bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the Feasibility of a Two-Week Course of Aquatic Therapy and Thalassotherapy in a Mild Post-Stroke Population
Authors: Morer Carla , Michan-Doña Alfredo , Alvarez-Badillo Antonio , Zuluaga Pilar , Maraver Francisco
Published: November 2020

Strokes are a leading cause of disability in developed countries. Patients with disabilities need rehabilitation to improve their physical functioning, mental status, and quality of life. Currently, no high-quality evidence can be found attesting the benefits of any of the interventions that are nowadays used. Water-based exercise may improve the physical conditions and quality of life of people in the post-stroke phase. The objective of this study is to test whether aquatic therapy in an enriched environment at the seaside (a thalassotherapy center) could play a role in this condition. A quasi-experimental prospective study consisting of a specific program assessed 62 patients with a mild–moderate disability pre- and post-2 weeks of intensive treatment. They followed a thalassotherapy regimen including aquatic therapy in a sea water pool at 32–34 °C for 45 min daily five times a week. The outcomes measured were the Berg Balance scale, the Timed Up and Go test, the 10-meter walking test, the 6-min walking test, the Pain Visual Analogue Scale, the WHO Well-being index, EuroQoL VAS and EuroQoL 5D. We observed a significant improvement in all outcomes measured (p < 0.001, except mobility EuroQoL p < 0.05), except in the other four dimensions of the EuroQoL 5D and 10-metre walking test (NS). Conclusion: A two-week intensive course of aquatic therapy and thalassotherapy may be beneficial in the short term by reducing pain and improving the functional status and overall well-being of post-stroke patients.
Demographic and Socioeconomic Determinants of Body Mass Index in People of Working Age
Authors: Puciato Daniel , Rozpara Michał
Published: November 2020

Obesity is currently the most common metabolic disease, causing numerous health problems and, if untreated, leading to premature mortality. Obesity is a significant issue among people of working age since their ability to work depends directly on their health condition and psychomotor fitness. Demographic and socioeconomic factors have a significant impact on the body weight of people of working age. The aim of this study is to identify relationships between the body mass index and selected demographic and socioeconomic variables in working-age residents of the city of Wrocław, Poland. The study involved 4315 respondents (2206 women and 2109 men) aged 18–64 years from Wrocław. The sample selection was random and purposive, using multilevel stratification. The applied research tool was the authors’ own cross-sectional diagnostic questionnaire of socioeconomic status. Based on the collected data, the respondents’ body weight was categorized according to WHO criteria. The majority of respondents (60%) had a normal body weight, while 40% were categorized as overweight or obese. The difference was statistically significant (p < 0.001). Sex, age, occupational status, marital status, number of people in the household, having a steady source of income, disposable (net) income, and savings were significantly correlated (p < 0.001) with respondents’ body mass index. Public health programs aimed at promoting healthy lifestyle behaviors should be addressed primarily to groups at the highest risk of overweight and obesity.
Prediction of Somatotype from Bioimpedance Analysis in Elite Youth Soccer Players
Authors: Campa Francesco , Matias Catarina N. , Nikolaidis Pantelis T. , Lukaski Henry , Talluri Jacopo , Toselli Stefania
Published: November 2020

The accurate body composition assessment comprises several variables, causing it to be a time consuming evaluation as well as requiring different and sometimes costly measurement instruments. The aim of this study was to develop new equations for the somatotype prediction, reducing the number of normal measurements required by the Heath and Carter approach. A group of 173 male soccer players (age, 13.6 ± 2.2 years, mean ± standard deviation; body mass index, BMI, 19.9 ± 2.5 kg/m2), members of the academy of a professional Italian soccer team participating in the first division (Serie A), participated in this study. Bioelectrical impedance analysis (BIA) was performed using the single frequency of 50 kHz and fat-free mass (FFM) was calculated using a BIA specific, impedance based equation. Somatotype components were estimated according to the Heath-Carter method. The participants were randomly split into development (n = 117) and validation groups (n = 56). New anthropometric and BIA based models were developed (endomorphy = −1.953 − 0.011 × stature2/resistance + 0.135 × BMI + 0.232 × triceps skinfold, R2 = 0.86, SEE = 0.28; mesomorphy = 6.848 + 0.138 × phase angle + 0.232 × contracted arm circumference + 0.166 × calf circumference − 0.093 × stature, R2 = 0.87, SEE = 0.40; ectomorphy = −5.592 − 38.237 × FFM/stature + 0.123 × stature, R2 = 0.86, SEE = 0.37). Cross validation revealed R2 of 0.84, 0.80, and 0.87 for endomorphy, mesomorphy, and ectomorphy, respectively. The new proposed equations allow for the integration of the somatotype assessment into BIA, reducing the number of collected measurements, the instruments used, and the time normally required to obtain a complete body composition analysis.
IgG4-Related Disease of the Oral Cavity. Case Series from a Large Single-Center Cohort of Italian Patients
Authors: Rampi Andrea , Lanzillotta Marco , Mancuso Gaia , Vinciguerra Alessandro , Dagna Lorenzo
Published: November 2020

A series of destructive and tumefactive lesions of the oral cavity are increasingly recognized as part of the IgG4-related disease (IgG4-RD) spectrum. We herein examined the clinical, serological, radiological, and histological features of a series of patients referred to our clinic because of oral cavity lesions ultimately attributed to IgG4-RD. In particular, we studied 6 consecutive patients out of 200 patients referred to the immunology outpatient unit who presented with erosive and/or tumefactive lesions of the oral cavity. All patients underwent serum IgG4 measurement, nasal endoscopy, radiological studies, and histological evaluation of tissue specimens. The histological studies included immunostaining studies to assess the number of IgG4+ plasma cells/High-Power Field (HPF) for calculation of the IgG4+/IgG+ plasma cell ratio. Six patients (3% of the entire cohort) were diagnosed with IgG4-RD of the oral cavity based on histological evaluation. A major complaint at presentation was oral discomfort due to bulging mass. A mild to no increase in serum IgG4 was observed. Different patterns of organ involvement were associated with oral lesions. Five patients were treated with immunosuppressive therapy and two patients promptly responded to B-cell depletion with rituximab. Watchful waiting was decided in one patient with no major clinical symptoms. Involvement of the oral cavity is an infrequent manifestation of IgG4-RD but should be taken into consideration as a possible differential diagnosis of tumefactive or erosive lesions once neoplastic conditions are excluded. A histological examination of biopsy samples from the oral cavity represents the mainstay for diagnosis of IgG4-RD.
Psychometric Assessment of the European Health Literacy Survey Questionnaire (HLS-EU-Q16) for Arabic/French-Speaking Migrants in Southern Europe
Authors: Bas-Sarmiento Pilar , Poza-Méndez Miriam , Fernández-Gutiérrez Martina , González-Caballero Juan Luis , Falcón Romero María
Published: November 2020

Improving health literacy (HL) is critical for addressing health inequalities. Low literacy rates are believed to be more prevalent in ethnic minorities, which may have an impact on people’s health. For measures to be implemented in this regard, HL must be evaluated to obtain specific indicators. Our aim, therefore, was to develop a version of the European Health Literacy Survey Questionnaire (HLS-EU-Q16), which is recommended to be used with vulnerable populations, suited to Arabic/French-speaking migrants who reside in south-eastern Spain, and to explore its psychometric properties for assessing health literacy in this population. A cross-sectional survey was carried out in a convenient sample of 205 migrants. The structural validity was calculated by a confirmatory factorial analysis (CFA), which suggested appropriate adjustment indicators, and which indicated that the three-dimensional model is adequately adjusted to the data obtained in the study. The coefficient omega showed high internal consistency in the three HL dimensions (health care, disease prevention, and health promotion). Concurrent validity presented a significant correlation with the Newest Vital Sign test (r = 0.390; p < 0.001). The multigroup CFA showed that the heterogeneity of the sample used was not a problem for establishing the structural validity of the scale. The Arabic/French version showed good construct validity.
Coevolution, Dynamics and Allostery Conspire in Shaping Cooperative Binding and Signal Transmission of the SARS-CoV-2 Spike Protein with Human Angiotensin-Converting Enzyme 2
Authors: Verkhivker Gennady
Published: November 2020

Binding to the host receptor is a critical initial step for the coronavirus SARS-CoV-2 spike protein to enter into target cells and trigger virus transmission. A detailed dynamic and energetic view of the binding mechanisms underlying virus entry is not fully understood and the consensus around the molecular origins behind binding preferences of SARS-CoV-2 for binding with the angiotensin-converting enzyme 2 (ACE2) host receptor is yet to be established. In this work, we performed a comprehensive computational investigation in which sequence analysis and modeling of coevolutionary networks are combined with atomistic molecular simulations and comparative binding free energy analysis of the SARS-CoV and SARS-CoV-2 spike protein receptor binding domains with the ACE2 host receptor. Different from other computational studies, we systematically examine the molecular and energetic determinants of the binding mechanisms between SARS-CoV-2 and ACE2 proteins through the lens of coevolution, conformational dynamics, and allosteric interactions that conspire to drive binding interactions and signal transmission. Conformational dynamics analysis revealed the important differences in mobility of the binding interfaces for the SARS-CoV-2 spike protein that are not confined to several binding hotspots, but instead are broadly distributed across many interface residues. Through coevolutionary network analysis and dynamics-based alanine scanning, we established linkages between the binding energy hotspots and potential regulators and carriers of signal communication in the virus–host receptor complexes. The results of this study detailed a binding mechanism in which the energetics of the SARS-CoV-2 association with ACE2 may be determined by cumulative changes of a number of residues distributed across the entire binding interface. The central findings of this study are consistent with structural and biochemical data and highlight drug discovery challenges of inhibiting large and adaptive protein–protein interfaces responsible for virus entry and infection transmission.
Capturing and Understanding the Dynamics and Heterogeneity of Gene Expression in the Living Cell
Authors: Pascual-Ahuir Amparo , Fita-Torró Josep , Proft Markus
Published: November 2020

The regulation of gene expression is a fundamental process enabling cells to respond to internal and external stimuli or to execute developmental programs. Changes in gene expression are highly dynamic and depend on many intrinsic and extrinsic factors. In this review, we highlight the dynamic nature of transient gene expression changes to better understand cell physiology and development in general. We will start by comparing recent in vivo procedures to capture gene expression in real time. Intrinsic factors modulating gene expression dynamics will then be discussed, focusing on chromatin modifications. Furthermore, we will dissect how cell physiology or age impacts on dynamic gene regulation and especially discuss molecular insights into acquired transcriptional memory. Finally, this review will give an update on the mechanisms of heterogeneous gene expression among genetically identical individual cells. We will mainly focus on state-of-the-art developments in the yeast model but also cover higher eukaryotic systems.
Endocytosis and Trafficking of Heparan Sulfate Proteoglycans in Triple-Negative Breast Cancer Cells Unraveled with a Polycationic Peptide
Authors: Mandarini Elisabetta , Tollapi Eva , Zanchi Marta , Depau Lorenzo , Pini Alessandro , Brunetti Jlenia , Bracci Luisa , Falciani Chiara
Published: November 2020

The process of heparan sulfate proteoglycan (HSPG) internalization has been described as following different pathways. The tumor-specific branched NT4 peptide has been demonstrated to bind HSPGs on the plasma membrane and to be internalized in tumor cell lines. The polycationic peptide has been also shown to impair migration of different cancer cell lines in 2D and 3D models. Our hypothesis was that HSPG endocytosis could affect two important phenomena of cancer development: cell migration and nourishment. Using NT4 as an experimental tool mimicking heparin-binding ligands, we studied endocytosis and trafficking of HSPGs in a triple-negative human breast cancer cell line, MDA-MB-231. The peptide entered cells employing caveolin- or clathrin-dependent endocytosis and macropinocytosis, in line with what is already known about HSPGs. NT4 then localized in early and late endosomes in a time-dependent manner. The peptide had a negative effect on CDC42-activation triggered by EGF. The effect can be explained if we consider NT4 a competitive inhibitor of EGF on HS that impairs the co-receptor activity of the proteoglycan, reducing EGFR activation. Reduction of the invasive migratory phenotype of MDA-MB-231 induced by NT4 can be ascribed to this effect. RhoA activation was damped by EGF in MDA-MB-231. Indeed, EGF reduced RhoA-GTP and NT4 did not interfere with this receptor-mediated signaling. On the other hand, the peptide alone determined a small but solid reduction in active RhoA in breast cancer cells. This result supports the observation of few other studies, showing direct activation of the GTPase through HSPG, not mediated by EGF/EGFR.
AHR Signaling Interacting with Nutritional Factors Regulating the Expression of Markers in Vascular Inflammation and Atherogenesis
Authors: Dahlem Carla , Kado Sarah Y. , He Yi , Bein Keith , Wu Dalei , Haarmann-Stemmann Thomas , Kado Norman Y. , Vogel Christoph F. A.
Published: November 2020

There is strong evidence that exposure to fine particulate matter (PM2.5) and a high-fat diet (HFD) increase the risk of mortality from atherosclerotic cardiovascular diseases. Recent studies indicate that PM2.5 generated by combustion activates the Aryl Hydrocarbon Receptor (AHR) and inflammatory cytokines contributing to PM2.5-mediated atherogenesis. Here we investigate the effects of components of a HFD on PM-mediated activation of AHR in macrophages. Cells were treated with components of a HFD and AHR-activating PM and the expression of biomarkers of vascular inflammation was analyzed. The results show that glucose and triglyceride increase AHR-activity and PM2.5-mediated induction of cytochrome P450 (CYP)1A1 mRNA in macrophages. Cholesterol, fructose, and palmitic acid increased the PM- and AHR-mediated induction of proinflammatory cytokines in macrophages. Treatment with palmitic acid significantly increased the expression of inflammatory cytokines and markers of vascular injury in human aortic endothelial cells (HAEC) after treatment with PM2.5. The PM2.5-mediated activation of the atherogenic markers C-reactive protein (CRP) and S100A9, a damage-associated molecular pattern molecule, was found to be AHR-dependent and involved protein kinase A (PKA) and a CCAAT/enhancer-binding protein (C/EBP) binding element. This study identified nutritional factors interacting with AHR signaling and contributing to PM2.5-induced markers of atherogenesis and future cardiovascular risk.
Anti-Influenza Activity of the Ribonuclease Binase: Cellular Targets Detected by Quantitative Proteomics
Authors: Ulyanova Vera , Shah Mahmud Raihan , Laikov Alexander , Dudkina Elena , Markelova Maria , Mostafa Ahmed , Pleschka Stephan , Ilinskaya Olga
Published: November 2020

Unpredictable influenza pandemics, annual epidemics, and sporadic poultry-to-human avian influenza virus infections with high morbidity and mortality rates dictate a need to develop new antiviral approaches. Targeting cellular pathways and processes is a promising antiviral strategy shown to be effective regardless of viral subtypes or viral evolution of drug-resistant variants. Proteomics-based searches provide a tool to reveal the druggable stages of the virus life cycle and to understand the putative antiviral mode of action of the drug(s). Ribonucleases (RNases) of different origins not only demonstrate antiviral effects that are mediated by the direct RNase action on viral and cellular RNAs but can also exert their impact by signal transduction modulation. To our knowledge, studies of the RNase-affected cell proteome have not yet been performed. To reveal cellular targets and explain the mechanisms underlying the antiviral effect employed by the small extra-cellular ribonuclease of Bacillus pumilus (binase) both in vitro and in vivo, qualitative shotgun and quantitative targeted proteomic analyses of the influenza A virus (IAV) H1N1pdm09-infected A549 cells upon binase treatment were performed. We compared proteomes of mock-treated, binase-treated, virus-infected, and virus-infected binase-treated cells to determine the proteins affected by IAV and/or binase. In general, IAV demonstrated a downregulating strategy towards cellular proteins, while binase had an upregulating effect. With the help of bioinformatics approaches, coregulated cellular protein sets were defined and assigned to their biological function; a possible interconnection with the progression of viral infection was conferred. Most of the proteins downregulated by IAV (e.g., AKR1B1, AKR1C1, CCL5, PFN1, RAN, S100A4, etc.) belong to the processes of cellular metabolism, response to stimulus, biological regulation, and cellular localization. Upregulated proteins upon the binase treatment (e.g., AKR1B10, CAP1, HNRNPA2B1, PFN1, PPIA, YWHAB, etc.) are united by the processes of biological regulation, cellular localization, and immune and metabolic processes. The antiviral activity of binase against IAV was expressed by the inversion of virus-induced proteomic changes, resulting in the inhibition of virus-associated processes, including nuclear ribonucleoprotein export (NCL, NPM1, Nup205, and Bax proteins involved) and cytoskeleton remodeling (RDX, PFN1, and TUBB) induced by IAV at the middle stage of single-cycle infection in A549 cells. Modulation of the immune response could be involved as well. Overall, it seems possible that binase exerts its antiviral effects in multiple ways.
Aβ Beyond the AD Pathology: Exploring the Structural Response of Membranes Exposed to Nascent Aβ Peptide
Authors: Rondelli Valeria , Salmona Mario , Colombo Laura , Fragneto Giovanna , Fadda Giulia C. , Cantu’ Laura , Del Favero Elena
Published: November 2020

The physiological and pathological roles of nascent amyloid beta (Aβ) monomers are still debated in the literature. Their involvement in the pathological route of Alzheimer’s Disease (AD) is currently considered to be the most relevant, triggered by their aggregation into structured oligomers, a toxic species. Recently, it has been suggested that nascent Aβ, out of the amyloidogenic pathway, plays a physiological and protective role, especially in the brain. In this emerging perspective, the study presented in this paper investigated whether the organization of model membranes is affected by contact with Aβ in the nascent state, as monomers. The outcome is that, notably, the rules of engagement and the resulting structural outcome are dictated by the composition and properties of the membrane, rather than by the Aβ variant. Interestingly, Aβ monomers are observed to favor the tightening of adjacent complex membranes, thereby affecting a basic structural event for cell-cell adhesion and cell motility.
Priming with HDAC Inhibitors Sensitizes Ovarian Cancer Cells to Treatment with Cisplatin and HSP90 Inhibitors
Authors: Rodrigues Moita Ana J. , Bandolik Jan J. , Hansen Finn K. , Kurz Thomas , Hamacher Alexandra , Kassack Matthias U.
Published: November 2020

Ovarian cancer is the fifth leading cause of cancer deaths. Chemoresistance, particularly against platinum compounds, contributes to a poor prognosis. Histone deacetylase inhibitors (HDACi) and heat shock protein 90 inhibitors (HSP90i) are known to modulate pathways involved in chemoresistance. This study investigated the effects of HDACi (panobinostat, LMK235) and HSP90i (luminespib, HSP990) on the potency of cisplatin in ovarian cancer cell lines (A2780, CaOV3, OVCAR3 and cisplatin-resistant sub-clones). Preincubation with HDACi increased the cytotoxic potency of HSP90i, whereas preincubation with HSP90i had no effect. Preincubation with HSP90i or HDACi 48h prior to cisplatin enhanced the cisplatin potency significantly in all cell lines via apoptosis induction and affected the expression of apoptosis-relevant genes and proteins. For CaOV3CisR and A2780CisR, a preincubation with HDACi for 48–72 h led to complete reversal of cisplatin resistance. Furthermore, permanent presence of HDACi in sub-cytotoxic concentrations prevented the development of cisplatin resistance in A2780. However, triple combinations of HDACi, HSP90i and cisplatin were not superior to dual combinations. Overall, priming with HDACi sensitizes ovarian cancer cells to treatment with HSP90i or cisplatin and has an influence on the development of cisplatin resistance, both of which may contribute to an improved ovarian cancer treatment.
Ontogenesis of Aldehyde Pheromones in Two Synanthropic Bed Bug Species (Heteroptera: Cimicidae)
Authors: Dery Mark , Arriola Kyle , Lee Chow-Yang , Choe Dong-Hwan
Published: November 2020

Bed bugs produce volatile aldehydes that have alarm and aggregation functions. Using two synanthropic bed bug species, Cimex lectularius L. and C. hemipterus (Fabricius), developmental changes were examined for (E)-2-hexenal, 4-oxo-(E)-2-hexenal, (E)-2-octenal, and 4-oxo-(E)-2-octenal, the four most abundant aldehydes shared between the two species. Quantitative analyses of the aldehydes in the nymphal exuviae indicated that the aldehydes’ ratio remained similar throughout nymphal development. In general, (E)-2-octenal was most abundant, and (E)-2-hexenal and 4-oxo-(E)-2-octenal were least abundant. The fourth aldehyde, 4-oxo-(E)-2-hexenal, was present in intermediate quantities. The quantities and percent abundances of the aldehydes in nymphal exuviae and the adults were significantly different between C. lectularius and C. hemipterus. The ratio between (E)-2-hexenal and (E)-2-octenal was determined in adult male and female bed bugs of each species. Adult C. hemipterus had a higher proportion of (E)-2-hexenal than C. lectularius, while no sex differences were found. This work provides the first systematic quantification of four aldehydes [(E)-2-hexenal, 4-oxo-(E)-2-hexenal, (E)-2-octenal and 4-oxo-(E)-2-octenal] for all five of the nymphal stages for both C. lectularius and C. hemipterus.
Mechanical Evaluation of the Stability of One or Two Miniscrews under Loading on Synthetic Bone
Authors: Pradal Andrea , Nucci Ludovica , Derton Nicola , De Felice Maria Elena , Turco Gianluca , Grassia Vincenzo , Contardo Luca
Published: November 2020

The aim of the present study was to evaluate the primary stability of a two-miniscrew system inserted into a synthetic bone and to compare the system with the traditional one. Forty-five bi-layered polyurethane blocks were used to simulate maxillary cancellous and cortical bone densities. Samples were randomly assigned to three groups—one-miniscrew system (Group A, N = 23), two-miniscrew system (Group B, N = 22) and archwire-only (Group C, N = 10). A total of 67 new miniscrews were subdivided into Group A (23 singles) and Group B (22 couples). 30 mm of 19″ × 25″ archwires were tied to the miniscrew. The load was applied perpendicularly to the archwire. Maximum Load Value (MLV), Yield Load (YL) and Loosening Load (LL) were recorded for each group. The YL of Group B and C had a mean value respectively of 4.189 ± 0.390 N and 3.652 ± 0.064 N. The MLV of Group A, B and C had a mean value respectively of 1.871 ± 0.318N, of 4.843 ± 0.515 N and 4.150 ± 0.086 N. The LL of Group A and B had a mean value respectively of 1.871 ± 0.318 N and of 2.294 ± 0.333 N. A two- temporary anchorage device (TAD) system is on average stiffer than a one-TAD system under orthodontic loading.
Rapid Thermal Annealing of Double Perovskite Thin Films Formed by Polymer Assisted Deposition
Authors: Wang Hailin , Frontera Carlos , Martínez Benjamín , Mestres Narcís
Published: November 2020

The annealing process is an important step common to epitaxial films prepared by chemical solution deposition methods. It is so because the final microstructure of the films can be severely affected by the precise features of the thermal processing. In this work we analyze the structural and magnetic properties of double perovskite La2CoMnO6 and La2NiMnO6 epitaxial thin films prepared by polymer-assisted deposition (PAD) and crystallized by rapid thermal annealing (RTA). It is found that samples prepared by RTA have similar values of saturation magnetization and Curie temperature to their counterparts prepared by using conventional thermal annealing (CTA) processes, thus indicating low influence of the heating rates on the B-B’ site cationic ordering of the A2BB’O6 double perovskite structure. However, a deeper analysis of the magnetic behavior suggested some differences in the actual microstructure of the films.
Geometry Control of Source/Drain Electrodes in Organic Field-Effect Transistors by Electrohydrodynamic Inkjet Printing
Authors: Sleczkowski Piotr , Borkowski Michal , Zajaczkowska Hanna , Ulanski Jacek , Pisula Wojciech , Marszalek Tomasz
Published: November 2020

In this work we study the influence of dielectric surface and process parameters on the geometry and electrical properties of silver electrodes obtained by electrohydrodynamic inkjet printing. The cross-section and thickness of printed silver tracks are optimized to achieve a high conductivity. Silver overprints with cross-section larger than 4 μm2 and thickness larger than 90 nm exhibit the lowest resistivity. To fabricate electrodes in the desired geometry, a sufficient volume of ink is distributed on the surface by applying appropriate voltage amplitude. Single and multilayer overprints are incorporated as bottom contacts in bottom gate organic field-effect transistors (OFETs) with a semiconducting polymer as active layer. The multilayer electrodes result in significantly higher electrical parameters than single layer contacts, confirming the importance of a careful design of the printed tracks for reliable device performance. The results provide important design guidelines for precise fabrication of electrodes in electronic devices by electrohydrodynamic inkjet printing.
Study of Nano-Mechanical Performance of Pretreated Natural Fiber in LDPE Composite for Packaging Applications
Authors: Sulaiman Muhammad , Iqbal Tanveer , Yasin Saima , Mahmood Hamayoun , Shakeel Ahmad
Published: November 2020

In this work, the effects of chemical pretreatment and different fiber loadings on mechanical properties of the composites at the sub-micron scale were studied through nanoindentation. The composites were prepared by incorporating choline chloride (ChCl) pretreated rice husk waste (RHW) in low-density polyethylene (LDPE) using melt processing, followed by a thermal press technique. Nanoindentation experiments with quasi continuous stiffness mode (QCSM) were performed on the surface of produced composites with varying content of pretreated RHW (i.e., 10, 15, and 20 wt.%). Elastic modulus, hardness, and creep properties of fabricated composites were measured as a function of contact depth. The results confirmed the appreciable changes in hardness, elastic modulus, and creep rate of the composites. Compliance curves indicated that the composite having 20 wt.% of pretreated RHW loading was harder compared to that of the pure LDPE and other composite samples. The values of elastic modulus and hardness of the composite containing 20 wt.% pretreated RHW were increased by 4.1% and 24% as compared to that of the pure LDPE, respectively. The creep rate of 42.65 nm/s and change in depth of 650.42 nm were also noted for the composite with RHW loading of 20 wt.%, which showed the substantial effect of holding time at an applied peak load of 100 mN. We believe that the developed composite could be a promising biodegradable packaging material due to its good tribo-mechanical performance.
The Influence of Different Microstructure on Tensile Deformation and Acoustic Emission Behaviors of Low-Alloy Steel
Authors: Ma Wenbin , Luo Hongyun , Han Zhiyuan , Zhang Linyan , Yang Xiaoguang
Published: November 2020

The effect of different microstructures, obtained under different tempering temperatures on acoustic emission (AE) characteristics and source mechanisms during tensile deformation, was investigated in this study. Different heat treatments were carried out on hot-rolled low-alloy steels to obtain different microstructures (ferrite/pearlite, tempered martensite and tempered sorbite) and the AE was used to monitor the deformation and fracture process of samples of different types (BM, 200 °C tempered and 600 °C tempered). The results showed that the microstructure had different influences on the high amplitude burst-type signals and low amplitude continuous-type signals during the deformation and fracture process of low-alloy steels. In the 200 °C tempered sample, the continuous-type signals were enhanced by the high yield stress and dislocation velocity induced by the block of the lath martensite whose substructure was high-density dislocation. On the other hand, the interaction of the precipitates with the local dislocations increased the intensity of AE events, thus generating burst-type signals with higher amplitude in the 600 °C tempered samples.
A New Method for Modeling the Cyclic Structure of the Surface Microrelief of Titanium Alloy Ti6Al4V After Processing with Femtosecond Pulses
Authors: Hutsaylyuk Volodymyr , Lytvynenko Iaroslav , Maruschak Pavlo , Dzyura Volodymyr , Schnell Georg , Seitz Hermann
Published: November 2020

A method of computer modeling of a surface relief is proposed, and its efficiency and high accuracy are proven. The method is based on the mathematical model of surface microrelief, using titanium alloy Ti6Al4V subjected to processing with femtosecond pulses as an example. When modeling the examples of microrelief, changes in the shape of segments-cycles of the studied surface processes, which correspond to separate morphological formations, were taken into account. The proposed algorithms were realized in the form of a computer simulation program, which provides for a more accurate description of the geometry of the microrelief segments. It was proven that the new method significantly increases the efficiency of the analysis procedure and processing of signals that characterize self-organized relief formations.
The Examination of Hydrated Cement Paste Made of CEM III/A 42,5 N-LH/HSR/NA under the Influence of Urea Solution
Authors: Słomka-Słupik Barbara
Published: November 2020

The production of urea, used inter alia in agriculture, is increasing. Therefore, urea hydrolysis products are expected in groundwater. Due to lack of new research on the influence of urea on the technical condition of concrete structures, the changes that this compound may cause to hardened cement paste were initially check. After 11 months of immersion of hardened cement paste in 20% CO(NH2)2 solution, tests were conducted at different depths of penetration. A pH of 11.97 was recorded in the first layer with a thickness of 0.5 mm, and the pH of the innermost layer was 12.48. The decalcification process and the formation of predominantly secondary calcite in the edge layers were confirmed using XRD, SEM, and analytical methods. No nitrogen phase was formed, but the deeper was the layer, more wollastonite was present. Moreover, up to a depth of about 20 mm, the sample was mechanically weak-breakable by the force of the hands. The examination of the filtrate’s conductivity, leachable calcium content, and pH along the way of urea diffusion confirmed changes in the examined material. When analyzing the technical condition of concrete treated with urea, pH could be an indicator due to the possibility of buffer reactions.
The Design and Material Characterization of Reclaimed Asphalt Pavement Enriched Concrete for Construction Purposes
Authors: Pokorný Jaroslav , Ševčík Radek , Šál Jiří
Published: November 2020

Reclaimed asphalt pavement (RAP) is a valuable commodity originating during processes of road/highways rehabilitations, resurfacing in the cases of the revelation of underneath-placed layers. Removed material can be successfully recycled and utilized as a supplementing material for new hot asphalt mixes. However, its dosages are limited because of variations in properties of aged bitumen compared to fresh material and, thus, a significant amount of waste material is remaining as waste products. Nonetheless, this commodity may find usage in the construction industry that suffers from a shortage of high-quality and easily available aggregates. This work aimed to investigate the optimal substitution of mined natural aggregate with commonly available RAP in order to produce composites with the comparable mechanical performance of reference ordinary Portland concrete. The aggregate substitutions up to 100% with RAP have been studied with a combination of mechanical and analytical techniques. Obtained experimental data showed changes in the porous structure, mineralogy, and in the amount of formed cement-related hydration products that influenced the mechanical performance of produced composites. Composite with 10% of natural aggregate substitution with RAP has shown the strength class C16/20 after 28 days of water curing, according to the EN 206-1. Such innovative products could be utilized in the construction industry. The usage of waste RAP could contribute to preservation of our environment for future generations.
Antiviral Potential of Sea Urchin Aminated Spinochromes against Herpes Simplex Virus Type 1
Authors: Mishchenko Natalia P. , Krylova Natalia V. , Iunikhina Olga V. , Vasileva Elena A. , Likhatskaya Galina N. , Pislyagin Evgeny A. , Tarbeeva Darya V. , Dmitrenok Pavel S. , Fedoreyev Sergey A.
Published: November 2020

Herpes simplex virus type 1 (HSV-1) is one of the most prevalent pathogens worldwide requiring the search for new candidates for the creation of antiherpetic drugs. The ability of sea urchin spinochromes—echinochrome A (EchA) and its aminated analogues, echinamines A (EamA) and B (EamB)—to inhibit different stages of HSV-1 infection in Vero cells and to reduce the virus-induced production of reactive oxygen species (ROS) was studied. We found that spinochromes exhibited maximum antiviral activity when HSV-1 was pretreated with these compounds, which indicated the direct effect of spinochromes on HSV-1 particles. EamB and EamA both showed the highest virucidal activity by inhibiting the HSV-1 plaque formation, with a selectivity index (SI) of 80.6 and 50.3, respectively, and a reduction in HSV-1 attachment to cells (SI of 8.5 and 5.8, respectively). EamA and EamB considerably suppressed the early induction of ROS due to the virus infection. The ability of the tested compounds to directly bind to the surface glycoprotein, gD, of HSV-1 was established in silico. The dock score of EchA, EamA, and EamB was −4.75, −5.09, and −5.19 kcal/mol, respectively, which correlated with the SI of the virucidal action of these compounds and explained their ability to suppress the attachment and penetration of the virus into the cells.
Poly(meta/para-Terphenylene-Methyl Piperidinium)-Based Anion Exchange Membranes: The Effect of Backbone Structure in AEMFC Application
Authors: Mayadevi T. S. , Sung Seounghwa , Varghese Listo , Kim Tae-Hyun
Published: November 2020

A series of poly(meta/para-terphenylene-methyl piperidinium)-based anion exchange membranes devoid of benzylic sites or aryl ether bonds, that are vulnerable to degradation by hydroxide ions, are synthesized and investigated for their application as novel anion exchange membranes. The copolymers are composed of both linear para-terphenyl units and kink-structured meta-terphenyl units. The meta-connectivity in terphenyl units permits the polymer backbones to fold back, maximizing the interactions among the hydrocarbon polymer chains and enhancing the peripheral formation of ion aggregates, due to the free volume generated by the kink structure. The effects of the copolymer composition between para-terphenyl and meta-terphenyl on the morphology and the electrochemical and physicochemical properties of the corresponding polymer membranes are investigated.
Mining Public Mass Spectrometry Data to Characterize the Diversity and Ubiquity of P. aeruginosa Specialized Metabolites
Authors: Lybbert Andrew C. , Williams Justin L. , Raghuvanshi Ruma , Jones A. Daniel , Quinn Robert A.
Published: November 2020

Pseudomonas aeruginosa is a ubiquitous environmental bacterium that causes chronic infections of burn wounds and in the lungs of cystic fibrosis (CF) patients. Vital to its infection is a myriad of specialized metabolites that serve a variety of biological roles including quorum sensing, metal chelation and inhibition of other competing bacteria. This study employed newly available algorithms for searching individual tandem mass (MS/MS) spectra against the publicly available Global Natural Product Social Molecular Networking (GNPS) database to identify the chemical diversity of these compounds and their presence in environmental, laboratory and clinical samples. For initial characterization, the metabolomes of eight clinical isolates of P. aeruginosa were analyzed using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and uploaded to GNPS for spectral searching. Quinolones, rhamnolipids, phenazines and siderophores were identified and characterized; including the discovery of modified forms of the iron chelator pyochelin. Quinolones were highly diverse with the three base forms Pseudomonas quinolone signal 2-heptyl-3-hydroxy-4(1H)-quinolone (PQS), 4-heptyl-4(1H)-quinolone (HHQ) and 2-heptyl-4-quinolone-N-oxide (HQNO) having extensive variation in the length of their acyl chain from as small as 3 carbons to as large as 17. Rhamnolipids were limited to either one or two sugars with a limited set of fatty acyl chains, but the base lipid form without the rhamnose was also detected. These specialized metabolites were identified from diverse sources including ant-fungal mutualist dens, soil, plants, human teeth, feces, various lung mucus samples and cultured laboratory isolates. Their prevalence in fecal samples was particularly notable as P. aeruginosa is not known as a common colonizer of the human gut. The chemical diversity of the compounds identified, particularly the quinolones, demonstrates a broad spectrum of chemical properties within these the metabolite groups with likely significant impacts on their biological functions. Mining public data with GNPS enables a new approach to characterize the chemical diversity of biological organisms, which includes enabling the discovery of new chemistry from pathogenic bacteria.
Editorial for the Special Issue on Advances in Capacitive Sensors
Authors: López-Villanueva Juan A. , Rivadeneyra Almudena
Published: November 2020

Capacitive sensors are an active research area with multiple advantages and great applicability [...]
Structure and Rheological Properties of Glycerol Monolaurate-Induced Organogels: Influence of Hydrocolloids with Different Surface Charge
Authors: Zhao Runan , Wu Shan , Liu Shilin , Li Bin , Li Yan
Published: November 2020

Organogel (OG) is a class of semi-solid gel, entrapping organic solvent within a three-dimensional network, which is formed via the self-assembly of organogelators. In the present study, OG was produced by glycerol monolaurate (GML) as organogelator. The influence of hydrocolloids with different surface charges (chitosan (CS), konjac glucomannan (KGM) and sodium alginate (SA)) on the physiochemical properties of OG was investigated. Rheological studies demonstrated that OG and pure hydrocolloid solution showed shear-thinning behavior. After incorporation of the hydrocolloid, the initial viscosity of OG was lowered from ~100 Pa·s to <10 Pa·s, and then the viscosity increased to more than 100 Pa·s at a low shear rate of 0.1–0.2 s−1, which subsequently decreased with a higher shear rate. OGs in the presence of hydrocolloids still kept the thermo-sensitivity, while the melting point of the OG decreased with the incorporation of hydrocolloids. Hydrocolloid addition greatly shortened the gelling time of the OG from 21 min to less than 2 min. The presence of hydrocolloids increased the particle size of oil droplets in the molten OG. Some aggregation and coalescence of oil droplets occurred in the presence of positive-charged CS and negative-charged SA, respectively. After gelling, the gel structure converted into a biphasic-like network. Hydrocolloids improved the hardness, stickiness and the oil-holding stability of OGs by 18.8~33.9%. Overall, hydrocolloid incorporation could modulate the properties of OGs through their different surface charge properties. These novel OGs have potential as nutrient carriers or low-fat margarine alternatives and avoid the trans-fatty acid intake.
Rose (Rosa gallica) Petal Extract Suppress Proliferation, Migration, and Invasion of Human Lung Adenocarcinoma A549 Cells through via the EGFR Signaling Pathway
Authors: Lim Won-Chul , Choi Hyo-Kyung , Kim Kyung-Tack , Lim Tae-Gyu
Published: November 2020

We sought to investigate the effect of rose petal extract (RPE) on the proliferation, migration, and invasion of cancer cells. RPE significantly inhibited the growth of lung and colorectal cancer cell lines, with rapid suppression of A549 lung cancer cells at low concentrations. These effects occurred concomitantly with downregulation of the cell proliferation mediators PCNA, cyclin D1, and c-myc. In addition, RPE suppressed the migration and invasion of A549 cells by inhibiting the expression and activity of matrix metalloproteinase-2 and matrix metalloproteinase-9 (MMP-2 and -9). We hypothesize that the suppressive activity of RPE against lung cancer cell proliferation and early metastasis occurs via the EGFR-MAPK and mTOR-Akt signaling pathways. These early results highlight the significant potency of RPE, particularly for lung cancer cells, and warrant further investigation.
Antimicrobial Activity of Calixarenes and Related Macrocycles
Authors: Shurpik Dmitriy N. , Padnya Pavel L. , Stoikov Ivan I. , Cragg Peter J.
Published: November 2020

Calixarenes and related macrocycles have been shown to have antimicrobial effects since the 1950s. This review highlights the antimicrobial properties of almost 200 calixarenes, resorcinarenes, and pillararenes acting as prodrugs, drug delivery agents, and inhibitors of biofilm formation. A particularly important development in recent years has been the use of macrocycles with substituents terminating in sugars as biofilm inhibitors through their interactions with lectins. Although many examples exist where calixarenes encapsulate, or incorporate, antimicrobial drugs, one of the main factors to emerge is the ability of functionalized macrocycles to engage in multivalent interactions with proteins, and thus inhibit cellular aggregation.
Editorial for the “Green Chemistry” Section in the Journal Molecules: Focus on Solvents
Authors: Sherwood James
Published: November 2020

It is a pleasure to write this editorial highlighting some of the recent papers discussing solvents in the Green Chemistry section of Molecules [...]
Application of Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in Chiral Analysis
Authors: Shi Yingying , Du Mengying , Ren Juan , Zhang Kailing , Xu Yicheng , Kong Xianglei
Published: November 2020

In recent years, methods based on photodissociation in the gas phase have become powerful means in the field of chiral analysis. Among them, infrared multiple photon dissociation (IRMPD) spectroscopy is a very attractive one, since it can provide valuable spectral and structural information of chiral complexes in addition to chiral discrimination. Experimentally, the method can be fulfilled by the isolation of target diastereomeric ions in an ion trap followed by the irradiation of a tunable IR laser. Chiral analysis is performed by comparing the difference existing in the spectra of enantiomers. Combined with theoretical calculations, their structures can be further understood on the molecular scale. By now, lots of chiral molecules, including amino acids and peptides, have been studied with the method combined with theoretical calculations. This review summarizes the relative experimental results obtained, and discusses the limitation and prospects of the method.
Discovery of Oxazol-2-amine Derivatives as Potent Novel FLT3 Inhibitors
Authors: Kim Hyo Jeong , Ryu Hwani , Song Jie-Young , Hwang Sang-Gu , Jalde Shivakumar S. , Choi Hyun-Kyung , Ahn Jiyeon
Published: November 2020

Internal tandem duplication (ITD) of FMS-like tyrosine kinase 3 (FLT3) is the most common mutation in patients with acute myeloid leukemia (AML). FLT3-ITD+ induces constitutive activation of FLT3, causing an abnormally rapid proliferation of cancer cells. In this study, we identified novel FLT3 inhibitors and investigated 5-(4-fluorophenyl)-N-phenyloxazol-2-amine (compound 7; 7c) as candidates for the treatment of AML. The results showed that 7c inhibited the activities of FLT3 and mutated FLT3 in a cell-free kinase assay and Molm-13 and MV4-11 cells, as well as the proliferation of FLT3-ITD+ AML cells, increasing apoptosis. The anti-leukemic activity of 7c was confirmed by in vivo tumor growth inhibition in MV4-11 xenograft mice. Besides, 7c suppressed the expression of DNA damage repair genes. Combination treatment with 7c and olaparib (a poly (ADP-ribose) polymerase [PARP] inhibitor) synergistically inhibited cell proliferation in Molm-13 and MV4-11 cells. Our findings demonstrated that 7c is a therapeutic candidate targeting FLT3 for AML treatment and suggested that combination treatment with 7c and a PARP inhibitor may be an effective therapy regimen for FLT3-mutated AML.