bluuebunny/crossref_metadata_2025 huggingface dataset:
X-ray CT Investigation of Bond Mechanism in Reinforced SCC Elements of Different Placement Technology
Authors: Dybeł Piotr , Kucharska Milena
Published: October 2021

The effect of different placing methods of the self-compacting concrete (SCC) mix—from the top and from the bottom of the form—on the bond failure mechanism was investigated within the scope of this paper. Existing studies regarding the known mechanisms of bond failure do not consider the bottom-up method of concrete placing, which improves the quality of the concrete microstructure around reinforcing bars. Background tests were performed on panel elements with dimensions of 800 × 480 × 160 mm. Ribbed steel reinforcing bars with a diameter of 16 mm were used in the tests, which were placed horizontally in the forms. A pull-out method was used to investigate the bond strength. X-ray computed tomography (CT) was used as a novel and non-destructive technique that allowed a 3D insight into the bond between the rebar and the concrete after the ultimate bond stress had been reached. The results provided a clear description of the phenomena occurring during the fresh state of concrete in the vicinity of rebars (bleeding, plastic settlement, vertical density variation) and showed their significance for bond mechanisms. Finally, it was demonstrated that placing the mix from the bottom of the form resulted in the same bond failure mechanism for both bars located at the top and the bottom of the panel elements. This was translated into identical bond properties throughout the element with regard to bond stiffness and bond strength. It was found that the described and known mechanisms of bond failure are only an idealized description of the performance of the reinforcing bar-concrete joint. The analysis of the steel–concrete interface (SCI) imaging indicated that, in reality, the forming bond failure mechanisms were a complex process that could be affected by many factors.
Application of Positron Annihilation Spectroscopy in Accelerator-Based Irradiation Experiments
Authors: Krsjak Vladimir , Degmova Jarmila , Noga Pavol , Petriska Martin , Sojak Stanislav , Saro Matus , Neuhold Igor , Slugen Vladimir
Published: October 2021

Positron annihilation spectroscopy (PAS) is widely recognized as a powerful characterization technique in all types of radiation damage studies in nuclear materials. In the past, fission reactor irradiation of reactor pressure vessel (RPV) steels was a primary aim in most studies, while today’s applications of PAS in this field are centered around ion implantation experiments in advanced structural materials. These experiments use hydrogen, helium, heavy ions, and their combination to simulate various radiation environments of future nuclear reactors or nuclear research facilities. The spectrum of ion energies used ranges from a few tens of keV to tens or even hundreds of MeV in proton irradiation or spallation neutron source irradiation experiments. The variety of ion energies, irradiation temperatures, and other experimental conditions poses a major challenge to researchers, who often fail to successfully incorporate the lessons learned from their research. In this paper, we review and supplement recent PAS studies in which structural materials irradiated under a variety of irradiation conditions were investigated using positron annihilation spectroscopy. It summarizes the most important conclusions and lessons learned from the application of PAS in accelerator-based irradiation experiments.
Simultaneous Hetero- and Isovalent Doping as the Strategy for Improving Transport Properties of Proton Conductors Based on BaLaInO4
Authors: Tarasova Nataliia , Galisheva Anzhelika , Animitsa Irina , Belova Ksenia
Published: October 2021

This work focused on the novel electrochemical energy material with significantly improved electrical properties. The novel complex oxide Ba1.1La0.9In0.5Y0.5O3.95 with layered perovskite structure was obtained for the first time. It was proven that the simultaneous introduction of barium and yttrium ions in the structure of BaLaInO4 leads to the increase in the unit cell volume of up to 4% and water uptake by about three times. The increase in the proton conductivity values was both due to an increase in the proton concentration and their mobility. The sample Ba1.1La0.9In0.5Y0.5O3.95 was a nearly pure proton conductor below 400 °C. The co-doping strategy allowed us to increase the protonic conductivity values up to two orders of magnitude and it is the successful method for the design of novel protonic conductors based on the layered perovskites.
The Effect of Functionally Graded Materials on Temperature during Frictional Heating at Single Braking
Authors: Yevtushenko Aleksander , Topczewska Katarzyna , Zamojski Przemysław
Published: October 2021

A mathematical model for evaluation of the temperature mode of the disc–pad system during single braking is proposed. The model is based on the thermal problem of friction formulated for two semi-infinite bodies, compressed with pressure increasing over time while reducing the sliding velocity from the initial value to zero at the stop. The exact solution to this problem was obtained by means of Duhamel’s theorem. Validation of the solution was performed by achieving in special cases parameters of known solution to this problem with constant pressure and velocity (under uniform sliding). The results of the numerical calculations are presented for a selected friction pair, made of functionally graded materials with titanium alloy (disc) and aluminum alloy (pad) cores coated with ceramics graded toward friction surfaces. For the established values of the parameters such as the rise time in pressure and the FGM gradients, the ability to quickly obtain spatiotemporal temperature distributions in the disc and pad was presented. The influence of the variability of these parameters on the maximum temperature of the brake system was also investigated.
Fatigue Crack Initiation Change of Cast AZ91 Magnesium Alloy from Low to Very High Cycle Fatigue Region
Authors: Fintová Stanislava , Trško Libor , Chlup Zdeněk , Pastorek Filip , Kajánek Daniel , Kunz Ludvík
Published: October 2021

Fatigue tests were performed on the AZ91 cast alloy to identify the mechanisms of the fatigue crack initiation. In different fatigue regions, different mechanisms were observed. In the low and high cycle fatigue regions, slip markings formation accompanied with Mg17Al12 particles cracking were observed. Slip markings act as the fatigue crack initiation sites. The size and number of slip markings decreased with decreased stress amplitude applied. When slip markings formation was suppressed due to low stress amplitude, particle cracking became more important and the cracks continued to grow through the particle/solid solution interface. The change of the fatigue crack initiation mechanisms led the S-N curve to shift to the higher number of cycles to the fracture, demonstrated by its stepwise character. A lower fatigue limit of 60 MPa was determined at 20 kHz for 2 × 109 cycles compared to the 80 MPa determined at 60 Hz for 1 × 107 cycles.
The Influence of Hydroxyapatite and Alumina Particles on the Mechanical Properties and Corrosion Behavior of Mg-Zn Hybrid Composites for Implants
Authors: Nazirah Rashid , Zuhailawati Hussain , Siti Nur Hazwani Mohamad Rodzi , Abdullah Tuti Katrina , Azzura Ismail , Dhindaw Brij Kumar
Published: October 2021

Considering the necessity for a biodegradable implant alloy with good biocompatibility and mechanical strength, dual ceramic particles of HAP and Al2O3 were added to Mg-Zn alloy to produce a new hybrid composite using powder metallurgy. The paper reports the mechanical and corrosion behaviour of Mg-Zn/HAP/Al2O3 hybrid composites containing variable wt.% HAP and Al2O3 with 15 wt.% total ceramic content. The powders of Mg, Zn, Al2O3 and HAP were milled in a high-energy ball mill, and then compacted under 400 MPa and sintered at 300 °C. Density and compression strength increased with increasing Al2O3 content. HAP facilitated weight gain in Hanks balanced salt solution due to deposition of an apatite layer which promoted anodic behaviour with higher corrosion resistance. A hybrid composite of Mg alloy with 5 wt.% Al2O3 and 10 wt.% HAP displayed 153 MPa compressive strength, 1.37 mm/year corrosion resistance and bioactivity with a CA:P ratio of 1:1.55 and appears to be the most promising biodegradable implant material tested.
Limitation of Water-Soluble Tetrazolium Salt for the Cytocompatibility Evaluation of Zinc-Based Metals
Authors: Zhu Peijun , Chen Jiahao , Li Ping , Xu Shulan
Published: October 2021

Zinc (Zn) and its alloys have been regarded as promising biodegradable metals. The standardized cytotoxicity evaluation is a mandatory step to screen the biocompatibility of novel Zn and its alloys. Nevertheless, the suitability of the tetrazolium-based assay in the direct contact test for some metallic biomaterials (i.e., magnesium and manganese) is questionable. In this study, our results demonstrate an obvious inconsistency between qualitative observation via fluorescence staining and quantitative assessment using water-soluble tetrazolium salt (CCK-8). Subsequent experiments revealed that Zn and pre-treated Zn can directly convert tetrazolium salts to formazan, falsifying the cytotoxicity results. Therefore, we conclude that the CCK-8 assay is not suitable for evaluating the cytotoxicity of biodegradable Zn-based metals in the direct contact test.
Analysis of Particles’ Size and Degree of Distribution of a Wooden Filler in Wood–Polymer Composites
Authors: Michalska-Pożoga Iwona , Szczepanek Marcin
Published: October 2021

In wood–polymer composites (WPCs), regardless of the origin of the filler and its dimensions, their significant role in changing the properties of the WPCs’ material was found. Given the above, it is of particular importance to determine the size of the wood filler particles after their production. In addition, it is also important to determine the degree of distribution of the filler in the polymer matrix. The methodology for determining particle size and distribution is complex, even when using image analysis computer systems. This article presents the application and implementation of the multi-stage procedure for determining the size of wood particles and the degree of their distribution in the WPCs by means of image analysis using a numerical calculation program. The procedure, co-authored by the researchers at the Koszalin University of Technology and School of Mechanical and Materials Engineering, is published in the Industrial Crops and Products 2016 Comparing the results obtained for the PP/Lignocel 3-4 and PP/Lignocel C120 composites produced under highly different conditions in the target zone, it was found that the degree of the component distribution in the polymer matrix was significantly influenced by the width of the target gap. In both cases, the best homogeneity of the material and a good distribution of the filler in the polymer matrix was achieved within the parameters that have a mild effect on the material and allow it to stay longer in the plasticizing system, i.e., Ws = 1.0–3.0 mm with simultaneous impact medium to high speed in the range n = 26–40 rpm.
Suitability of Blending Rice Husk Ash and Calcined Clay for the Production of Self-Compacting Concrete: A Review
Authors: Muhammad Abubakar , Thienel Karl-Christian , Sposito Ricarda
Published: October 2021

One principal approach to achieve self-compacting properties is the increased amount of finer constituents of the mixture. This, in turn, increases cement consumption leading to higher greenhouse gas emissions. Pozzolanic materials, like rice husk ash or calcined highly kaolinitic clays, have gained increased attention as supplementary cementitious materials in self-compacting concrete production. These materials could be viable alternative supplementary cementitious materials for sub-Saharan Africa which already lacks fly ash, slag and silica fume. This current effort reviews the impact of rice husk ash and calcined clays for the production of self-compacting concrete. Special focus is on their impact on rheological, mechanical and durability properties of self-compacting concrete. Rice husk ash and, in particular, calcined highly kaolinitic clays are introduced as technical and cost-effective supplementary materials for use in self-compacting. The review disclosed a lack of knowledge when it comes to the use of low-kaolinitic calcined clays as sole SCM or together with rice husk ash, which could be a very promising combination for e.g., several countries in Africa. Further studies are needed on the rheological properties, shrinkage, creep, and durability of self-compacting concrete produced with other calcined common clays and their blend with rice husk ash.
Marine-Derived Compounds for the Potential Treatment of Glucocorticoid Resistance in Severe Asthma
Authors: Ghiciuc Cristina Mihaela , Vicovan Andrei Gheorghe , Stafie Celina Silvia , Antoniu Sabina Antonela , Postolache Paraschiva
Published: October 2021

One of the challenges to the management of severe asthma is the poor therapeutic response to treatment with glucocorticosteroids. Compounds derived from marine sources have received increasing interest in recent years due to their prominent biologically active properties for biomedical applications, as well as their sustainability and safety for drug development. Based on the pathobiological features associated with glucocorticoid resistance in severe asthma, many studies have already described many glucocorticoid resistance mechanisms as potential therapeutic targets. On the other hand, in the last decade, many studies described the potentially anti-inflammatory effects of marine-derived biologically active compounds. Analyzing the underlying anti-inflammatory mechanisms of action for these marine-derived biologically active compounds, we observed some of the targeted pathogenic molecular mechanisms similar to those described in glucocorticoid (GC) resistant asthma. This article gathers the marine-derived compounds targeting pathogenic molecular mechanism involved in GC resistant asthma and provides a basis for the development of effective marine-derived drugs.
Predictors of Atrial Fibrillation Recurrences after a First Radiofrequency Catheter Ablation Intervention for Paroxysmal Atrial Fibrillation—Experience of a Low Volume Ablation Centre
Authors: Matei Lavinia-Lucia , Siliște Călin , Stoica Sebastian , Bejan Gabriel-Cristian , Ghilencea Liviu-Nicolae , Vinereanu Dragoș
Published: October 2021

Background and Objectives: Atrial fibrillation recurrences (AFR) after radiofrequency catheter ablation (RFCA) are not uncommon, up to 65% of patients having relapses in the first year. However, current data are based mainly on studies from centres with a large volume of ablations, as they include technically inhomogeneous interventions, and populations with different types of AF. The aim of our study was to assess and stratify the risk at 6 and 12 months for AFR after a single RFCA, in patients with paroxysmal AF, in a centre with low volume activity. Materials and Methods: We enrolled 40 patients who underwent an initial RFCA, followed by continuous 48 h ECG monitoring at 1, 3, 6, and 12 months. Patients self-monitored their cardiac activity by random daily radial pulse palpation or in the presence of palpitations. Results: Ten independent predictors for late AFR were identified, and a 6-month risk score was computed using three of them: AFR duration in the first month, number of AFR between 1 and 3 months, and supraventricular ectopics per 24 h at 6 months. The score can explain 59% of the AFR (p = 0.001). A further 12-month assessment identified three independent predictors. The presence of AFR between 6–12 months is the most important of them (OR = 23.11, 95% CI = 3.87–137.83, p = 0.001), explaining 45% of AFR over 1 year. The risk scores at 6 and 12 months were internally validated. Conclusions: The 6-month score proved to be a useful tool in guiding further strategy for patients with a low risk, while a longer follow-up to 12 months may avoid unnecessary early reinterventions.
Flexohand: A Hybrid Exoskeleton-Based Novel Hand Rehabilitation Device
Authors: Ahmed Tanvir , Assad-Uz-Zaman Md , Islam Md , Gottheardt Drew , McGonigle Erin , Brahmi Brahim , Rahman Mohammad
Published: October 2021

Home-based hand rehabilitation has excellent potential as it may reduce patient dropouts due to travel, transportation, and insurance constraints. Being able to perform exercises precisely, accurately, and in a repetitive manner, robot-aided portable devices have gained much traction these days in hand rehabilitation. However, existing devices fall short in allowing some key natural movements, which are crucial to achieving full potential motion in performing activities of daily living. Firstly, existing exoskeleton type devices often restrict or suffer from uncontrolled wrist and forearm movement during finger exercises due to their setup of actuation and transmission mechanism. Secondly, they restrict passive metacarpophalangeal (MCP) abduction–adduction during MCP flexion–extension motion. Lastly, though a few of them can provide isolated finger ROM, none of them can offer isolated joint motion as per therapeutic need. All these natural movements are crucial for effective robot-aided finger rehabilitation. To bridge these gaps, in this research, a novel lightweight robotic device, namely “Flexohand”, has been developed for hand rehabilitation. A novel compliant mechanism has been developed and included in Flexohand to compensate for the passive movement of MCP abduction–adduction. The isolated and composite digit joint flexion–extension has been achieved by integrating a combination of sliding locks for IP joints and a wire locking system for finger MCP joints. Besides, the intuitive design of Flexohand inherently allows wrist joint movement during hand digit exercises. Experiments of passive exercises involving isolated joint motion, composite joint motions of individual fingers, and isolated joint motion of multiple fingers have been conducted to validate the functionality of the developed device. The experimental results show that Flexohand addresses the limitations of existing robot-aided hand rehabilitation devices.
Real-Time Power Analysis of Smart Sensors Using Advanced Debugging Methods
Authors: Gis Daniel , Büscher Nils , Haubelt Christian
Published: October 2021

To achieve a good estimate of the power consumption of an embedded system, including its firmware, is a crucial step in the development of systems with a severely constrained power supply. This is especially true for cases where the device is powered by a small battery or through energy harvesting. The state-of-the-art approaches to measure or estimate the power consumption are formal methods, using power debugging tools with the real hardware or simulation based estimations. In the work at hand, a novel method to estimate the power consumption is proposed, it utilizes the sensor-in-the-loop architecture and enhancing it with a power estimation functionality. The proposed method combines the benefits of former methods, allowing for run-time analysis of the power-consumption in a reproducible way using recorded data without the need for power debugging hardware. In the experiments it is shown that, once set up, the proposed method is able to estimate the power consumption with an error of less than 1% compared to a power debugging hardware. Thus, the proposed method provides a reliable and fast way to estimate the systems power consumption.
Improved Biomedical Properties of Polydopamine-Coated Carbon Nanotubes
Authors: Demirci Sahin , Sahiner Mehtap , Suner Selin Sagbas , Sahiner Nurettin
Published: October 2021

Carbon nanotubes (CNTs) due to their outstanding mechanical, thermal, chemical, and optical properties were utilized as a base material and were coated with polydopamine (PDA) (PDA@CNT) via the simple self-polymerization of dopamine (DA). Then, PDA@CNT coatings of up to five layers were examined for potential biomedical applications. The success of multiple coating of CNTs with PDA was confirmed via increased weight loss values with the increased number of PDA coatings of CNTs at 500 °C by thermogravimetric analysis. The surface area of bare CNTs was measured as 263.9 m2/g and decreased to 197.0 m2/g after a 5th coating with PDA. Furthermore, the antioxidant activities of CNT and PDA@CNTs were determined via total flavonoid content (TFC), total phenol content (TPC), and Fe(III)-reducing antioxidant power (FRAP) tests, revealing the increased antioxidant ability of PDA@CNTs with the increasing numbers of PDA coatings. Moreover, a higher inhibition percentage of the activity of the alpha-glucosidase enzyme with 95.1 ± 2.9% inhibition at 6 mg/mL PDA-1st@CNTs concentration was found. The CNT and PDA@CNTs exhibited blood compatibility, less than a 2.5% hemolysis ratio, and more than 85% blood clotting indexes. The minimum inhibition concentration (MIC) of PDA-5th@CNTs against E. coli and S. aureus bacteria was determined as 10 mg/mL.
Early Ordovician Age of Fluorite-Rare-Metal Deposits at the Voznesensky Ore District (Far East, Russia): Evidence from Zircon and Cassiterite U–Pb and Fluorite Sm–Nd Dating Results
Authors: Rizvanova Nailya G. , Alenicheva Antonina A. , Skublov Sergey G. , Sergeev Sergey A. , Lykhin Dmitriy A.
Published: October 2021

This article presents new isotope-geochronological results for the granites of the Voznesensky ore district (southeastern part of the Khanka massif). The granites are associated with extensive rare-metal–fluorite, tin and tantalum mineralization. Despite the numerous published results of Rb–Sr, Sm–Nd and U–Pb dating of ore-bearing granites and associated ores, the issues of age correlation and the genetic relationship of igneous rocks and mineralization remain unclear. U–Pb zircon SHRIMP dating reveals synchronous ages of 478 ± 4 Ma and 481 ± 7 Ma for two samples of biotite leucogranites as the age of magmatic crystallization of the Voznesensky granites. The composition of the studied zircon demonstrates the typical features of magmatic zircon and has the typical features of zircon exposed to fluids at the late/post-magmatic stage. Sm–Nd ID-TIMS dating of the fluorite of the Voznesenskoe deposit yields an age of 477 ± 9 Ma, and U–Pb ID-TIMS dating of cassiterite from the Yaroslavskoe and Chapaevskoe tin deposits yields an age of 480 ± 4 Ma, which confirms the direct genetic and age relationship of ore formation with granite magmatism.
Click-Derived Triazoles and Triazolylidenes of Manganese for Electrocatalytic Reduction of CO2
Authors: Friães Sofia , Realista Sara , Gomes Clara S. B. , Martinho Paulo N. , Royo Beatriz
Published: October 2021

A series of new fac-[Mn(L)(CO)3Br] complexes where L is a bidentate chelating ligand containing mixed mesoionic triazolylidene-pyridine (MIC^py, 1), triazolylidene-triazole (MIC^trz, 2), and triazole-pyridine (trz^py, 3) ligands have been prepared and fully characterized, including the single crystal X-ray diffraction studies of 1 and 2. The abilities of 1–3 and complex fac-[Mn(MIC^MIC)(CO)3Br] (4) to catalyze the electroreduction of CO2 has been assessed for the first time. It was found that all complexes displayed a current increase under CO2 atmosphere, being 3 and 4 the most active complexes. Complex 3, bearing a N^N-based ligand exhibited a good efficiency and an excellent selectivity for reducing CO2 to CO in the presence of 1.0 M of water, at low overpotential. Interestingly, complex 4 containing the strongly electron donating di-imidazolylidene ligand exhibited comparable activity to 3, when the experiments were performed in neat acetonitrile at slightly higher overpotential (−1.86 vs. −2.14 V).
Oxy-Polybrominated Diphenyl Ethers from the Indonesian Marine Sponge, Lamellodysidea herbacea: X-ray, SAR, and Computational Studies
Authors: Hanif Novriyandi , Tyas Trianda Ayuning , Hidayati Lestari , Dinelsa Fabians Faisal , Provita Dian , Kinnary Nyimas Ratna , Prasetiawan Fauzi Muhamad , Khalik Gibral Abdul , Mubarok Zaki , Tohir Dudi , Setiawan Andi , Farid Muhamad , Kurnianda Viqqi , Murni Anggia , de Voogd Nicole J. , Tanaka Junichi
Published: October 2021

Polybrominated diphenyl ether (PBDE) compounds, derived from marine organisms, originate from symbiosis between marine sponges and cyanobacteria or bacteria. PBDEs have broad biological spectra; therefore, we analyzed structure and activity relationships of PBDEs to determine their potential as anticancer or antibacterial lead structures, through reactions and computational studies. Six known PBDEs (1–6) were isolated from the sponge, Lamellodysdiea herbacea; 13C NMR data for compound 6 are reported for the first time and their assignments are confirmed by their theoretical 13C NMR chemical shifts (RMSE < 4.0 ppm). Methylation and acetylation of 1 (2, 3, 4, 5-tetrabromo-6-(3′, 5′-dibromo-2′-hydroxyphenoxy) phenol) at the phenol functional group gave seven molecules (7–13), of which 10, 12, and 13 were new. New crystal structures for 8 and 9 are also reported. Debromination carried out on 1 produced nine compounds (1, 2, 14, 16–18, 20, 23, and 26) of which 18 was new. Debromination product 16 showed a significant IC50 8.65 ± 1.11; 8.11 ± 1.43 µM against human embryonic kidney (HEK293T) cells. Compounds 1 and 16 exhibited antibacterial activity against Gram-positive Staphylococcus aureus and Gram-negative Klebsiella pneumoniae with MID 0.078 µg/disk. The number of four bromine atoms and two phenol functional groups are important for antibacterial activity (S. aureus and K. pneumoniae) and cytotoxicity (HEK293T). The result was supported by analysis of frontier molecular orbitals (FMOs). We also propose possible products of acetylation and debromination using analysis of FMOs and electrostatic charges and we confirm the experimental result.
The Flow of Blood-Based Hybrid Nanofluids with Couple Stresses by the Convergent and Divergent Channel for the Applications of Drug Delivery
Authors: Saeed Anwar , Khan Niqab , Gul Taza , Kumam Wiyada , Alghamdi Wajdi , Kumam Poom
Published: October 2021

This research work aims to scrutinize the mathematical model for the hybrid nanofluid flow in a converging and diverging channel. Titanium dioxide and silver TiO2 and Ag are considered as solid nanoparticles while blood is considered a base solvent. The couple-stress fluid model is essentially use to describe the blood flow. Therefore, the couple-stress term was used in the recent study with the existence of a magnetic field and a Darcy–Forchheiner porous medium. The heat absorption/omission and radiation terms were also included in the energy equation for the sustainability of drug delivery. An endeavor was made to link the recent study with the applications of drug delivery. It has already been revealed by the available literature that the combination of TiO2 with any other metal can destroy cancer cells more effectively than TiO2 separately. Both the walls are stretchable/shrinkable, whereas flow is caused by a source or sink with α as a converging/diverging parameter. Governing equations were altered into the system of non-linear coupled equations by using the similarity variables. The homotopy analysis method (HAM) was applied to obtain the preferred solution. The influences of the modeled parameters have been calculated and displayed. The confrontation of wall shear stress and hybrid nanofluid flow increased as the couple stress parameter rose, which indicates an improvement in the stability of the base fluid (blood). The percentage (%) increase in the heat transfer rate with the variation of nanoparticle volume fraction was also calculated numerically and discussed theoretically.
Validation of the Antioxidant and Enzyme Inhibitory Potential of Selected Triterpenes Using In Vitro and In Silico Studies, and the Evaluation of Their ADMET Properties
Authors: Mamadalieva Nilufar Z. , Youssef Fadia S. , Hussain Hidayat , Zengin Gokhan , Mollica Adriano , Al Musayeib Nawal M. , Ashour Mohamed L. , Westermann Bernhard , Wessjohann Ludger A.
Published: October 2021

The antioxidant and enzyme inhibitory potential of fifteen cycloartane-type triterpenes’ potentials were investigated using different assays. In the phosphomolybdenum method, cycloalpioside D (6) (4.05 mmol TEs/g) showed the highest activity. In 1,1-diphenyl-2-picrylhydrazyl (DPPH*) radical and 2,2′-azino-bis(3-ethylbenzothiazoline)-6-sulfonic acid (ABTS) cation radical scavenging assays, cycloorbicoside A-7-monoacetate (2) (5.03 mg TE/g) and cycloorbicoside B (10) (10.60 mg TE/g) displayed the highest activities, respectively. Oleanolic acid (14) (51.45 mg TE/g) and 3-O-β-d-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol 7-monoacetate (4) (13.25 mg TE/g) revealed the highest reducing power in cupric ion-reducing activity (CUPRAC) and ferric-reducing antioxidant power (FRAP) assays, respectively. In metal-chelating activity on ferrous ions, compound 2 displayed the highest activity estimated by 41.00 mg EDTAE/g (EDTA equivalents/g). The tested triterpenes showed promising AChE and BChE inhibitory potential with 3-O-β-d-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol 2′,3′,4′,7-tetraacetate (3), exhibiting the highest inhibitory activity as estimated from 5.64 and 5.19 mg GALAE/g (galantamine equivalent/g), respectively. Compound 2 displayed the most potent tyrosinase inhibitory activity (113.24 mg KAE/g (mg kojic acid equivalent/g)). Regarding α-amylase and α-glucosidase inhibition, 3-O-β-d-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol (5) (0.55 mmol ACAE/g) and compound 3 (25.18 mmol ACAE/g) exerted the highest activities, respectively. In silico studies focused on compounds 2, 6, and 7 as inhibitors of tyrosinase revealed that compound 2 displayed a good ranking score (−7.069 kcal/mole) and also that the ΔG free-binding energy was the highest among the three selected compounds. From the ADMET/TOPKAT prediction, it can be concluded that compounds 4 and 5 displayed the best pharmacokinetic and pharmacodynamic behavior, with considerable activity in most of the examined assays.
Antimicrobial and Anticancer Application of Silver(I) Dipeptide Complexes
Authors: Kuzderová Gabriela , Rendošová Michaela , Gyepes Róbert , Sovová Simona , Sabolová Danica , Vilková Mária , Olejníková Petra , Bačová Ivana , Stokič Simonida , Kello Martin , Vargová Zuzana
Published: October 2021

Three silver(I) dipeptide complexes [Ag(GlyGly)]n(NO3)n (AgGlyGly), [Ag2(GlyAla)(NO3)2]n (AgGlyAla) and [Ag2(HGlyAsp)(NO3)]n (AgGlyAsp) were prepared, investigated and characterized by vibrational spectroscopy (mid-IR), elemental and thermogravimetric analysis and mass spectrometry. For AgGlyGly, X-ray crystallography was also performed. Their stability in biological testing media was verified by time-dependent NMR measurements. Their in vitro antimicrobial activity was evaluated against selected pathogenic microorganisms. Moreover, the influence of silver(I) dipeptide complexes on microbial film formation was described. Further, the cytotoxicity of the complexes against selected cancer cells (BLM, MDA-MB-231, HeLa, HCT116, MCF-7 and Jurkat) and fibroblasts (BJ-5ta) using a colorimetric MTS assay was tested, and the selectivity index (SI) was identified. The mechanism of action of Ag(I) dipeptide complexes was elucidated and discussed by the study in terms of their binding affinity toward the CT DNA, the ability to cleave the DNA and the ability to influence numbers of cells within each cell cycle phase. The new silver(I) dipeptide complexes are able to bind into DNA by noncovalent interaction, and the topoisomerase I inhibition study showed that the studied complexes inhibit its activity at a concentration of 15 μM.
Fruit Wastes as a Valuable Source of Value-Added Compounds: A Collaborative Perspective
Authors: Lucarini Massimo , Durazzo Alessandra , Bernini Roberta , Campo Margherita , Vita Chiara , Souto Eliana B. , Lombardi-Boccia Ginevra , Ramadan Mohamed Fawzy , Santini Antonello , Romani Annalisa
Published: October 2021

The by-products/wastes from agro-food and in particular the fruit industry represents from one side an issue since they cannot be disposed as such for their impact on the environment but they need to be treated as a waste. However, on the other side, they are a source of bioactive healthy useful compounds which can be recovered and be the starting material for other products in the view of sustainability and a circular economy addressing the global goal of “zero waste” in the environment. An updated view of the state of art of the research on fruit wastes is here given under this perspective. The topic is defined as follows: (i) literature quantitative analysis of fruit waste/by-products, with particular regards to linkage with health; (ii) an updated view of conventional and innovative extraction procedures; (iii) high-value added compounds obtained from fruit waste and associated biological properties; (iv) fruit wastes presence and relevance in updated databases. Nowadays, the investigation of the main components and related bioactivities of fruit wastes is being continuously explored throughout integrated and multidisciplinary approaches towards the exploitation of emerging fields of application which may allow to create economic, environmental, and social value in the design of an eco-friendly approach of the fruit wastes.
Chemical Elicitors-Induced Variation in Cellular Biomass, Biosynthesis of Secondary Cell Products, and Antioxidant System in Callus Cultures of Fagonia indica
Authors: Khan Habiba , Khan Tariq , Ahmad Nisar , Zaman Gouhar , Khan Taimoor , Ahmad Waqar , Batool Sannia , Hussain Zahid , Drouet Samantha , Hano Christophe , Abbasi Bilal Haider
Published: October 2021

Fagonia indica is a rich source of pharmacologically active compounds. The variation in the metabolites of interest is one of the major issues in wild plants due to different environmental factors. The addition of chemical elicitors is one of the effective strategies to trigger the biosynthetic pathways for the release of a higher quantity of bioactive compounds. Therefore, this study was designed to investigate the effects of chemical elicitors, aluminum chloride (AlCl3) and cadmium chloride (CdCl2), on the biosynthesis of secondary metabolites, biomass, and the antioxidant system in callus cultures of F. indica. Among various treatments applied, AlCl3 (0.1 mM concentration) improved the highest in biomass accumulation (fresh weight (FW): 404.72 g/L) as compared to the control (FW: 269.85 g/L). The exposure of cultures to AlCl3 (0.01 mM) enhanced the accumulation of secondary metabolites, and the total phenolic contents (TPCs: 7.74 mg/g DW) and total flavonoid contents (TFCs: 1.07 mg/g DW) were higher than those of cultures exposed to CdCl2 (0.01 mM) with content levels (TPC: 5.60 and TFC: 0.97 mg/g) as compared to the control (TPC: 4.16 and TFC: 0.42 mg/g DW). Likewise, AlCl3 and CdCl2 also promoted the free radical scavenging activity (FRSA; 89.4% and 90%, respectively) at a concentration of 0.01 mM, as compared to the control (65.48%). For instance, the quantification of metabolites via high-performance liquid chromatography (HPLC) revealed an optimum production of myricetin (1.20 mg/g), apigenin (0.83 mg/g), isorhamnetin (0.70 mg/g), and kaempferol (0.64 mg/g). Cultures grown in the presence of AlCl3 triggered higher quantities of secondary metabolites than those grown in the presence of CdCl2 (0.79, 0.74, 0.57, and 0.67 mg/g). Moreover, AlCl3 at 0.1 mM enhanced the biosynthesis of superoxide dismutase (SOD: 0.08 nM/min/mg-FW) and peroxidase enzymes (POD: 2.37 nM/min/mg-FW), while CdCl2 resulted in an SOD activity up to 0.06 nM/min/mg-FW and POD: 2.72 nM/min/mg-FW. From these results, it is clear that AlCl3 is a better elicitor in terms of a higher and uniform productivity of biomass, secondary cell products, and antioxidant enzymes compared to CdCl2 and the control. It is possible to scale the current strategy to a bioreactor for a higher productivity of metabolites of interest for various pharmaceutical industries.
Extraction and Stabilization of Betalains from Beetroot (Beta vulgaris) Wastes Using Deep Eutectic Solvents
Authors: Hernández-Aguirre Omar A. , Muro Claudia , Hernández-Acosta Evelyn , Alvarado Yolanda , Díaz-Nava María del Carmen
Published: October 2021

Deep eutectic solvents (DES) using magnesium chloride hexahydrate [MgCl2·6H2O] and urea [U] proportions (1:1) and (2:1), were prepared for their use as extracting and stabilizer agents for red and violet betalains from beetroot (Beta vulgaris) waste. The synthetized DES [MgCl2·6H2O] [U] showed similar properties to eutectic mixtures, such as, liquid phase, low melting points and conductivity, thermal stability, and variable viscosity. In turn, betalain DES extracts (2:1) exhibited compatibility in the extraction and recovery of betalains from beetroot wastes, showing a betalain content comparable to that of betalain extracts. Betalain stability was determined by degradation tests; the exposure conditions were visible light (12 h), molecular oxygen from atmospheric air and environmental temperature (20–27 °C) for 40 days. The kinetic curves of the betalain degradation of water samples depicted a first-order model, indicating the alteration of a violet colouration of betalains from beetroot waste for 5–7 days. However, betalains from DES extracts were kept under visible light for 150 days, and for 340 days in storage (amber vessels), achieving a stability of 75% in comparison with initial beet extracts.
Phenolics from Medicinal and Aromatic Plants: Characterisation and Potential as Biostimulants and Bioprotectants
Authors: Kisiriko Musa , Anastasiadi Maria , Terry Leon Alexander , Yasri Abdelaziz , Beale Michael Henry , Ward Jane Louise
Published: October 2021

Biostimulants and bioprotectants are derived from natural sources and can enhance crop growth and protect crops from pests and pathogens, respectively. They have attracted much attention in the past few decades and contribute to a more sustainable and eco-friendly agricultural system. Despite not having been explored extensively, plant extracts and their component secondary metabolites, including phenolic compounds have been shown to have biostimulant effects on plants, including enhancement of growth attributes and yield, as well as bioprotectant effects, including antimicrobial, insecticidal, herbicidal and nematicidal effects. Medicinal and aromatic plants are widely distributed all over the world and are abundant sources of phenolic compounds. This paper reviews the characterisation of phenolic compounds and extracts from medicinal and aromatic plants, including a brief overview of their extraction, phytochemical screening and methods of analysis. The second part of the review highlights the potential for use of phenolic compounds and extracts as biostimulants and bioprotectants in agriculture as well as some of the challenges related to their use.
Resveratrol Hinders Postovulatory Aging by Modulating Oxidative Stress in Porcine Oocytes
Authors: Abbasi Benazir , Dong Yan , Rui Rong
Published: October 2021

Postovulatory aging of the mammalian oocytes causes deterioration of oocytes through several factors including oxidative stress. Keeping that in mind, we aimed to investigate the potential of a well-known antioxidant, resveratrol (RV), to evaluate the adverse effects of postovulatory aging in porcine oocytes. After in vitro maturation (IVM), a group of (25–30) oocytes (in three replicates) were exposed to 0, 1, 2, and 4 μmol/L of RV, respectively. The results revealed that the first polar body (PB1) extrusion rate of the oocytes significantly increased when the RV concentration reached up to 2 μmol/L (p < 0.05). Considering optimum RV concentration of 2 μmol/L, the potential of RV was evaluated in oocytes aged for 24 and 48 h. We used fluorescence microscopy to detect the relative level of reactive oxygen species (ROS), while GHS contents were measured through the enzymatic method. Our results revealed that aged groups (24 h and 48 h) treated with RV (2 μmol/L) showed higher (p < 0.05) ROS fluorescence intensity than the control group, but lower (p < 0.05) than untreated aged groups. The GSH content in untreated aged groups (24 h and 48 h) was lower (p < 0.05) than RV-treated groups, but both groups showed higher levels than the control. Similarly, the relative expression of the genes involved in antioxidant activity (CAT, GPXGSH-Px, and SOD1) in RV-treated groups was lower (p < 0.05) as compared to the control group but higher than that of untreated aged groups. Moreover, the relative mRNA expression of caspase-3 and Bax in RV-treated groups was higher (p < 0.05) than the control group but lower than untreated groups. Furthermore, the expression of Bcl-2 in the RV-treated group was significantly lower than control but higher than untreated aged groups. Taken together, our findings revealed that the RV can increase the expression of antioxidant genes by decreasing the level of ROS, and its potent antiapoptotic effects resisted against the decline in mitochondrial membrane potential in aged oocytes.
Hydrolysis and Enantiodiscrimination of (R)- and (S)-Oxazepam Hemisuccinate by Methylated β-Cyclodextrins: An NMR Investigation
Authors: Cesari Andrea , Balzano Federica , Uccello Barretta Gloria , Recchimurzo Alessandra
Published: October 2021

Partially and exhaustively methylated β-cyclodextrins [(2-methyl)-β-CD (MCD), heptakis-(2,6-di-O-methyl)-β-CD (DIMEB), and heptakis-(2,3,6-tri-O-methyl)-β-CD (TRIMEB)] have been compared in the hydrolysis and enantiodiscrimination of benzodiazepine derivative (R)- or (S)-oxazepam hemisuccinate (OXEMIS), using nuclear magnetic resonance (NMR) spectroscopy as an investigation tool. After 6 h, MCD induced an 11% hydrolysis of OXEMIS, remarkably lower in comparison with underivatized β-CD (48%), whereas no hydrolysis was detected in the presence of DIMEB or TRIMEB after 24 h. DIMEB showed greater ability to differentiate OXEMIS enantiomers in comparison to TRIMEB, by contrast MCD did not produce any splitting of racemic OXEMIS resonances. Both enantiomers of OXEMIS underwent deep inclusion of their phenyl pendant into cyclodextrins cavities from their wider rims, but tighter complexes were formed by DIMEB with respect to TRIMEB.
AGSE: A Novel Grape Seed Extract Enriched for PP2A Activating Flavonoids That Combats Oxidative Stress and Promotes Skin Health
Authors: Huber Kristen L. , Fernández José R. , Webb Corey , Rouzard Karl , Healy Jason , Tamura Masanori , Stock Jeffry B. , Stock Maxwell , Pérez Eduardo
Published: October 2021

Environmental stimuli attack the skin daily resulting in the generation of reactive oxygen species (ROS) and inflammation. One pathway that regulates oxidative stress in skin involves Protein Phosphatase 2A (PP2A), a phosphatase which has been previously linked to Alzheimer’s Disease and aging. Oxidative stress decreases PP2A methylation in normal human dermal fibroblasts (NHDFs). Thus, we hypothesize agents that increase PP2A methylation and activity will promote skin health and combat aging. To discover novel inhibitors of PP2A demethylation activity, we screened a library of 32 natural botanical extracts. We discovered Grape Seed Extract (GSE), which has previously been reported to have several benefits for skin, to be the most potent PP2A demethylating extract. Via several fractionation and extraction steps we developed a novel grape seed extract called Activated Grape Seed Extract (AGSE), which is enriched for PP2A activating flavonoids that increase potency in preventing PP2A demethylation when compared to commercial GSE. We then determined that 1% AGSE and 1% commercial GSE exhibit distinct gene expression profiles when topically applied to a 3D human skin model. To begin to characterize AGSE’s activity, we investigated its antioxidant potential and demonstrate it reduces ROS levels in NHDFs and cell-free assays equal to or better than Vitamin C and E. Moreover, AGSE shows anti-inflammatory properties, dose-dependently inhibiting UVA, UVB and chemical-induced inflammation. These results demonstrate AGSE is a novel, multi-functional extract that modulates methylation levels of PP2A and supports the hypothesis of PP2A as a master regulator for oxidative stress signaling and aging in skin.
User Behavior Adaptive AR Guidance for Wayfinding and Tasks Completion
Authors: Truong-Allié Camille , Paljic Alexis , Roux Alexis , Herbeth Martin
Published: October 2021

Augmented reality (AR) is widely used to guide users when performing complex tasks, for example, in education or industry. Sometimes, these tasks are a succession of subtasks, possibly distant from each other. This can happen, for instance, in inspection operations, where AR devices can give instructions about subtasks to perform in several rooms. In this case, AR guidance is both needed to indicate where to head to perform the subtasks and to instruct the user about how to perform these subtasks. In this paper, we propose an approach based on user activity detection. An AR device displays the guidance for wayfinding when current user activity suggests it is needed. We designed the first prototype on a head-mounted display using a neural network for user activity detection and compared it with two other guidance temporality strategies, in terms of efficiency and user preferences. Our results show that the most efficient guidance temporality depends on user familiarity with the AR display. While our proposed guidance has not proven to be more efficient than the other two, our experiment hints toward several improvements of our prototype, which is a first step in the direction of efficient guidance for both wayfinding and complex task completion.
A Lipid-Coated Nanoconstruct Composed of Gold Nanoparticles Noncovalently Coated with Small Interfering RNA: Preparation, Purification and Characterization
Authors: Epanchintseva Anna V. , Poletaeva Julia E. , Dovydenko Ilya S. , Chelobanov Boris P. , Pyshnyi Dmitrii V. , Ryabchikova Elena I. , Pyshnaya Inna A.
Published: October 2021

There is an urgent need to develop systems for nucleic acid delivery, especially for the creation of effective therapeutics against various diseases. We have previously shown the feasibility of efficient delivery of small interfering RNA by means of gold nanoparticle-based multilayer nanoconstructs (MLNCs) for suppressing reporter protein synthesis. The present work is aimed at improving the quality of preparations of desired MLNCs, and for this purpose, optimal conditions for their multistep fabrication were found. All steps of this process and MLNC purification were verified using dynamic light scattering, transmission electron microscopy, and UV-Vis spectroscopy. Factors influencing the efficiency of nanocomposite assembly, colloidal stability, and purification quality were identified. These data made it possible to optimize the fabrication of target MLNCs bearing small interfering RNA and to substantially improve end product quality via an increase in its homogeneity and a decrease in the amount of incomplete nanoconstructs. We believe that the proposed approaches and methods will be useful for researchers working with lipid nanoconstructs.