) is a safe and useful treatment for atrial tachyarrhythmias. In the past, the energy delivered in DCCV was decided upon empirically, based only on the type of tachyarrhythmia. This conventional method does not consider individual factors and may lead to unnecessary electrical damage. Materials and Methods: We performed DCCV in patients with atrial tachyarrhythmias. The impedance and electrical current at the moment of shock were measured. The human thoracic impedance between both defibrillator patches and the electric current that was used were measured. Results: A total of 683 DCCVs were performed on 466 atrial tachyarrhythmia patients. The average impedance was 64 ± 11 Ω and the average successful current was 23 ± 6 mA. The magnitude of the electrical current that was successful depended upon the human impedance (linear regression, B = −0.266, p < 0.001) and the left atrial diameter (B = 0.092, p < 0.001). Impedance was directly proportional to body mass index (BMI) (B = 1.598, p < 0.001) and was higher in females than in males (77 ± 15 Ω vs. 63 ± 11 Ω, p < 0.001). Notably, the high-impedance (>70 Ω) group had a higher BMI (27 ± 4 kg/m2 vs. 25 ± 3 kg/m2, p < 0.001) and a higher proportion of females (37% vs. 9%, p < 0.001) than the low-impedance group (<70 Ω). However, thoracic impedance was not an independent predictor for successful DCCV. Conclusions: Human thoracic impedance was one of the factors that impacted the level of electrical current required for successful DCCV in patients with atrial arrhythmias. In the future, it will be helpful to consider individual predictors, such as BMI and gender, to minimize electrical damage during DCCV.
Electroconvulsive Therapy (ECT) in Bipolar Disorder Patients with Ultra-Rapid Cycling and Unstable Mixed States
Authors: Mosolov Sergey , Born Christoph , Grunze Heinz
Published: June 2021

Background and Objectives: Unstable mixed episodes or rapid switching between opposite affective poles within the scope of short cycles was first characterized in 1967 by S. Mentzos as complex polymorphous states with chaotic overlap of manic and depressive symptoms. Well-known examples include antidepressant-induced mania/hypomania and rapid/ultra-rapid/ultradian cycling, when clinicians observe an almost continuous mixed state with a constant change of preponderance of manic or depressive symptoms. Achieving stable remission in these cases is challenging with almost no data on evidence-based treatment. When mood stabilizers are ineffective, electroconvulsive therapy (ECT) has been suggested. Objectives: After reviewing the evidence from available literature, this article presents our own clinical experience of ECT efficacy and tolerability in patients with ultra-rapid cycling bipolar disorder (BD) and unstable mixed states. Materials and Methods: We conducted an open, one-year observational prospective study with a “mirror image” design, including 30 patients with rapid and ultra-rapid cycling BD on long-term mood stabilizer treatment (18 received lithium carbonate, 6 on valproate and 6 on carbamazepine) with limited effectiveness. A bilateral ECT course (5–10 sessions) was prescribed for regaining mood stability. Results: ECT was very effective in 12 patients (40%) with a history of ineffective mood stabilizer treatment who achieved and maintained remission; all of them received lithium except for 1 patient who received carbamazepine and 2 with valproate. Nine patients (30%) showed partial response (one on carbamazepine and two on valproate) and nine patients (30%) had no improvement at all (four on carbamazepine and two on valproate). For the whole sample, the duration of affective episodes was significantly reduced from 36.05 ± 4.32 weeks in the year prior to ECT to 21.74 ± 12.14 weeks in the year post-ECT (p < 0.001). Depressive episodes with mixed and/or catatonic features according to DSM-5 specifiers were associated with a better acute ECT response and/or long-term mood stabilizer treatment outcome after ECT. Conclusions: ECT could be considered as a useful option for getting mood instability under control in rapid and ultra-rapid cycling bipolar patients. Further randomized trials are needed to confirm these results.
Improving the Performance of Composite Hollow Fiber Membranes with Magnetic Field Generated Convection Application on pH Correction
Authors: Nechifor Aurelia Cristina , Goran Alexandru , Grosu Vlad-Alexandru , Bungău Constantin , Albu Paul Constantin , Grosu Alexandra Raluca , Oprea Ovidiu , Păncescu Florentina Mihaela , Nechifor Gheorghe
Published: June 2021

The membranes and membrane processes have succeeded in the transition from major technological and biomedical applications to domestic applications: water recycling in washing machines, recycling of used cooking oil, recovery of gasoline vapors in the pumping stations or enrichment of air with oxygen. In this paper, the neutralization of condensation water and the retention of aluminum from thermal power plants is studied using ethylene propylene diene monomer sulfonated (EPDM-S) membranes containing magnetic particles impregnated in a microporous propylene hollow fiber (I-PPM) matrix. The obtained membranes were characterized from the morphological and structural points of view, using scanning electron microscopy (SEM), high resolution SEM (HR-SEM), energy dispersive spectroscopy analysis (EDAX) and thermal gravimetric analyzer. The process performances (flow, selectivity) were studied using a variable magnetic field generated by electric coils. The results show the possibility of correcting the pH and removing aluminum ions from the condensation water of heating plants, during a winter period, without the intervention of any operator for the maintenance of the process. The pH was raised from an acidic one (2–4), to a slightly basic one (8–8.5), and the concentration of aluminum ions was lowered to the level allowed for discharge. Magnetic convection of the permeation module improves the pH correction process, but especially prevents the deposition of aluminum hydroxide on hollow fibers membranes.
Association of Alpha-Crystallin with Fiber Cell Plasma Membrane of the Eye Lens Accompanied by Light Scattering and Cataract Formation
Authors: Timsina Raju , Mainali Laxman
Published: June 2021

α-crystallin is a major protein found in the mammalian eye lens that works as a molecular chaperone by preventing the aggregation of proteins and providing tolerance to stress in the eye lens. These functions of α-crystallin are significant for maintaining lens transparency. However, with age and cataract formation, the concentration of α-crystallin in the eye lens cytoplasm decreases with a corresponding increase in the membrane-bound α-crystallin, accompanied by increased light scattering. The purpose of this review is to summarize previous and recent findings of the role of the: (1) lens membrane components, i.e., the major phospholipids (PLs) and sphingolipids, cholesterol (Chol), cholesterol bilayer domains (CBDs), and the integral membrane proteins aquaporin-0 (AQP0; formally MIP26) and connexins, and (2) α-crystallin mutations and post-translational modifications (PTMs) in the association of α-crystallin to the eye lens’s fiber cell plasma membrane, providing thorough insights into a molecular basis of such an association. Furthermore, this review highlights the current knowledge and need for further studies to understand the fundamental molecular processes involved in the association of α-crystallin to the lens membrane, potentially leading to new avenues for preventing cataract formation and progression.
Metallurgical Modelling of Ti-6Al-4V for Welding Applications
Authors: Villa Matteo , Brooks Jeffery W. , Turner Richard , Boitout Frédéric , Ward Robin Mark
Published: June 2021

Manufacturing processes such as welding subject the α/β titanium alloy Ti-6Al-4V to a wide range of temperatures and temperature rates, generating microstructure variations in the phases and in the precipitate dimensions. In this study, the metallurgical and numerical modelling of Ti-6Al-4V when subjected to a high energy density welding process was affected by a series of analytical equations coded in Sysweld commercial specialist FE welding software. Numerical predictions were compared with experimental results from laser welding tests on plates with different thicknesses, initial microstructural morphologies, and operating conditions. The evolution of the microstructure was described by using a diffusion-based approach when the material was operating in the α + β field, whilst empirical equations were used for temperatures above the β-transus temperature. Predictions made by the subroutines within the FE model were shown to match with reasonable trends when validated using experimental characterisation methods for various metallurgical features, including the α particle size, β grain size, martensitic needle thickness, and relative phase volume fractions.
Agronomic and Metabolomic Side-Effects of a Divergent Selection for Indol-3-Ylmethylglucosinolate Content in Kale (Brassica oleracea var. acephala)
Authors: Poveda Jorge , Velasco Pablo , de Haro Antonio , Johansen Tor J. , McAlvay Alex C. , Möllers Christian , Mølmann Jørgen A.B. , Ordiales Elena , Rodríguez Víctor M.
Published: June 2021

Brassica oleracea var. acephala (kale) is a cruciferous vegetable widely cultivated for its leaves and flower buds in Europe and a food of global interest as a “superfood”. Brassica crops accumulate phytochemicals called glucosinolates (GSLs) which play an important role in plant defense against biotic stresses. Studies carried out to date suggest that GSLs may have a role in the adaptation of plants to different environments, but direct evidence is lacking. We grew two kale populations divergently selected for high and low indol-3-ylmethylGSL (IM) content (H-IM and L-IM, respectively) in different environments and analyzed agronomic parameters, GSL profiles and metabolomic profile. We found a significant increase in fresh and dry foliar weight in H-IM kale populations compared to L-IM in addition to a greater accumulation of total GSLs, indole GSLs and, specifically, IM and 1-methoxyindol-3-ylmethylGSL (1MeOIM). Metabolomic analysis revealed a significant different concentration of 44 metabolites in H-IM kale populations compared to L-IM. According to tentative peak identification from MS interpretation, 80% were phenolics, including flavonoids (kaempferol, quercetin and anthocyanin derivates, including acyl flavonoids), chlorogenic acids (esters of hydroxycinnamic acids and quinic acid), hydroxycinnamic acids (ferulic acid and p-coumaric acid) and coumarins. H-IM kale populations could be more tolerant to diverse environmental conditions, possibly due to GSLs and the associated metabolites with predicted antioxidant potential.
Hyperpolarized Metabolic MRI—Acquisition, Reconstruction, and Analysis Methods
Authors: Larson Peder Eric Zufall , Gordon Jeremy W.
Published: June 2021

Hyperpolarized metabolic MRI with 13C-labeled agents has emerged as a powerful technique for in vivo assessments of real-time metabolism that can be used across scales of cells, tissue slices, animal models, and human subjects. Hyperpolarized contrast agents have unique properties compared to conventional MRI scanning and MRI contrast agents that require specialized imaging methods. Hyperpolarized contrast agents have a limited amount of available signal, irreversible decay back to thermal equilibrium, bolus injection and perfusion kinetics, cellular uptake and metabolic conversion kinetics, and frequency shifts between metabolites. This article describes state-of-the-art methods for hyperpolarized metabolic MRI, summarizing data acquisition, reconstruction, and analysis methods in order to guide the design and execution of studies.
Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors
Authors: Flynn Noah R. , Ward Michael D. , Schleiff Mary A. , Laurin Corentine M. C. , Farmer Rohit , Conway Stuart J. , Boysen Gunnar , Swamidass S. Joshua , Miller Grover P.
Published: June 2021

The 3,5-dimethylisoxazole motif has become a useful and popular acetyl-lysine mimic employed in isoxazole-containing bromodomain and extra-terminal (BET) inhibitors but may introduce the potential for bioactivations into toxic reactive metabolites. As a test, we coupled deep neural models for quinone formation, metabolite structures, and biomolecule reactivity to predict bioactivation pathways for 32 BET inhibitors and validate the bioactivation of select inhibitors experimentally. Based on model predictions, inhibitors were more likely to undergo bioactivation than reported non-bioactivated molecules containing isoxazoles. The model outputs varied with substituents indicating the ability to scale their impact on bioactivation. We selected OXFBD02, OXFBD04, and I-BET151 for more in-depth analysis. OXFBD’s bioactivations were evenly split between traditional quinones and novel extended quinone-methides involving the isoxazole yet strongly favored the latter quinones. Subsequent experimental studies confirmed the formation of both types of quinones for OXFBD molecules, yet traditional quinones were the dominant reactive metabolites. Modeled I-BET151 bioactivations led to extended quinone-methides, which were not verified experimentally. The differences in observed and predicted bioactivations reflected the need to improve overall bioactivation scaling. Nevertheless, our coupled modeling approach predicted BET inhibitor bioactivations including novel extended quinone methides, and we experimentally verified those pathways highlighting potential concerns for toxicity in the development of these new drug leads.
Advanced Flexible Skin-Like Pressure and Strain Sensors for Human Health Monitoring
Authors: Liu Xu , Wei Yuan , Qiu Yuanying
Published: June 2021

Recently, owing to their excellent flexibility and adaptability, skin-like pressure and strain sensors integrated with the human body have the potential for great prospects in healthcare. This review mainly focuses on the representative advances of the flexible pressure and strain sensors for health monitoring in recent years. The review consists of five sections. Firstly, we give a brief introduction of flexible skin-like sensors and their primary demands, and we comprehensively outline the two categories of design strategies for flexible sensors. Secondly, combining the typical sensor structures and their applications in human body monitoring, we summarize the recent development of flexible pressure sensors based on perceptual mechanism, the sensing component, elastic substrate, sensitivity and detection range. Thirdly, the main structure principles and performance characteristic parameters of noteworthy flexible strain sensors are summed up, namely the sensing mechanism, sensitive element, substrate, gauge factor, stretchability, and representative applications for human monitoring. Furthermore, the representations of flexible sensors with the favorable biocompatibility and self-driven properties are introduced. Finally, in conclusion, besides continuously researching how to enhance the flexibility and sensitivity of flexible sensors, their biocompatibility, versatility and durability should also be given sufficient attention, especially for implantable bioelectronics. In addition, the discussion emphasizes the challenges and opportunities of the above highlighted characteristics of novel flexible skin-like sensors.
Nonlinear Mixing Characteristics of Reflectance Spectra of Typical Mineral Pigments
Authors: Lyu Shuqiang , Meng Die , Hou Miaole , Tian Shuai , Huang Chunhao , Mao Jincheng
Published: June 2021

Hyperspectral technology has been used to identify pigments that adhere to the surfaces of polychrome artifacts. However, the colors are often produced by the mixing of pigments, which requires that the spectral characteristics of the pigment mixtures be considered before pigment unmixing is conducted. Therefore, we proposed an experimental approach to investigate the nonlinear degree of spectral reflectance, using several mixing models, and to evaluate their performances in the study of typical mineral pigments. First, five mineral pigments of azurite, malachite, cinnabar, orpiment, and calcite were selected to form five groups of samples, according to their different mass ratios. Second, a fully constrained least squares algorithm based on the linear model and three algorithms based on the nonlinear model were employed to calculate the proportion of each pigment in the mixtures. We evaluated the abundance accuracy as well as the similarity between the measured and reconstructed spectra produced by those mixing models. Third, we conducted pigment unmixing on a Chinese painting to verify the applicability of the nonlinear model. Fourth, continuum removal was also introduced to test the nonlinearity of mineral pigment mixing. Finally, the results indicated that the spectral mixing of different mineral pigments was more in line with the nonlinear mixing model. The spectral nonlinearity of mixed pigments was higher near to the wavelength corresponding to their colors. Meanwhile, the nonlinearity increased with the wavelength increases in the shortwave infrared bands.
In Vitro Effects of Sulforaphane on Interferon-Driven Inflammation and Exploratory Evaluation in Two Healthy Volunteers
Authors: Genova Elena , Apollonio Maura , Decorti Giuliana , Tesser Alessandra , Tommasini Alberto , Stocco Gabriele
Published: June 2021

Interferonopathies are rare genetic conditions defined by systemic inflammatory episodes caused by innate immune system activation in the absence of pathogens. Currently, no targeted drugs are authorized for clinical use in these diseases. In this work, we studied the contribution of sulforaphane (SFN), a cruciferous-derived bioactive molecule, in the modulation of interferon-driven inflammation in an immortalized human hepatocytes (IHH) line and in two healthy volunteers, focusing on STING, a key-component player in interferon pathway, interferon signature modulation, and GSTM1 expression and genotype, which contributes to SFN metabolism and excretion. In vitro, SFN exposure reduced STING expression as well as interferon signature in the presence of the pro-inflammatory stimulus cGAMP (cGAMP 3 h vs. SFN+cGAMP 3 h p value < 0.0001; cGAMP 6 h vs. SFN+cGAMP 6 h p < 0.001, one way ANOVA), restoring STING expression to the level of unstimulated cells. In preliminary experiments on healthy volunteers, no appreciable variations in interferon signature were identified after SFN assumption, while only in one of them, presenting the GSTM1 wild type genotype related to reduced SFN excretion, could a downregulation of STING be recorded. This study confirmed that SFN inhibits STING-mediated inflammation and interferon-stimulated genes expression in vitro. However, only a trend towards the downregulation of STING could be reproduced in vivo. Results obtained have to be confirmed in a larger group of healthy individuals and in patients with type I interferonopathies to define if the assumption of SFN could be useful as supportive therapy.
Evaluating the Antioxidants, Whitening and Antiaging Properties of Rice Protein Hydrolysates
Authors: Chen Hui-Ju , Dai Fan-Jhen , Chen Cheng-You , Fan Siao-Ling , Zheng Ji-Hong , Huang Yu-Chun , Chau Chi-Fai , Lin Yung-Sheng , Chen Chin-Shuh
Published: June 2021

Plant-derived protein hydrolysates have potential applications in nutrition. Rice protein hydrolysates (RPHs), an excellent source of proteins, have attracted attention for the development of cosmeceuticals. However, few studies have reported the potential application of RPH in analysis, and this study examined their antioxidant activities and the inhibitory activities of skin aging enzymes. The results indicated that the total phenolic and flavonoid concentrations were 2.06 ± 0.13 mg gallic acid equivalent/g RPHs and 25.96 ± 0.52 µg quercetin equivalent/g RPHs, respectively. RPHs demonstrated dose-dependent activity for scavenging free radicals from 1,1-diphenyl-2-picrylhydrazyl [half-maximal inhibitory concentration (IC50) = 42.58 ± 2.1 mg/g RPHs] and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (IC50 = 2.11 ± 0.88 mg/g RPHs), dose-dependent reduction capacity (6.95 ± 1.40 mg vitamin C equivalent/g RPHs) and oxygen radical absorbance capacity (473 µmol Trolox equivalent/g RPHs). The concentrations of the RPH solution required to achieve 50% inhibition of hyaluronidase and tyrosinase activities were determined to be 8.91 and 107.6 mg/mL, respectively. This study demonstrated that RPHs have antioxidant, antihyaluronidase, and antityrosinase activities for future cosmetic applications.
Selenium Nanomaterials to Combat Antimicrobial Resistance
Authors: Truong Linh B. , Medina-Cruz David , Mostafavi Ebrahim , Rabiee Navid
Published: June 2021

The rise of antimicrobial resistance to antibiotics (AMR) as a healthcare crisis has led to a tremendous social and economic impact, whose damage poses a significant threat to future generations. Current treatments either are less effective or result in further acquired resistance. At the same time, several new antimicrobial discovery approaches are expensive, slow, and relatively poorly equipped for translation into the clinical world. Therefore, the use of nanomaterials is presented as a suitable solution. In particular, this review discusses selenium nanoparticles (SeNPs) as one of the most promising therapeutic agents based in the nanoscale to treat infections effectively. This work summarizes the latest advances in the synthesis of SeNPs and their progress as antimicrobial agents using traditional and biogenic approaches. While physiochemical methods produce consistent nanostructures, along with shortened processing procedures and potential for functionalization of designs, green or biogenic synthesis represents a quick, inexpensive, efficient, and eco-friendly approach with more promise for tunability and versatility. In the end, the clinical translation of SeNPs faces various obstacles, including uncertain in vivo safety profiles and mechanisms of action and unclear regulatory frameworks. Nonetheless, the promise possessed by these metalloid nanostructures, along with other nanoparticles in treating bacterial infections and slowing down the AMR crisis, are worth exploring.
Rapid Gas Hydrate Formation—Evaluation of Three Reactor Concepts and Feasibility Study
Authors: Filarsky Florian , Wieser Julian , Schultz Heyko Juergen
Published: June 2021

Gas hydrates show great potential with regard to various technical applications, such as gas conditioning, separation and storage. Hence, there has been an increased interest in applied gas hydrate research worldwide in recent years. This paper describes the development of an energetically promising, highly attractive rapid gas hydrate production process that enables the instantaneous conditioning and storage of gases in the form of solid hydrates, as an alternative to costly established processes, such as, for example, cryogenic demethanization. In the first step of the investigations, three different reactor concepts for rapid hydrate formation were evaluated. It could be shown that coupled spraying with stirring provided the fastest hydrate formation and highest gas uptakes in the hydrate phase. In the second step, extensive experimental series were executed, using various different gas compositions on the example of synthetic natural gas mixtures containing methane, ethane and propane. Methane is eliminated from the gas phase and stored in gas hydrates. The experiments were conducted under moderate conditions (8 bar(g), 9–14 °C), using tetrahydrofuran as a thermodynamic promoter in a stoichiometric concentration of 5.56 mole%. High storage capacities, formation rates and separation efficiencies were achieved at moderate operation conditions supported by rough economic considerations, successfully showing the feasibility of this innovative concept. An adapted McCabe-Thiele diagram was created to approximately determine the necessary theoretical separation stage numbers for high purity gas separation requirements.
Modelling and Optimization of Ultrasound-Assisted Extraction of Phenolic Compounds from Black Quinoa by Response Surface Methodology
Authors: Melini Valentina , Melini Francesca
Published: June 2021

Phenolic compounds are currently the most investigated class of functional components in quinoa. However, great variability in their content emerged, because of differences in sample intrinsic and extrinsic characteristics; processing-induced factors; as well as extraction procedures applied. This study aimed to optimize phenolic compound extraction conditions in black quinoa seeds by Response Surface Methodology. An ultrasound-assisted extraction was performed with two different mixtures; and the effect of time; temperature; and sample-to-solvent ratio on total phenolic content (TPC) was investigated. Data were fitted to a second-order polynomial model. Multiple regression analysis and analysis of variance were used to determine the fitness of the model and optimal conditions for TPC. Three-dimensional surface plots were generated from the mathematical models. TPC at optimal conditions was 280.25 ± 3.94 mg of Gallic Acid Equivalent (GAE) 100 g−1 dm upon extraction with aqueous methanol/acetone, and 236.37 ± 5.26 mg GAE 100 g−1 dm with aqueous ethanol mixture. The phenolic profile of extracts obtained at optimal conditions was also investigated by HPLC. The two extracting procedures did not show different specificities for phenolic compounds but differed in the extraction yield.
Density Functional Theory and Molecular Docking Investigations of the Chemical and Antibacterial Activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one
Authors: Deghady Ahmed M. , Hussein Rageh K. , Alhamzani Abdulrahman G. , Mera Abeer
Published: June 2021

The present investigation informs a descriptive study of 1-(4-Hydroxyphenyl) -3-phenylprop-2-en-1-one compound, by using density functional theory at B3LYP method with 6-311G** basis set. The oxygen atoms and π-system revealed a high chemical reactivity for the title compound as electron donor spots and active sites for an electrophilic attack. Quantum chemical parameters such as hardness (η), softness (S), electronegativity (χ), and electrophilicity (ω) were yielded as descriptors for the molecule’s chemical behavior. The optimized molecular structure was obtained, and the experimental data were matched with geometrical analysis values describing the molecule’s stable structure. The computed FT-IR and Raman vibrational frequencies were in good agreement with those observed experimentally. In a molecular docking study, the inhibitory potential of the studied molecule was evaluated against the penicillin-binding proteins of Staphylococcus aureus bacteria. The carbonyl group in the molecule was shown to play a significant role in antibacterial activity, four bonds were formed by the carbonyl group with the key protein of the bacteria (three favorable hydrogen bonds plus one van der Waals bond) out of six interactions. The strong antibacterial activity was also indicated by the calculated high binding energy (−7.40 kcal/mol).
Isoflavonoid-Antibiotic Thin Films Fabricated by MAPLE with Improved Resistance to Microbial Colonization
Authors: Grumezescu Valentina , Negut Irina , Cristescu Rodica , Grumezescu Alexandru Mihai , Holban Alina Maria , Iordache Florin , Chifiriuc Mariana Carmen , Narayan Roger J. , Chrisey Douglas B.
Published: June 2021

Staphylococcus aureus (Gram-positive) and Pseudomonas aeruginosa (Gram-negative) bacteria represent major infectious threats in the hospital environment due to their wide distribution, opportunistic behavior, and increasing antibiotic resistance. This study reports on the deposition of polyvinylpyrrolidone/antibiotic/isoflavonoid thin films by the matrix-assisted pulsed laser evaporation (MAPLE) method as anti-adhesion barrier coatings, on biomedical surfaces for improved resistance to microbial colonization. The thin films were characterized by Fourier transform infrared spectroscopy, infrared microscopy, and scanning electron microscopy. In vitro biological assay tests were performed to evaluate the influence of the thin films on the development of biofilms formed by Gram-positive and Gram-negative bacterial strains. In vitro biocompatibility tests were assessed on human endothelial cells examined for up to five days of incubation, via qualitative and quantitative methods. The results of this study revealed that the laser-fabricated coatings are biocompatible and resistant to microbial colonization and biofilm formation, making them successful candidates for biomedical devices and contact surfaces that would otherwise be amenable to contact transmission.
Synthesis and Structure of the Bis- and Tris-Polyhedral Hybrid Carboranoclathrochelates with Functionalizing Biorelevant Substituents—The Derivatives of Propargylamine Iron(II) Clathrochelates with Terminal Triple C≡C Bond(s)
Authors: Zelinskii Genrikh E. , Limarev Ilya P. , Vologzhanina Anna V. , Olshevskaya Valentina A. , Makarenkov Anton V. , Dorovatovskii Pavel V. , Chuprin Alexander S. , Vershinin Mikhail A. , Dudkin Semyon V. , Voloshin Yan Z.
Published: June 2021

A synthetic strategy for obtaining structurally flexible hybrid iron(II) carboranoclatrochelates functionalized with biorelevant groups, based on a combination of a 1,3-dipolar cycloaddition reaction with nucleophilic substitution of an appropriate chloroclathrochelate precursor, was developed. In its first stage, a stepwise substitution of the dichloroclathrochelate precursor with amine N-nucleophiles of different natures in various solvents was performed. One of its two chlorine atoms with morpholine or diethylamine in dichloromethane gave reactive monohalogenoclathrochelate complexes functionalized with abiorelevant substituents. Further nucleophilic substitution of their remaining chlorine atoms with propargylamine in DMF led to morpholine- and diethylamine-functionalized monopropargylamine cage complexes, the molecules of which contain the single terminal C≡C bond. Their “click” 1,3-cycloaddition reactions in toluene with ortho-carborane-(1)-methylazide catalyzed by copper(II) acetate gave spacer-containing di- and tritopic iron(II) carboranoclatrochelates formed by a covalent linking between their different polyhedral(cage) fragments. The obtained complexes were characterized using elemental analysis, MALDI-TOF mass, UV-Vis, 1H, 1H{11B}, 11B, 11B{1H}, 19F{1H} and 13C{1H}-NMR spectra, and by a single crystal synchrotron X-ray diffraction experiment for the diethylamine-functionalized iron(II) carboranoclathrochelate. Its encapsulated iron(II) ion is situated almost in the center of the FeN6-coordination polyhedron possessing a geometry intermediate between a trigonal prism and a trigonal antiprism with a distortion angle φ of approximately 28°. Conformation of this hybrid molecule is strongly affected by its intramolecular dihydrogen bonding: a flexibility of the carborane-terminated ribbed substituent allowed the formation of numerous C–H…H–B intramolecular interactions. The H(C) atom of this carborane core also forms the intermolecular C–H…F–B interaction with an adjacent carboranoclathrochelate molecule. The N–H…N intermolecular interaction between the diethylamine group of one hybrid molecule and the heterocyclic five-membered 1H-[1,2,3]-triazolyl fragment of the second molecule of this type caused formation of H-bonded carboranoclathrochelate dimers in the X-rayed crystal.
Synergistic Effects of Fe2O3 Nanotube/Polyaniline Composites for an Electrochemical Supercapacitor with Enhanced Capacitance
Authors: Azimov Farkhod , Kim Jihee , Choi Seong Min , Jung Hyun Min
Published: June 2021

α-Fe2O3, which is an attractive material for supercapacitor electrodes, has been studied to address the issue of low capacitance through structural development and complexation to maximize the use of surface pseudocapacitance. In this study, the limited performance of α-Fe2O3 was greatly improved by optimizing the nanotube structure of α-Fe2O3 and its combination with polyaniline (PANI). α-Fe2O3 nanotubes (α-NT) were fabricated in a form in which the thickness and inner diameter of the tube were controlled by Fe(CO)5 vapor deposition using anodized aluminum oxide as a template. PANI was combined with the prepared α-NT in two forms: PANI@α-NT-a enclosed inside and outside with PANI and PANI@α-NT-b containing PANI only on the inside. In contrast to α-NT, which showed a very low specific capacitance, these two composites showed significantly improved capacitances of 185 Fg−1 for PANI@α-NT-a and 62 Fg−1 for PANI@α-NT-b. In the electrochemical impedance spectroscopy analysis, it was observed that the resistance of charge transfer was minimized in PANI@α-NT-a, and the pseudocapacitance on the entire surface of the α-Fe2O3 nanotubes was utilized with high efficiency through binding and conductivity improvements by PANI. PANI@α-NT-a exhibited a capacitance retention of 36% even when the current density was increased 10-fold, and showed excellent stability of 90.1% over 3000 charge–discharge cycles. This approach of incorporating conducting polymers through well-controlled nanostructures suggests a solution to overcome the limitations of α-Fe2O3 electrode materials and improve performance.
Graphene Oxide Electroreduced onto Boron-Doped Diamond and Electrodecorated with Silver (Ag/GO/BDD) Electrode for Tetracycline Detection in Aqueous Solution
Authors: Negrea Sorina , Diaconu Lidia Ani , Nicorescu Valeria , Motoc (m. Ilies) Sorina , Orha Corina , Manea Florica
Published: June 2021

A new electrochemical sensor designed by modifying the commercial boron-doped diamond (BDD) electrode with graphene oxide (GO) reduced electrochemically and further electrodecorated with silver (Ag), named the Ag/GO/BDD electrode, was selected among a series of the BDD, GOelectroreduced onto BDD (GO/BDD) and silver electrodeposited onto BDD (Ag/BDD) electrodes for the detection of tetracycline (TC) in aqueous solution. The best results regarding the sensitivity of 46.6 µA·µM−1·cm−2 and the lowest limit of detection of 5 nM was achieved using square-wave voltammetry (SWV) operated at the step potential of 5 mV, modulation amplitude of 200 mV and the frequency of 10 Hz in alkaline medium. The application of the alkaline supporting electrolyte-based procedure is limited for water monitoring due to the presence of chloride that interferes with TC detection; however, it can be applied for quantitative determination of pharmaceutical formulations. 0.1 M Na2SO4 supporting electrolyte eliminated chloride interference and can be used for the application of Ag/GO/BDD in practical detection of TC in water.
Primary Prevention of Food Allergy—Environmental Protection beyond Diet
Authors: Sikorska-Szaflik Hanna , Sozańska Barbara
Published: June 2021

A food allergy is a potentially life-threatening disease with a genetic and environmental background. As its prevalence has increased significantly in recent years, the need for its effective prevention has been emphasized. The role of diet modifications and nutrients in food allergy reduction has been extensively studied. Much less is known about the role of other environmental factors, which can influence the incidence of this disease. Changes in neonates gut microbiome by delivery mode, animal contact, inhalant allergens, oral and then cutaneous allergen exposure, air pollution, smoking, infections and vaccinations can be the potential modifiers of food allergy development. There is some data about their role as the risk or preventive factors, but yet the results are not entirely consistent. In this paper we present the current knowledge about their possible role in primary prevention of food allergies. We discuss the mechanisms of action, difficulties in designing accurate studies about food allergy and the potential biases in interpreting the connection between environmental factors and food allergy prevention. A better understanding of the role of environmental factors in food allergies development may help in implementing practical solutions for food allergy primary prevention in the future.
Impact of Mediterranean Diet on Chronic Non-Communicable Diseases and Longevity
Authors: Dominguez Ligia J. , Di Bella Giovanna , Veronese Nicola , Barbagallo Mario
Published: June 2021

The average life expectancy of the world population has increased remarkably in the past 150 years and it is still increasing. A long life is a dream of humans since the beginning of time but also a dream is to live it in good physical and mental condition. Nutrition research has focused on recent decades more on food combination patterns than on individual foods/nutrients due to the possible synergistic/antagonistic effects of the components in a dietary model. Various dietary patterns have been associated with health benefits, but the largest body of evidence in the literature is attributable to the traditional dietary habits and lifestyle followed by populations from the Mediterranean region. After the Seven Countries Study, many prospective observational studies and trials in diverse populations reinforced the beneficial effects associated with a higher adherence to the Mediterranean diet in reference to the prevention/management of age-associated non-communicable diseases, such as cardiovascular and metabolic diseases, neurodegenerative diseases, cancer, depression, respiratory diseases, and fragility fractures. In addition, the Mediterranean diet is ecologically sustainable. Therefore, this immaterial world heritage constitutes a healthy way of eating and living respecting the environment.
Current Status of Rabies and Its Eradication in Eastern and Southeastern Europe
Authors: Lojkić Ivana , Šimić Ivana , Bedeković Tomislav , Krešić Nina
Published: June 2021

The objective of this paper is to provide an overview of the current status of rabies in Europe, with special emphasis on Croatia and Southeast and East Europe. Due to the systematic implementation of a rabies eradication program by oral vaccination of wild animals, by the end of the 20th century, most West and Central European countries were rabies-free. The EU goal was to eradicate rabies in wildlife and domestic animals by 2020. No matter how achievable the goal seemed to be, the disease is still present in the eastern part of the EU, as was notified in 2020 by two member states—Poland and Romania. Croatia has been rabies-free for the last seven years but given that it borders a non-EU country in which a case of rabies was confirmed in 2020, it will continue to contribute to the maintenance of the rabies-free region. A rabies-free EU can only be achieved by continuous oral vaccination, coordination and a regional approach. The prevention of reintroductions from bordering countries in which rabies has not been eradicated yet, and the support for the eradication efforts made by these countries, are goals still pending.
Pathogenesis of Two Western Mediterranean West Nile Virus Lineage 1 Isolates in Experimentally Infected Red-Legged Partridges (Alectoris rufa)
Authors: Gamino Virginia , Pérez-Ramírez Elisa , Gutiérrez-Guzmán Ana Valeria , Sotelo Elena , Llorente Francisco , Jiménez-Clavero Miguel Ángel , Höfle Ursula
Published: June 2021

West Nile virus (WNV) is the most widespread flavivirus in the world with a wide vertebrate host range. Its geographic expansion and activity continue to increase with important human and equine outbreaks and local bird mortality. In a previous experiment, we demonstrated the susceptibility of 7-week-old red-legged partridges (Alectoris rufa) to Mediterranean WNV isolates Morocco/2003 and Spain/2007, which varied in virulence for this gallinaceous species. Here we study the pathogenesis of the infection with these two strains to explain the different course of infection and mortality. Day six post-inoculation was critical in the course of infection, with the highest viral load in tissues, the most widespread virus antigen, and more severe lesions. The most affected organs were the heart, liver, and spleen. Comparing infections with Morocco/2003 and Spain/2007, differences were observed in the viral load, virus antigen distribution, and lesion nature and severity. A more acute and marked inflammatory reaction (characterized by participation of microglia and CD3+ T cells) as well as neuronal necrosis in the brain were observed in partridges infected with Morocco/2003 as compared to those infected with Spain/2007. This suggests a higher neurovirulence of Morocco/2003, probably related to one or more specific molecular determinants of virulence different from Spain/2007.
Is SARS-CoV-2 Neutralized More Effectively by IgM and IgA than IgG Having the Same Fab Region?
Authors: Pisil Yalcin , Yazici Zafer , Shida Hisatoshi , Miura Tomoyuki
Published: June 2021

Recently, recombinant monoclonal antibodies (mAbs) of three Ig isotypes (IgG, IgA, and IgM) sharing the same anti-spike protein Fab region were developed; we evaluated their neutralizing abilities using a pseudo-typed lentivirus coated with the SARS-CoV-2 spike protein and ACE2-transfected Crandell–Rees feline kidney cells as the host cell line. Although each of the anti-SARS-CoV-2 mAbs was able to neutralize the spike-coated lentiviruses, IgM and IgA neutralized the viral particles at 225-fold and 125-fold lower concentrations, respectively, than that of IgG. Our finding that the neutralization ability of Igs with the same Fab domain was dramatically higher for IgM and IgA than IgG mAbs suggests a strategy for developing effective and affordable antibody therapies for COVID-19. The efficient neutralization conferred by IgM and IgA mAbs can be explained by their capacity to bind multiple virions. While several IgG mAbs have been approved as therapeutics by the FDA, there are currently no IgM or IgA mAbs available. We suggest that mAbs with multiple antigen-binding sites such as IgM and IgA could be developed as the new generation of therapy.