bluuebunny/crossref_metadata_2025 huggingface dataset:
Alterations of Left Ventricular Function Persisting during Post-Acute COVID-19 in Subjects without Previously Diagnosed Cardiovascular Pathology
Authors: Tudoran Mariana , Tudoran Cristina , Lazureanu Voichita , Marinescu Adelina , Pop Gheorghe , Pescariu Alexandru , Enache Alexandra , Cut Talida
Published: March 2021

(1) Background: Coronavirus infection (Covid-19) has emerged as a severe medical condition, associated with high pulmonary morbidity and often with cardiovascular (CV) complications. This study aims to evidence the persistence of left ventricular (LV) systolic function (LV-SF) alterations and diastolic dysfunction (DD) in COVID-19 patients without history of cardiovascular (CV) diseases by transthoracic echocardiography (TTE). (2) Methods: 125 patients, aged under 55 years, hospitalized during the first outbreak of Covid-19 for moderate pneumonia, underwent a comprehensive cardiologic examination and TTE at 6–10 weeks after discharge. Their initial in-hospital laboratory data and thorax computer tomography (TCT) were accessed from the electronic database of the hospital. (3) Results: with TTE, we documented alterations of LV-SF and DD in 8.8% of patients and in 16.8% only patterns of DD, statistically correlated with the initial levels of creatin-kinase (CK-MB) and inflammatory factors. Multivariate regression analysis evidenced that CK-MB levels, age, and body mass index (BMI) are responsible for 65% of LV-SF decrease. (4) Conclusions: Alterations of LV-SF and DD are frequent in post-acute COVID-19 infection and are responsible for the persistence of symptoms. Elevated myocardial necrosis markers during the acute phase seem to predict subsequent alteration of cardiac performance.
Predictive Biomarkers of COVID-19 Severity in SARS-CoV-2 Infected Patients with Obesity and Metabolic Syndrome
Authors: Perpiñan Carles , Bertran Laia , Terra Ximena , Aguilar Carmen , Lopez-Dupla Miguel , Alibalic Ajla , Riesco David , Camaron Javier , Perrone Francesco , Rull Anna , Reverté Laia , Yeregui Elena , Marti Anna , Vidal Francesc , Auguet Teresa
Published: March 2021

In SARS-CoV-2-infected patients, obesity, hypertension, and diabetes are dangerous factors that may result in death. Priority in detection and specific therapies for these patients are necessary. We wanted to investigate the impact of obesity and metabolic syndrome (MS) on the clinical course of COVID-19 and whether prognostic biomarkers described are useful to predict the evolution of COVID-19 in patients with obesity or MS. This prospective cohort study included 303 patients hospitalized for COVID-19. Participants were first classified according to the presence of obesity; then, they were classified according to the presence of MS. Clinical, radiologic, and analytical parameters were collected. We reported that patients with obesity presented moderate COVID-19 symptoms and pneumonia, bilateral pulmonary infiltrates, and needed tocilizumab more frequently. Meanwhile, patients with MS presented severe pneumonia and respiratory failure more frequently, they have a higher mortality rate, and they also showed higher creatinine and troponin levels. The main findings of this study are that IL-6 is a potential predictor of COVID-19 severity in patients with obesity, while troponin and LDH can be used as predictive biomarkers of COVID-19 severity in MS patients. Therefore, treatment for COVID-19 in patients with obesity or MS should probably be intensified and personalized.
High-Temperature Degradation Tests on Electric Double-Layer Capacitors: The Effect of Residual Voltage on Degradation
Authors: Omori Tomoki , Nakanishi Masahiro , Tashima Daisuke
Published: March 2021

The demand for electric double-layer capacitors, which have high capacity and are maintenance-free, for use in a variety of devices has increased. Nevertheless, it is important to know the degradation behavior of these capacitors at high temperatures because they are expected to be used in severe environments. Therefore, degradation tests at 25 °C and 80 °C were carried out in the current study to analyze the degradation behavior. Steam-activated carbon, Ketjen black, and PTFE were used as the electrodes, conductive material, and binder, respectively, and KOH was used as the electrolyte. The impedance and capacitance were calculated from the voltage and current in the device using the alternating current (AC) impedance method. The results showed that the impedance increased and the capacitance decreased over 14 days at 80 °C, which is the inverse of what we observed at 25 °C. Rapid degradation was also confirmed from the 80 °C degradation test. The residual voltage after measuring the current and voltage was a prominent factor influencing this rapid degradation.
Microstructural and Corrosion Properties of Hydroxyapatite Containing PEO Coating Produced on AZ31 Mg Alloy
Authors: Pezzato Luca , Brunelli Katya , Diodati Stefano , Pigato Mirko , Bonesso Massimiliano , Dabalà Manuele
Published: March 2021

In this work, the composition of an electrolyte was selected and optimized to induce the formation of hydroxyapatite during Plasma electrolytic oxidation (PEO) treatment on an AZ31 alloy for application in bioabsorbable implants. In detail, the PEO process, called PEO-BIO (Plasma Electrolytic Oxidation-Biocompatible), was performed using a silicate-phosphate-based electrolyte with the addition of calcium oxide in direct-current mode using high current densities and short treatment times. For comparison, a known PEO process for producing anticorrosive coatings, called standard, was applied on the same alloy. The coatings were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and XPS analyses. The corrosion performance was evaluated in simulated body fluid (SBF) at 37 °C. The coating produced on the PEO-BIO sample was porous and thicker than the standard PEO one, with zones enriched in Ca and P. The XRD analysis showed the formation of hydroxyapatite and calcium oxides in addition to magnesium-silicon oxide and magnesium oxide in the PEO-BIO sample. The corrosion resistance of PEO-BIO sample was comparable with that of a traditional PEO treated sample, and higher than that of the untreated alloy.
Response Surface Method Analysis of Chemically Stabilized Fiber-Reinforced Soil
Authors: Almajed Abdullah , Srirama Dinesh , Moghal Arif Ali Baig
Published: March 2021

One of the significant issues persisting in the study of soil stabilization is the establishment of the optimum proportions of the quantity of stabilizer to be added to the soil. Determining optimum solutions or the most feasible remedies for the utilization of stabilizing products in terms of their dose rates has become a significant concern in major civil engineering design projects. Using the response surface methodology, this study primarily focused on investigating the optimal levels of reinforcement fiber length (FL), fiber dosage (FD), and curing time (CT) for geotechnical parameters of stabilized soil. To realize this objective, an experimental study was undertaken on the California bearing ratio (CBR) and unconfined compressive strength (UCS). Hydraulic conductivity (HC) tests were also performed, with stabilizer proportions of 6–12 mm for the FL and 0.2–0.6% for the FD calculated for the total dry weight of soil and 6% lime (total weight of dry soil). The curing times used for testing were 0, 7, and 14 days for the CBR tests; 60, 210, and 360 days for the UCS tests; and 7, 17, and 28 days for the HC tests. All practical experiments were conducted with experimental techniques using stabilizer proportions and curing times. The FL, FD, CT, CBR, UCS, and HC response factors were determined using the central composite design. The results point toward a statistically significant model constructed (p ≤ 0.05) using the analysis of variance. The results from this optimization procedure show that the optimal values for the FL, FD, and CT were 11.1 mm, 0.5%, and 13.2 days, respectively, as these provided the maximum values for the CBR; 11.7 mm for the FL, 0.3% for the FD, and 160 days for the CT corresponded to the maximum values for the UCS; and 10.5 mm for the FL, 0.5% for the FD, and 15 days for the CT led to the minimum value for the HC. In practice, the suggested values may be useful for experiments, especially for preliminary assessments prior to stabilization.
Nanostructured Oxide-Based Systems for the pH-Triggered Release of Cinnamaldehyde
Authors: Cionti Carolina , Taroni Tommaso , Sabatini Valentina , Meroni Daniela
Published: March 2021

Cinnamaldehyde is a natural product with antibacterial, antifungal, and anti-inflammatory properties, poorly stable in environmental conditions. Systems for the controlled release of cinnamaldehyde are of great interest to the food and pharmaceutical industries. Here, a new oxide-based construct for the release of cinnamaldehyde catalyzed by acidic pH was obtained by a facile grafting method based on amino-silane linkers and imine chemistry. The grafting procedure led to a loading of ca. 5 molecules/nm2, determined on oxide powders with CHN and TGA measurements. The covalent grafting of cinnamaldehyde, demonstrated by FTIR analyses, preserved the molecule stability, simplifying storage. Release tests were performed at different pH values (between 5.0 and 7.4). Thanks to imine chemistry, a fast cinnamaldehyde (CIN) release was observed in a pH 5.0 environment. Using 1 mg/mL suspensions, CIN concentrations within the range adopted in the food industry were obtained (12.4 ppm). The grafting procedure was also performed on a porous film based on a photocatalytic oxide, demonstrating the versatility of this method, adaptable to both powders and macroscopic materials. By taking advantage of the photoactivity of the oxide, regeneration of the fouled film was achieved upon UV irradiation for 1 h, opening the door to reusable devices for the controlled release of cinnamaldehyde.
Effect of Pre-Wetting Recycled Mortar Aggregate on the Mechanical Properties of Masonry Mortar
Authors: Mora-Ortiz René Sebastián , Del Angel-Meraz Ebelia , Díaz Sergio Alberto , Magaña-Hernández Francisco , Munguía-Balvanera Emmanuel , Pantoja Castro Mayra Agustina , Alavez-Ramírez Justino , Alejandro Quiroga Leobardo
Published: March 2021

In this research we evaluated the use of recycled fine mortar aggregate (RFMA) as a fine aggregate for new masonry mortar creation. The pre-wetting effect on the aggregate before creating the mixture was analyzed as a method to reduce its absorption potential. A control mixture of conventional mortar and two groups of recycled mortars were designed with a partial replacement of natural sand by RFMA (pre-wetted and not pre-wetted) performed in different proportions. The results established that the pre-wetting process allows a reduction in the amount of water required during the creation of new mixtures, regulating the water/cement (W/C) ratio and improving the properties of recycled mortars such as air content, fresh and hardened densities, and compressive and adhesive strength for all substitution levels. Mortar made with a 20% substitution and pre-wetted until it was at 67% of its absorption capacity displayed adhesive values higher than the ones shown by the reference mortar. The pre-wetting process proves to be an easy performance technique; it is inexpensive, environmentally friendly, and the most valuable fact is that specialized equipment is not necessarily needed. This process is the most profitable option for improving RFMA exploitation and reuse.
A Foundation for Logarithmic Utility Function of Money
Authors: Navarro-González Francisco J. , Villacampa Yolanda
Published: March 2021

This paper presents a study on the optimization problem of a consumer’s choice constrained to a single time interval. In this problem, the choice is made over a set of perishable goods such that they do not retain value at the end of the period. Money has been introduced as the only means available to store that value for the future. Thus, consumer utility is measured on the possible combinations of goods consumed during the period and money held at the end of the period. Additionally, a set of simple conditions are assumed to the utility functions for goods and money given by: (1) Existence of a total utility that is additively separable with respect to the components of goods and money; (2) continuity of the derivatives of the utility functions of money and goods up to the second degree; and (3) non-uniqueness of the matrix obtained by differentiating the system of equations obtained by the condition of optimum. The article shows how the requirement of homogeneity conditions limits the possible expressions for the utility function of money. One of them is the frequently used logarithmic function.
Controllability for Retarded Semilinear Neutral Control Systems of Fractional Order in Hilbert Spaces
Authors: Kim Daewook , Jeong Jin-Mun
Published: March 2021

In this paper, we discuss the approximate controllability for a class of retarded semilinear neutral control systems of fractional order by investigating the relations between the reachable set of the semilinear retarded neutral system of fractional order and that of its corresponding linear system. The research direction used here is to find the conditions for nonlinear terms so that controllability is maintained even in perturbations. Finally, we will show a simple example to which the main result can be applied.
Vehicle Response to Kinematic Excitation, Numerical Simulation Versus Experiment
Authors: Melcer Jozef , Merčiaková Eva , Kúdelčíková Mária , Valašková Veronika
Published: March 2021

The article is devoted to the numerical simulation and experimental verification of a vehicle’s response to kinematic excitation caused by driving along an asphalt road. The source of kinematic excitation was road unevenness, which was mapped by geodetic methods. Vertical unevenness was measured in 0.25 m increments in two longitudinal profiles of the road spaced two meters apart with precise leveling realized by geodetic digital levels. A space multi-body computational model of a Tatra 815 heavy truck was adopted. The model had 15 degrees of freedom. Nine degrees of freedom were tangible and six degrees of freedom were intangible. The equations of motion were derived in the form of second-order ordinary differential equations and were solved numerically by the Runge–Kutta method. A custom computer program in MATLAB was created for numerical simulation of vehicle movement (eps = 2−52). The program allowed simulation of quantities such as deflections, speeds, accelerations at characteristic points of the vehicle, and static or dynamic components of contact forces arising between the wheel and the road. The response of the vehicle (acceleration at characteristic points) at different speeds was experimentally tested. The experiment was numerically simulated and the results were mutually compared. The basic statistical characteristics of experimentally obtained and numerically simulated signals and their power spectral densities were compared.
Handling Hysteresis in a Referral Marketing Campaign with Self-Information. Hints from Epidemics
Authors: Lacitignola Deborah
Published: March 2021

In this study we show that concept of backward bifurcation, borrowed from epidemics, can be fruitfully exploited to shed light on the mechanism underlying the occurrence of hysteresis in marketing and for the strategic planning of adequate tools for its control. We enrich the model introduced in (Gaurav et al., 2019) with the mechanism of self-information that accounts for information about the product performance basing on consumers’ experience on the recent past. We obtain conditions for which the model exhibits a forward or a backward phenomenology and evaluate the impact of self-information on both these scenarios. Our analysis suggests that, even if hysteretic dynamics in referral campaigns is intimately linked to the mechanism of referrals, an adequate level of self-information and a fairly high level of customer-satisfaction can act as strategic tools to manage hysteresis and allow the campaign to spread in more controllable conditions.
New Polyketides from the Antarctic Fungus Pseudogymnoascus sp. HSX2#-11
Authors: Shi Ting , Yu Yan-Yan , Dai Jia-Jia , Zhang Yi-Ting , Hu Wen-Peng , Zheng Li , Shi Da-Yong
Published: March 2021

The species Pseudogymnoascus is known as a psychrophilic pathogenic fungus with a ubiquitous distribution in Antarctica. Meanwhile, the study of its secondary metabolites is infrequent. Systematic research of the metabolites of the fungus Pseudogymnoascus sp. HSX2#-11, guided by the method of molecular networking, led to the isolation of one novel polyketide, pseudophenone A (1), along with six known analogs (2–7). The structure of the new compound was elucidated by extensive spectroscopic investigation and single-crystal X-ray diffraction. Pseudophenone A (1) is a dimer of diphenyl ketone and diphenyl ether, and there is only one analog of 1 to the best of our knowledge. Compounds 1 and 2 exhibited antibacterial activities against a panel of strains. This is the first time to use molecular networking to study the metabolic profiles of Antarctica fungi.
A Study of Combining Elastin in the Chitosan Electrospinning to Increase the Mechanical Strength and Bioactivity
Authors: Su Hengjie , Fujiwara Tomoko , Bumgardner Joel D.
Published: March 2021

While electrospun chitosan membranes modified to retain nanofibrous morphology have shown promise for use in guided bone regeneration applications in in vitro and in vivo studies, their mechanical tear strengths are lower than commercial collagen membranes. Elastin, a natural component of the extracellular matrix, is a protein with extensive elastic property. This work examined the incorporation of elastin into electrospun chitosan membranes to improve their mechanical tear strengths and to further mimic the native extracellular composition for guided bone regeneration (GBR) applications. In this work, hydrolyzed elastin (ES12, Elastin Products Company, USA) was added to a chitosan spinning solution from 0 to 4 wt% of chitosan. The chitosan–elastin (CE) membranes were examined for fiber morphology using SEM, hydrophobicity using water contact angle measurements, the mechanical tear strength under simulated surgical tacking, and compositions using Fourier-transform infrared spectroscopy (FTIR) and post-spinning protein extraction. In vitro experiments were conducted to evaluate the degradation in a lysozyme solution based on the mass loss and growth of fibroblastic cells. Chitosan membranes with elastin showed significantly thicker fiber diameters, lower water contact angles, up to 33% faster degradation rates, and up to seven times higher mechanical strengths than the chitosan membrane. The FTIR spectra showed stronger amide peaks at 1535 cm−1 and 1655 cm−1 in membranes with higher concentrated elastin, indicating the incorporation of elastin into electrospun fibers. The bicinchoninic acid (BCA) assay demonstrated an increase in protein concentration in proportion to the amount of elastin added to the CE membranes. In addition, all the CE membranes showed in vitro biocompatibility with the fibroblasts.
Theoretical Analysis of a Mathematical Relation between Driving Pressures in Membrane-Based Desalting Processes
Authors: Chae Sung Ho , Kim Joon Ha
Published: March 2021

Osmotic and hydraulic pressures are both indispensable for operating membrane-based desalting processes, such as forward osmosis (FO), pressure-retarded osmosis (PRO), and reverse osmosis (RO). However, a clear relation between these driving pressures has not thus far been identified; hence, the effect of change in driving pressures on systems has not yet been sufficiently analyzed. In this context, this study formulates an actual mathematical relation between the driving pressures of membrane-based desalting processes by taking into consideration the presence of energy loss in each driving pressure. To do so, this study defines the pseudo-driving pressures representing the water transport direction of a system and the similarity coefficients that quantify the energy conservation rule. Consequently, this study finds three other theoretical constraints that are required to operate membrane-based desalting processes. Furthermore, along with the features of the similarity coefficients, this study diagnoses the commercial advantage of RO over FO/PRO and suggests desirable optimization sequences applicable to each process. Since this study provides researchers with guidelines regarding optimization sequences between membrane parameters and operational parameters for membrane-based desalting processes, it is expected that detailed optimization strategies for the processes could be established.
Corrosion Behavior, Microstructure and Mechanical Properties of Novel Mg-Zn-Ca-Er Alloy for Bio-Medical Applications
Authors: Panemangalore Devadas Bhat , Shabadi Rajashekhara , Gupta Manoj
Published: March 2021

In this study, the effect of calcium (Ca) and erbium (Er) on the microstructure, mechanical properties, and corrosion behavior of magnesium-zinc alloys is reported. The alloys were prepared using disintegrated melt deposition (DMD) technique using the alloying additions as Zn, Ca, and Mg-Er master alloys and followed by hot extrusion. Results show that alloying addition of Er has significantly reduced the grain sizes of Mg-Zn alloys and also when compared to pure magnesium base material. It also has substantially enhanced both the tensile and the compressive properties by favoring the formation of MgZn2 type secondary phases that are uniformly distributed during hot-extrusion. The quaternary Mg-Zn-Ca-Er alloy exhibited the highest strength due to lower grain size and particle strengthening due to the influence of the rare earth addition Er. The observed elongation was a result of extensive twinning observed in the alloys. Also, the degradation rates have been substantially reduced as a result of alloying additions and it is attributed to the barrier effect caused by the secondary phases.
Galantamine Quantity and Alkaloid Profile in the Bulbs of Narcissus tazetta and daffodil cultivars (Amaryllidaceae) Grown in Israel
Authors: Atrahimovich Dana , Harris Raviv , Eitan Ron , Cohen Menashe , Khatib Soliman
Published: March 2021

Alkaloids produced by the bulbs of the Amaryllidaceae are a source of pharmaceutical compounds. The main alkaloid, galantamine, is a reversible acetylcholinesterase inhibitor and allosteric nicotinic receptor modulator, which slows cognitive and functional decline in mild to moderate dementia due to Alzheimer’s disease. Having a complex stereochemistry, the organic synthesis of galantamine for pharmaceutical uses is highly challenging and not always economically viable, and it is therefore isolated from Amaryllidaceae bulbs. In the present study, galantamine was extracted and quantified in Narcissus bulbs from five cultivars (cvs.), Fortune, Carlton, Ice Follies, Galilee and Ziva, which were grown in Israel under various conditions. Results show that the cvs. Fortune, Carlton and Ice Follies bulbs contained 285 ± 47, 452 ± 73 and 69 ± 17 µg g−1 galantamine, respectively, while the Galilee and Ziva bulbs contained relatively low concentrations of galantamine (1–20 µg g−1). Irrigation levels and pruning conditions did not affect the galantamine contents. Additionally, the alkaloids profile of the five cvs. was analyzed and characterized using LC-MS/MS showing that galantamine-type alkaloids were mainly detected in the Fortune and Carlton bulbs, lycorine-type alkaloids were mainly detected at the Galilee and Ziva bulbs and vittatine-type alkaloids were mainly detected in the Ice Follies bulbs. The present research is the first to characterize the alkaloids profile in the Narcissus bulbs of Galilee and Ziva, indigenous cvs. grown in Israel. The antiviral and anticancer alkaloids lycorine and lycorinine were the main alkaloids detected in the bulbs of those cultivars.
The Role of Risk or Contributory Death Factors in Methadone-Related Fatalities: A Review and Pooled Analysis
Authors: Giorgetti Arianna , Pascali Jennifer , Montisci Massimo , Amico Irene , Bonvicini Barbara , Fais Paolo , Viero Alessia , Giorgetti Raffaele , Cecchetto Giovanni , Viel Guido
Published: March 2021

Methadone-related deaths are characterized by a wide range of post-mortem blood concentrations, due to the high pharmacokinetic/dynamic inter-individual variability, the potential subjective tolerance state and to other risk factors or comorbidities, which might enhance methadone acute toxicity. In the present study, the association among pre-existing and external conditions and diseases and the resultant methadone death capacity have been investigated. Beside a systematic literature review, a retrospective case-control study was done, dividing cases in which methadone was the only cause of death (controls), and those with associated clinical-circumstantial (naive/non-tolerant state), pathological (pulmonary or cardiovascular diseases) or toxicological (other drugs detected) conditions. Methadone concentrations were compared between the two groups and the association with conditions/diseases was assessed by multiple linear and binomial logistic regressions. Literature cases were 139, in house 35, consisting of 22 controls and 152 cases with associated conditions/diseases. Mean methadone concentrations were 2122 ng/mL and 715 ng/mL in controls and cases respectively, with a statistically significant difference (p < 0.05). Lower methadone concentrations (by 24, 19 and 33% respectively) were detected in association with naive/non-tolerant state, pulmonary diseases and presence of other drugs, and low levels of methadone (<600 ng/mL) might lead to death in the presence of the above conditions/diseases.
The Effect of Hydrodynamic Conditions on the Selective Flotation of Fully Liberated Low Grade Copper-Nickel Ore
Authors: Kumar Haresh , Luolavirta Kirsi , Akram Saad Ullah , Mehmood Hassan , Luukkanen Saija
Published: March 2021

Low grade sulfide ores are difficult to process due to their composite mineralogy and their fine grained dissemination with gangue minerals. Therefore, fine grinding of such ores becomes essential to liberate valuable minerals. In this research, selective flotation was carried out using two pitched blade turbine impellers with diameters of 6 cm and 7 cm to float copper and nickel. The main focus of this research was to generate optimum hydrodynamic conditions that can effectively separate nickel and copper from gangue minerals. In addition, we investigated the effects of superficial gas velocity, impeller speed, bubble size distribution, and bubble surface area flux on the flotation recovery and rate constant. The results demonstrated that a 7 cm impeller comparatively produced optimum hydrodynamic conditions that improved Cu-Ni recovery and the rate constant. The maximum copper and nickel recoveries in the 7 cm impeller tests were observed at 93.1% and 72.5%, respectively. However, a significant decrease in the flotation rate of nickel was observed, due to entrainment of nickel in copper concentrate and the slime coating of gangue minerals on the nickel particle surfaces.
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases
Authors: Green James A. , Jouybari Martha Yaghoubi , Aranda Daniel , Improta Roberto , Santoro Fabrizio
Published: March 2021

We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC) Hamiltonians with Time Dependent (TD) Density Functional Theory (TD-DFT), and exploits the latest developments in multiconfigurational TD-Hartree methods for an effective wave packet propagation. In this contribution we explore the potentialities of this approach to compute nonadiabatic vibronic spectra and ultrafast dynamics, by applying it to the five nucleobases present in DNA and RNA. For all of them we computed the absorption spectra and the dynamics of ultrafast internal conversion (100 fs timescale), fully coupling the first 2–3 bright states and all the close by dark states, for a total of 6–9 states, and including all the normal coordinates. We adopted two different functionals, CAM-B3LYP and PBE0, and tested the effect of the basis set. Computed spectra are in good agreement with the available experimental data, remarkably improving over pure electronic computations, but also with respect to vibronic spectra obtained neglecting inter-state couplings. Our QD simulations indicate an effective population transfer from the lowest energy bright excited states to the close-lying dark excited states for uracil, thymine and adenine. Dynamics from higher-energy states show an ultrafast depopulation toward the more stable ones. The proposed protocol is sufficiently general and automatic to promise to become useful for widespread applications.
Synthesis and Biological Evaluation of 2,3,4-Triaryl-1,2,4-oxadiazol-5-ones as p38 MAPK Inhibitors
Authors: Romeo Roberto , Giofrè Salvatore V. , Chiacchio Maria A. , Veltri Lucia , Celesti Consuelo , Iannazzo Daniela
Published: March 2021

A series of azastilbene derivatives, characterized by the presence of the 1,2,4-oxadiazole-5-one system as a linker of the two aromatic rings of stilbenes, have been prepared as novel potential inhibitors of p38 MAPK. Biological assays indicated that some of the synthesized compounds are endowed with good inhibitory activity towards the kinase. Molecular modeling data support the biological results showing that the designed compounds possess a reasonable binding mode in the ATP binding pocket of p38α kinase with a good binding affinity.
Thiol-ene Reaction: An Efficient Tool to Design Lipophilic Polyphosphoesters for Drug Delivery Systems
Authors: Vanslambrouck Stéphanie , Riva Raphaël , Ucakar Bernard , Préat Véronique , Gagliardi Mick , Molin Daniel G. M. , Lecomte Philippe , Jérôme Christine
Published: March 2021

Poly(ethylene glycol)-b-polyphosphoester (PEG-b-PPE) block copolymer nanoparticles are promising carriers for poorly water soluble drugs. To enhance the drug loading capacity and efficiency of such micelles, a strategy was investigated for increasing the lipophilicity of the PPE block of these PEG-b-PPE amphiphilic copolymers. A PEG-b-PPE copolymer bearing pendant vinyl groups along the PPE block was synthesized and then modified by thiol-ene click reaction with thiols bearing either a long linear alkyl chain (dodecyl) or a tocopherol moiety. Ketoconazole was used as model for hydrophobic drugs. Comparison of the drug loading with PEG-b-PPE bearing shorter pendant groups is reported evidencing the key role of the structure of the pendant group on the PPE backbone. Finally, a first evidence of the biocompatibility of these novel PEG-b-PPE copolymers was achieved by performing cytotoxicity tests. The PEG-b-PPE derived by tocopherol was evidenced as particularly promising as delivery system of poorly water-soluble drugs.
Nanoformulations for Delivery of Pentacyclic Triterpenoids in Anticancer Therapies
Authors: Kaps Anna , Gwiazdoń Paweł , Chodurek Ewa
Published: March 2021

The search for safe and effective anticancer therapies is one of the major challenges of the 21st century. The ineffective treatment of cancers, classified as civilization diseases, contributes to a decreased quality of life, health loss, and premature mortality in oncological patients. Many natural phytochemicals have anticancer potential. Pentacyclic triterpenoids, characterized by six- and five-membered ring structures, are one of the largest class of natural metabolites sourced from the plant kingdom. Among the known natural triterpenoids, we can distinguish lupane-, oleanane-, and ursane-types. Pentacyclic triterpenoids are known to have many biological activities, e.g., anti-inflammatory, antibacterial, hepatoprotective, immunomodulatory, antioxidant, and anticancer properties. Unfortunately, they are also characterized by poor water solubility and, hence, low bioavailability. These pharmacological properties may be improved by both introducing some modifications to their native structures and developing novel delivery systems based on the latest nanotechnological achievements. The development of nanocarrier-delivery systems is aimed at increasing the transport capacity of bioactive compounds by enhancing their solubility, bioavailability, stability in vivo and ensuring tumor-targeting while their toxicity and risk of side effects are significantly reduced. Nanocarriers may vary in sizes, constituents, shapes, and surface properties, all of which affect the ultimate efficacy and safety of a given anticancer therapy, as presented in this review. The presented results demonstrate the high antitumor potential of systems for delivery of pentacyclic triterpenoids.
Synthetic Applications of Aziridinium Ions
Authors: Ranjith Jala , Ha Hyun-Joon
Published: March 2021

Nonactivated aziridine with an electron-donating group at the ring nitrogen should be activated to an aziridinium ion prior to being converted to cyclic and acyclic nitrogen-containing molecules. This review describes ways to generate aziridinium ions and their utilization for synthetic purposes. Specifically, the intra- and intermolecular formation of aziridinium ions with proper electrophiles are classified, and their regio- and stereoselective transformations with nucleophiles are described on the basis of recent developments.
Novel Processes for the Extraction of Phenolic Compounds from Olive Pomace and Their Protection by Encapsulation
Authors: Chanioti Sofia , Katsouli Maria , Tzia Constantina
Published: March 2021

Olive pomace, the solid by-product derived from olive oil production consists of a high concentration of bioactive compounds with antioxidant activity, such as phenolic compounds, and their recovery by applying innovative techniques is a great opportunity and challenge for the olive oil industry. This study aimed to point out a new approach for the integrated valorization of olive pomace by extracting the phenolic compounds and protecting them by encapsulation or incorporation in nanoemulsions. Innovative assisted extraction methods were evaluated such as microwave (MAE), homogenization (HAE), ultrasound (UAE), and high hydrostatic pressure (HHPAE) using various solvent systems including ethanol, methanol, and natural deep eutectic solvents (NADESs). The best extraction efficiency of phenolic compounds was achieved by using NADES as extraction solvent and in particular the mixture choline chloride-caffeic acid (CCA) and choline chloride-lactic acid (CLA); by HAE at 60 °C/12,000 rpm and UAE at 60 °C, the total phenolic content (TPC) of extracts was 34.08 mg gallic acid (GA)/g dw and 20.14 mg GA/g dw for CCA, and by MAE at 60 °C and HHPAE at 600 MPa/10 min, the TPC was 29.57 mg GA/g dw and 25.96 mg GA/g dw for CLA. HAE proved to be the best method for the extraction of phenolic compounds from olive pomace. Microencapsulation and nanoemulsion formulations were also reviewed for the protection of the phenolic compounds extracted from olive pomace. Both encapsulation techniques exhibited satisfactory results in terms of encapsulation stability. Thus, they can be proposed as an excellent technique to incorporate phenolic compounds into food products in order to enhance both their antioxidative stability and nutritional value.
The Evolving Role of Microsampling in Therapeutic Drug Monitoring of Monoclonal Antibodies in Inflammatory Diseases
Authors: Mingas Panagiotis-Dimitrios , Zdovc Jurij , Grabnar Iztok , Vovk Tomaž
Published: March 2021

Monoclonal antibodies (mAbs) have been extensively developed over the past few years, for the treatment of various inflammatory diseases. They are large molecules characterized by complex pharmacokinetic and pharmacodynamic properties. Therapeutic drug monitoring (TDM) is routinely implemented in the therapy with mAbs, to monitor patients’ treatment response and to further guide dose adjustments. Serum has been the matrix of choice in the TDM of mAbs and its sampling requires the visit of the patients to laboratories that are not always easily accessible. Therefore, dried blood spots (DBS) and various microsampling techniques have been suggested as an alternative. DBS is a sampling technique in which capillary blood is deposited on a special filter paper. It is a relatively simple procedure, and the patients can perform the home-sampling. The convenience it offers has enabled its use in the quantification of small-molecule drugs, whilst in the recent years, studies aimed to develop microsampling methods that will facilitate the TDM of mAbs. Nevertheless, hematocrit still remains an obstacle that hinders a more widespread implementation of DBS in clinical practice. The introduction of novel analytical techniques and contemporary microsampling devices can be considered the steppingstone to the attempts made addressing this issue.
Compendium of Methods to Uncover RNA-Protein Interactions In Vivo
Authors: Majumder Mrinmoyee , Palanisamy Viswanathan
Published: March 2021

Control of gene expression is critical in shaping the pro-and eukaryotic organisms’ genotype and phenotype. The gene expression regulatory pathways solely rely on protein–protein and protein–nucleic acid interactions, which determine the fate of the nucleic acids. RNA–protein interactions play a significant role in co- and post-transcriptional regulation to control gene expression. RNA-binding proteins (RBPs) are a diverse group of macromolecules that bind to RNA and play an essential role in RNA biology by regulating pre-mRNA processing, maturation, nuclear transport, stability, and translation. Hence, the studies aimed at investigating RNA–protein interactions are essential to advance our knowledge in gene expression patterns associated with health and disease. Here we discuss the long-established and current technologies that are widely used to study RNA–protein interactions in vivo. We also present the advantages and disadvantages of each method discussed in the review.
Cohousing IoT: Technology Design for Life in Community
Authors: Jenkins Tom
Published: March 2021

This paper presents a research-through-design project to develop and interpret speculative smart home technologies for cohousing communities—Cohousing IoT. Fieldwork at multiple sites coupled to a constructive design research process led to three prototypes designed for cohousing communities: Cohousing Radio, Physical RSVP, and Participation Scales. These were brought back to the communities that inspired them as a form of evaluation, but also to generate new understandings of designing for cohousing. In discussing how they understand these prototypes, this paper offers an account of how research though design generates knowledge that is specific to the conditions and issues that matter to communities. This contributes to design research more broadly in two ways. First, it demonstrates how contemporary ideas of smart home technology are or could be made relevant to broader ways of living in the future. Second, it provides an example of how a design research process can serve to uncover community values, issues, and goals.
Assessing the Carboxymethylcellulose Copper-Montmorillonite Nanocomposite for Controlling the Infection of Erwinia carotovora in Potato (Solanum tuberosum L.)
Authors: Rienzie Ryan , Sendanayake Lasantha , De Costa Devika , Hossain Akbar , Brestic Marian , Skalicky Milan , Vachova Pavla , Adassooriya Nadeesh M.
Published: March 2021

A novel antimicrobial formulation based on carboxymethylcellulose (CMC) spray-coated Cu2+ intercalated montmorillonite (MMT) nanocomposite material was prepared and its morphology, internal structure, and bonding interactions were studied. Meanwhile, the antibacterial efficacy and release behavior of Cu2+ was also determined. PXRD patterns indicated the intercalation of Cu2+, while FTIR spectra and TGA traces confirmed the association of Cu−MMT with CMC. SEM study revealed the improvement of nanocomposites by CMC, without disturbing the clay structure. TEM and EDAX studies indicated the distribution of Cu (copper) throughout the composite. In vitro antibacterial assays performed with Erwinia carotovora revealed effective bacterial growth suppression, indicating the potential of this material in controlling soft rot of potatoes (Solanum tuberosum); also observed was a connection between growth inhibition and concentration of CMC spray coats indicating a positive relationship between Cu2+ release and concentration of the CMC coatings. The activity pattern of the nanocomposite displayed a significant degree of sustained-release behavior.
Evaluation of Fe-Mg Binary Oxide for As (III) Adsorption—Synthesis, Characterization and Kinetic Modelling
Authors: Khan Saif Ullah , Zaidi Rumman , Shaik Feroz , Farooqi Izharul Haq , Azam Ameer , Abuhimd Hatem , Ahmed Faheem
Published: March 2021

Nanotechnology has received much attention in treating contaminated waters. In the present study, a facile co-precipitation method was employed to synthesize a novel iron and magnesium based binary metal oxide using a stoichiometrically fixed amount of FeNO3·9H2O and MgNO3·6H2O in a proportion of molar concentration 1:1 and was later evaluated in removing As (III) from contaminated waters. Characterization of the prepared nanomaterial was done using X-ray diffraction (XRD), scanning electron microscopy (SEM), Energy Dispersive X-ray Analysis (EDAX) and ultraviolet–visible spectrophotometry (UV-VIS). Experimental studies on batch scale were carried out, examining the effect of varying initial concentrations of metal, adsorbent dosage, application time and initial pH on removal efficiency. Arsenic removal increased on increasing adsorbent dosage (0.1–1 g/L) but trend reversed on increasing initial arsenic concentration attaining qmax of 263.20 mg/g. Adsorption was quite efficient in pH range 4–8. Freundlich fitted better for adsorption isotherm along with following Pseudo-2nd order kinetics. The reusability and effect of co-existing ions on arsenic adsorption, namely SO42−, CO32− and PO43− were also explored with reusability in 1st and 2nd cycles attained adsorptive removal up to 77% and 64% respectively. The prepared nano-adsorbent showed promising results in terms of high arsenic uptake (qmax of 263.20 mg/g) along with facile and cost-effective synthesis. Thus, the co-precipitation technique used in this work is a simple one step procedure without any use of any precursor as compared to most of the other procedures used for synthesis.
Elongated-Hexagonal Photonic Crystal for Buffering, Sensing, and Modulation
Authors: Elshahat Sayed , Abood Israa , Liang Zixian , Pei Jihong , Ouyang Zhengbiao
Published: March 2021

A paradigm for high buffering performance with an essential fulfillment for sensing and modulation was set forth. Through substituting the fundamental two rows of air holes in an elongated hexagonal photonic crystal (E-PhC) by one row of the triangular gaps, the EPCW is molded to form an irregular waveguide. By properly adjusting the triangle dimension solitary, we fulfilled the lowest favorable value of the physical-size of each stored bit by about μ5.5510 μm. Besides, the EPCW is highly sensitive to refractive index (RI) perturbation attributed to the medium through infiltrating the triangular gaps inside the EPCW by microfluid with high RI sensitivity of about 379.87 nm/RIU. Furthermore, dynamic modulation can be achieved by applying external voltage and high electro-optical (EO) sensitivity is obtained of about 748.407 nm/RIU. The higher sensitivity is attributable to strong optical confinement in the waveguide region and enhanced light-matter interaction in the region of the microfluid triangular gaps inside the EPCW and conventional gaps (air holes). The EPCW structure enhances the interaction between the light and the sensing medium.
Paleolithic Diet—Effect on the Health Status and Performance of Athletes?
Authors: Frączek Barbara , Pięta Aleksandra , Burda Adrian , Mazur-Kurach Paulina , Tyrała Florentyna
Published: March 2021

The aim of this meta-analysis was to review the impact of a Paleolithic diet (PD) on selected health indicators (body composition, lipid profile, blood pressure, and carbohydrate metabolism) in the short and long term of nutrition intervention in healthy and unhealthy adults. A systematic review of randomized controlled trials of 21 full-text original human studies was conducted. Both the PD and a variety of healthy diets (control diets (CDs)) caused reduction in anthropometric parameters, both in the short and long term. For many indicators, such as weight (body mass (BM)), body mass index (BMI), and waist circumference (WC), impact was stronger and especially found in the short term. All diets caused a decrease in total cholesterol (TC), low-density lipoprotein cholesterol (LDL-C), and triglycerides (TG), albeit the impact of PD was stronger. Among long-term studies, only PD cased a decline in TC and LDL-C. Impact on blood pressure was observed mainly in the short term. PD caused a decrease in fasting plasma (fP) glucose, fP insulin, and homeostasis model assessment of insulin resistance (HOMA-IR) and glycated hemoglobin (HbA1c) in the short run, contrary to CD. In the long term, only PD caused a decrease in fP glucose and fP insulin. Lower positive impact of PD on performance was observed in the group without exercise. Positive effects of the PD on health and the lack of experiments among professional athletes require longer-term interventions to determine the effect of the Paleo diet on athletic performance.
Functional Autoreactive Anti-β2 Adrenergic Antibodies May Contribute to Insulin Resistance Profile in Patients with Chronic Chagas Disease
Authors: Rodeles Luz María , Vicco Miguel Hernán , Siano Álvaro , Fuchs Leonardo Andrés , Peverengo Luz María , Sanchez Puch Silvia , Cymeryng Cora Beatriz , Marcipar Iván Sergio , Arias Pablo
Published: March 2021

Potential activation of β2 adrenergic receptors (β2AR) by specific autoreactive antibodies (Abs) that arise during the host reaction to Trypanosoma cruzi, could contribute to the elevated prevalence of metabolic disturbances described in patients with chronic Chagas disease (CCD). This study aimed to determine the prevalence of anti-β2AR Abs in patients with CCD, as well as the correlation of these Abs with the presence of glucose and lipid metabolism disturbances, in order to explore their association with an insulin resistance profile. Additionally, we tested the functional effects of anti-β2AR Abs employing an in vitro bioassay with neuroendocrine cells expressing β2AR. A clinical and metabolic evaluation including an OGTT was performed in 80 CCD patients and 40 controls. Anti-β2AR Abs were measured by an in-house-developed ELISA, and the β2 adrenergic activity of affinity-purified IgG fractions from patient’ sera were assayed in CRE-Luc and POMCLuc transfected AtT-20 cells. A higher proportion of dysglycemia (72.5% vs. 37.5%; p = 0.001) was observed in the CCD group, accompanied by increased HOMA2-IR (p = 0.019), especially in subjects with Abs (+). Anti-β2AR Abs reactivity (7.01 (2.39–20.5); p = 0.0004) and age >50 years (3.83 (1.30–11.25); p = 0.014) resulted as relevant for IR prediction (AUC: 0.786). Concordantly, Abs (+) CCD patients showed elevated metabolic risk scores and an increased prevalence of atherogenic dyslipidemia (p = 0.040), as compared to Abs (−) patients and controls. On functional bioassays, Abs exerted specific and dose-dependent β2-agonist effects. Our findings suggest that anti-β2AR Abs may induce the activation of β2AR in other tissues besides the heart; furthermore, we show that in patients with CCD these Abs are associated with an insulin resistance profile and atherogenic dyslipidemia, providing biological plausibility to the hypothesis that adrenergic activation by anti-β2AR Abs could contribute to the pathogenesis of metabolic disturbances described in CCD patients, increasing their cardiovascular risk.