bluuebunny/crossref_metadata_2025 huggingface dataset:
Slow Magnetic Relaxation in {[CoCxAPy)] 2.15 H2O}n MOF Built from Ladder-Structured 2D Layers with Dimeric SMM Rungs
Authors: Arauzo Ana , Bartolomé Elena , Luzón Javier , Alonso Pablo , Vlad Angelica , Cazacu Maria , Zaltariov Mirela , Shova Sergiu , Bartolomé Juan , Turta Constantin
Published: September 2021

We present the magnetic properties of the metal-organic framework {[CoCxAPy]·2.15 H2O}n (Cx = bis(carboxypropyl)tetramethyldisiloxane; APy = 4,4`-azopyridine) (1) that builds up from the stacking of 2D coordination polymers. The 2D-coordination polymer in the bc plane is formed by the adjacent bonding of [CoCxAPy] 1D two-leg ladders with Co dimer rungs, running parallel to the c-axis. The crystal packing of 2D layers shows the presence of infinite channels running along the c crystallographic axis, which accommodate the disordered solvate molecules. The Co(II) is six-coordinated in a distorted octahedral geometry, where the equatorial plane is occupied by four carboxylate oxygen atoms. Two nitrogen atoms from APy ligands are coordinated in apical positions. The single-ion magnetic anisotropy has been determined by low temperature EPR and magnetization measurements on an isostructural compound {[Zn0.8Co0.2CxAPy]·1.5 CH3OH}n (2). The results show that the Co(II) ion has orthorhombic anisotropy with the hard-axis direction in the C2V main axis, lying the easy axis in the distorted octahedron equatorial plane, as predicted by the ab initio calculations of the g-tensor. Magnetic and heat capacity properties at very low temperatures are rationalized within a S* = 1/2 magnetic dimer model with anisotropic antiferromagnetic interaction. The magnetic dimer exhibits slow relaxation of the magnetization (SMM) below 6 K in applied field, with a tlf ≈ 2 s direct process at low frequencies, and an Orbach process at higher frequencies with U/kB = 6.7 ± 0.5 K. This compound represents a singular SMM MOF built-up of Co-dimers with an anisotropic exchange interaction.
Soapwort (Saponaria officinalis L.) Extract vs. Synthetic Surfactants—Effect on Skin-Mimetic Models
Authors: Jurek Ilona , Szuplewska Aleksandra , Chudy Michał , Wojciechowski Kamil
Published: September 2021

Our skin is continuously exposed to different amphiphilic substances capable of interaction with its lipids and proteins. We describe the effect of a saponin-rich soapwort extract and of four commonly employed synthetic surfactants: sodium lauryl sulfate (SLS), sodium laureth sulfate (SLES), ammonium lauryl sulfate (ALS), cocamidopropyl betaine (CAPB) on different human skin models. Two human skin cell lines were employed: normal keratinocytes (HaCaT) and human melanoma cells (A375). The liposomes consisting of a dipalmitoylphosphatidylcholine/cholesterol mixture in a molar ratio of 7:3, mimicking the cell membrane of keratinocytes and melanoma cells were employed as the second model. Using dynamic light scattering (DLS), the particle size distribution of liposomes was analyzed before and after contact with the tested (bio)surfactants. The results, supplemented by the protein solubilization tests (albumin denaturation test, zein test) and oil emulsification capacity (using olive oil and engine oil), showed that the soapwort extract affects the skin models to a clearly different extent than any of the tested synthetic surfactants. Its protein and lipid solubilizing potential are much smaller than for the three anionic surfactants (SLS, ALS, SLES). In terms of protein solubilization potential, the soapwort extract is comparable to CAPB, which, however, is much harsher to lipids.
Comprehensive Insight into Chemical Stability of Important Antidiabetic Drug Vildagliptin Using Chromatography (LC-UV and UHPLC-DAD-MS) and Spectroscopy (Mid-IR and NIR with PCA)
Authors: Gumieniczek Anna , Berecka-Rycerz Anna , Fornal Emilia , Żyżyńska-Granica Barbara , Granica Sebastian
Published: September 2021

During forced degradation, the intrinsic stability of active pharmaceutical ingredients (APIs) could be determined and possible impurities that would occur during the shelf life of the drug substance or the drug product could be estimated. Vildagliptin belongs to relatively new oral antidiabetic drugs named gliptins, inhibiting dipeptidyl peptidase 4 (DPP-4) and prolonging the activities of the endogenous incretin hormones. At the same time, some gliptins were shown as prone to degradation under specific pH and temperature conditions, as well as in the presence of some reactive excipients. Thus, forced degradation of vildagliptin was performed at high temperature in extreme pH and oxidative conditions. Then, selective LC-UV was used for quantitative determination of non-degraded vildagliptin in the presence of its degradation products and for degradation kinetics. Finally, identification of degradation products of vildagliptin was performed using an UHPLC-DAD-MS with positive ESI. Stability of vildagliptin was also examined in the presence of pharmaceutical excipients, using mid-IR and NIR with principal component analysis (PCA). At 70 °C almost complete disintegration of vildagliptin occurred in acidic, basic, and oxidative media. What is more, high degradation of vildagliptin following the pseudo first-order kinetics was observed at room temperature with calculated k values 4.76 × 10−4 s−1, 3.11 × 10−4 s−1, and 1.73 × 10−4 s−1 for oxidative, basic and acidic conditions, respectively. Next, new degradation products of vildagliptin were detected using UHPLC-DAD-MS and their molecular structures were proposed. Three degradants were formed under basic and acidic conditions, and were identified as [(3-hydroxytricyclo- [3.3.1.13,7]decan-1-yl)amino]acetic acid, 1-{[(3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)amino]acetyl}-pyrrolidine-2-carboxylic acid and its O-methyl ester. The fourth degradant was formed in basic, acidic, and oxidative conditions, and was identified as 1-{[(3-hydroxytricyclo[3.3.1.13,7]-decan-1-yl)amino]acetyl}pyrrolidine-2-carboxamide. When stability of vildagliptin was examined in the presence of four excipients under high temperature and humidity, a visible impact of lactose, mannitol, magnesium stearate, and polyvinylpirrolidone was observed, affecting-NH- and CO groups of the drug. The obtained results (kinetic parameters, interactions with excipients) may serve pharmaceutical industry to prevent chemical changes in final pharmaceutical products containing vildagliptin. Other results (e.g., identification of new degradation products) may serve as a starting point for qualifying new degradants of vildagliptin as it is related to substances in pharmacopoeias.
Seasonal Variation in Chemical Compositions of Essential Oils Extracted from Lavandin Flowers in the Yun-Gui Plateau of China
Authors: Liao Zhenni , Huang Qing , Cheng Qiming , Khan Sardar , Yu Xiaoying
Published: September 2021

Lavandin, as an important cash crop, is cultivated in Kunming, Yun-Gui Plateau of China. For the special growing environment, Lavandin was grown here and used to investigate the changes in the yield and chemical compositions of essential oils extracted from the flowers in different seasons. The essential oils were extracted by hydro-distillation and analysis by gas chromatography-mass spectrometry (GC-MS). Results indicated great changes in chemical composition depending on the season of harvesting. The yields of essential oils ranged from 2.0% to 3.8% among the seasons, and the highest yield was in the summer. Chemical composition data showed that the extracted oils were rich in oxygenated monoterpenes (55.4–81.4%), eucalyptol (38.7–49.8%), camphor (8.41–14.26%), α-bisabolol (6.6–25.5%), and linalool (4.6–12.5%). The contents of eucalyptol and α-bisabolol changed in a contrary trend with seasonal variations. The results provided new insight for Chinese Lavandin germplasm to be used in application and development, and reference to the researcher, the farmer, and investor for sustainable industrialization of the plant grown in the Yun-Gui Plateau of China, but also the similar plateau area of the sustainable developments.
Galvano-Fenton Engineering Solution with Spontaneous Catalyst’s Generation from Waste: Experimental Efficiency, Parametric Analysis and Modeling Interpretation Applied to a Clean Technology for Dyes Degradation in Water
Authors: Ferkous Hamza , Kerboua Kaouther , Hamdaoui Oualid , Haddour Naoufel , Alghyamah Abdulaziz
Published: September 2021

In this paper, the degradation of the diazo dye naphthol blue black (NBB) using the Galvano-Fenton process is studied experimentally and numerically. The simulations are carried out based on the anodic, cathodic, and 34 elementary reactions evolving in the electrolyte, in addition to the oxidative attack of NBB by HO• at a constant rate of 3.35×107 mol−1·m3·s−1 during the initiation stage of the chain reactions. The selection of the operating conditions including the pH of the electrolyte, the stirring speed, and the electrodes disposition is performed by assessing the kinetics of NBB degradation; these parameters are set to 3, 350 rpm and a parallel disposition with a 3 cm inter-electrode distance, respectively. The kinetics of Fe(III) in the electrolyte were monitored using the principles of Fricke dosimetry and simulated numerically. The model showed more than a 96% correlation with the experimental results in both the blank test and the presence of the dye. The effects of H2O2 and NBB concentrations on the degradation of the dye were examined jointly with the evolution of the simulated H2O2, Fe2+, and HO• concentrations in the electrolyte. The model demonstrated a good correlation with the experimental results in terms of the initial degradation rates, with correlation coefficients exceeding 98%.
Development and Optimization of Djulis Sourdough Bread Fermented by Lactic Acid Bacteria for Antioxidant Capacity
Authors: Chen Hung-Yueh , Hsieh Chang-Wei , Chen Pin-Cheng , Lin Shin-Pin , Lin Ya-Fen , Cheng Kuan-Chen
Published: September 2021

This study developed a nutritionally valuable product with bioactive activity that improves the quality of bread. Djulis (Chenopodium formosanum), a native plant of Taiwan, was fermented using 23 different lactic acid bacteria strains. Lactobacillus casei BCRC10697 was identified as the ideal strain for fermentation, as it lowered the pH value of samples to 4.6 and demonstrated proteolysis ability 1.88 times higher than controls after 24 h of fermentation. Response surface methodology was adopted to optimize the djulis fermentation conditions for trolox equivalent antioxidant capacity (TEAC). The optimal conditions were a temperature of 33.5 °C, fructose content of 7.7%, and dough yield of 332.8, which yielded a TEAC at 6.82 mmol/kg. A 63% increase in TEAC and 20% increase in DPPH were observed when compared with unfermented djulis. Subsequently, the fermented djulis was used in different proportions as a substitute for wheat flour to make bread. The total phenolic and flavonoid compounds were 4.23 mg GAE/g and 3.46 mg QE/g, marking respective increases of 18% and 40% when the djulis was added. Texture analysis revealed that adding djulis increased the hardness and chewiness of sourdough breads. It also extended their shelf life by approximately 2 days. Thus, adding djulis to sourdough can enhance the functionality of breads and may provide a potential basis for developing djulis-based functional food.
Neurosteroids: Structure-Uptake Relationships and Computational Modeling of Organic Anion Transporting Polypeptides (OATP)1A2
Authors: Adla Santosh Kumar , Tonduru Arun Kumar , Kronenberger Thales , Kudova Eva , Poso Antti , Huttunen Kristiina M.
Published: September 2021

In this study, we investigated the delivery of synthetic neurosteroids into MCF-7 human breast adenocarcinoma cells via Organic Anionic Transporting Polypeptides (OATPs) (pH 7.4 and 5.5) to identify the structural components required for OATP-mediated cellular uptake and to get insight into brain drug delivery. Then, we identified structure-uptake relationships using in-house developed OATP1A2 homology model to predict binding sites and modes for the ligands. These binding modes were studied by molecular dynamics simulations to rationalize the experimental results. Our results show that carboxylic acid needs to be at least at 3 carbon-carbon bonds distance from amide bond at the C-3 position of the androstane skeleton and have an amino group to avoid efflux transport. Replacement of hydroxyl group at C-3 with any of the 3, 4, and 5-carbon chained terminal carboxylic groups improved the affinity. We attribute this to polar interactions between carboxylic acid and side-chains of Lys33 and Arg556. The additional amine group showed interactions with Glu172 and Glu200. Based on transporter capacities and efficacies, it could be speculated that the functionalization of acetyl group at the C-17 position of the steroidal skeleton might be explored further to enable OAT1A2-mediated delivery of neurosteroids into the cells and also across the blood-brain barrier.
Early-Age Hydration Reaction and Strength Formation Mechanism of Solid Waste Silica Fume Modified Concrete
Authors: Luo Tao , Hua Cheng , Sun Qiang , Tang Liyun , Yi Yu , Pan Xiaofeng
Published: September 2021

Solid waste silica fume was used to replace fly ash by different ratios to study the early-age hydration reaction and strength formation mechanism of concrete. The change pattern of moisture content in different phases and micro morphological characteristics of concrete at early age were analyzed by low field nuclear magnetic resonance (LF-NMR) and scanning electron microscope (SEM). The results showed that the compressive strength of concrete was enhanced optimally when the replacement ratio of solid waste silica fume was 50%. The results of LF-NMR analysis showed that the water content of modified concrete increased with the increase of solid waste silica fume content. The compressive strength of concrete grew faster within the curing age of 7 d, which means the hydration process of concrete was also faster. The micro morphological characteristics obtained by SEM revealed that the concrete was densest internally when 50% fly ash was replaced by the solid waste silica fume, which was better than the other contents.
The Development of Ru(II)-Based Photoactivated Chemotherapy Agents
Authors: Chen Yongjie , Bai Lijuan , Zhang Pu , Zhao Hua , Zhou Qianxiong
Published: September 2021

Photoactivated chemotherapy (PACT) is a novel cancer treatment method that has drawn increasing attention due to its high selectivity and low side effects by spatio-temporal control of irradiation. Compared with photodynamic therapy (PDT), oxygen-independent PACT is more suitable for treating hypoxic tumors. By finely tuning ligand structures and coordination configurations, many Ru(II) complexes can undergo photoinduced ligand dissociation, and the resulting Ru(II) aqua species and/or free ligands may have anticancer activity, showing their potential as PACT agents. In this mini-review, we summarized the progress in Ru(II)-based PACT agents, as well as challenges that researchers in this field still face.
Ginger, a Possible Candidate for the Treatment of Dementias?
Authors: Schepici Giovanni , Contestabile Valentina , Valeri Andrea , Mazzon Emanuela
Published: September 2021

As the human life expectancy increases, age-linked diseases have become more and more frequent. The worldwide increment of dementia cases demands medical solutions, but the current available drugs do not meet all the expectations. Recently the attention of the scientific community was attracted by natural compounds, used in ancient medicine, known for their beneficial effects and high tolerability. This review is focused on Ginger (Zingiber officinale) and explore its properties against Alzheimer’s Disease and Vascular Dementia, two of the most common and devastating forms of dementia. This work resumes the beneficial effects of Ginger compounds, tested in computational in vitro and in vivo models of Alzheimer’s Disease and Vascular Dementia, along with some human tests. All these evidences suggest a potential role of the compounds of ginger not only in the treatment of the disease, but also in its prevention.
In Silico Analysis of Fungal and Chloride-Dependent α-Amylases within the Family GH13 with Identification of Possible Secondary Surface-Binding Sites
Authors: Janíčková Zuzana , Janeček Štefan
Published: September 2021

This study brings a detailed bioinformatics analysis of fungal and chloride-dependent α-amylases from the family GH13. Overall, 268 α-amylase sequences were retrieved from subfamilies GH13_1 (39 sequences), GH13_5 (35 sequences), GH13_15 (28 sequences), GH13_24 (23 sequences), GH13_32 (140 sequences) and GH13_42 (3 sequences). Eight conserved sequence regions (CSRs) characteristic for the family GH13 were identified in all sequences and respective sequence logos were analysed in an effort to identify unique sequence features of each subfamily. The main emphasis was given on the subfamily GH13_32 since it contains both fungal α-amylases and their bacterial chloride-activated counterparts. In addition to in silico analysis focused on eventual ability to bind the chloride anion, the property typical mainly for animal α-amylases from subfamilies GH13_15 and GH13_24, attention has been paid also to the potential presence of the so-called secondary surface-binding sites (SBSs) identified in complexed crystal structures of some particular α-amylases from the studied subfamilies. As template enzymes with already experimentally determined SBSs, the α-amylases from Aspergillus niger (GH13_1), Bacillus halmapalus, Bacillus paralicheniformis and Halothermothrix orenii (all from GH13_5) and Homo sapiens (saliva; GH13_24) were used. Evolutionary relationships between GH13 fungal and chloride-dependent α-amylases were demonstrated by two evolutionary trees—one based on the alignment of the segment of sequences spanning almost the entire catalytic TIM-barrel domain and the other one based on the alignment of eight extracted CSRs. Although both trees demonstrated similar results in terms of a closer evolutionary relatedness of subfamilies GH13_1 with GH13_42 including in a wider sense also the subfamily GH13_5 as well as for subfamilies GH13_32, GH13_15 and GH13_24, some subtle differences in clustering of particular α-amylases may nevertheless be observed.
Antimalarial Inhibitors Targeting Epigenetics or Mitochondria in Plasmodium falciparum: Recent Survey upon Synthesis and Biological Evaluation of Potential Drugs against Malaria
Authors: Koumpoura Christina L. , Robert Anne , Athanassopoulos Constantinos M. , Baltas Michel
Published: September 2021

Despite many efforts, malaria remains among the most problematic infectious diseases worldwide, mainly due to the development of drug resistance by P. falciparum. Over the past decade, new essential pathways have been emerged to fight against malaria. Among them, epigenetic processes and mitochondrial metabolism appear to be important targets. This review will focus on recent evolutions concerning worldwide efforts to conceive, synthesize and evaluate new drug candidates interfering selectively and efficiently with these two targets and pathways. The focus will be on compounds/scaffolds that possess biological/pharmacophoric properties on DNA methyltransferases and HDAC’s for epigenetics, and on cytochrome bc1 and dihydroorotate dehydrogenase for mitochondrion.
Influence of Electrolyte on the Electrode/Electrolyte Interface Formation on InSb Electrode in Mg-Ion Batteries
Authors: Mohammad Irshad , Blondeau Lucie , Leroy Jocelyne , Khodja Hicham , Gauthier Magali
Published: September 2021

Achieving the full potential of magnesium-ion batteries (MIBs) is still a challenge due to the lack of adequate electrodes or electrolytes. Grignard-based electrolytes show excellent Mg plating/stripping, but their incompatibility with oxide cathodes restricts their use. Conventional electrolytes like bis(trifluoromethanesulfonyl)imide ((Mg(TFSI)2) solutions are incompatible with Mg metal, which hinders their application in high-energy Mg batteries. In this regard, alloys can be game changers. The insertion/extraction of Mg2+ in alloys is possible in conventional electrolytes, suggesting the absence of a passivation layer or the formation of a conductive surface layer. Yet, the role and influence of this layer on the alloys performance have been studied only scarcely. To evaluate the reactivity of alloys, we studied InSb as a model material. Ex situ X-ray photoelectron spectroscopy (XPS) and electrochemical impedance spectroscopy were used to investigate the surface behavior of InSb in both Grignard and conventional Mg(TFSI)2/DME electrolytes. For the Grignard electrolyte, we discovered an intrinsic instability of both solvent and salt against InSb. XPS showed the formation of a thick surface layer consisting of hydrocarbon species and degradation products from the solvent (THF) and salt (C2H5MgCl−(C2H5)2AlCl). On the contrary, this study highlighted the stability of InSb in Mg(TFSI)2 electrolyte.
Controlled Growth of Porous InBr3: PbBr2 Film for Preparation of CsPbBr3 in Carbon-Based Planar Perovskite Solar Cells
Authors: Chi Kailin , Xu Hansi , Feng Bingtao , Meng Xianwei , Yu Daoyu , Li Qian
Published: September 2021

Due to the low solubility of CsBr in organic solvents, the CsPbBr3 film prepared by the multi-step method has holes and insufficient thickness, and the light absorption capacity and current density of the perovskite film hinder the further improvement in the power conversion efficiency (PCE) of CsPbBr3 solar cells. In this study, we introduced InBr3 into the PbBr2 precursor solution and adjusted the concentration of PbBr2, successfully prepared PbBr2 with a porous structure on the compact TiO2 (c-TiO2) substrate to ensure that it fully reacted with CsBr, and obtained the planar carbon-based CsPbBr3 solar cells with high-quality perovskite film. The results reveal that the porous PbBr2 structure and the increasing PbBr2 concentration are beneficial to increase the thickness of the CsPbBr3 films, optimize the surface morphology, and significantly enhance the light absorption capacity. Finally, the PCE of the CsPbBr3 solar cells obtained after conditions optimization was 5.76%.
Effect of the Heating Rate to Prevent the Generation of Iron Oxides during the Hydrothermal Synthesis of LiFePO4
Authors: Ruiz-Jorge Francisco , Benítez Almudena , García-Jarana M. Belén , Sánchez-Oneto Jezabel , Portela Juan R. , Martínez de la Ossa Enrique J.
Published: September 2021

Lithium-ion batteries (LIBs) have gained much interest in recent years because of the increasing energy demand and the relentless progression of climate change. About 30% of the manufacturing cost for LIBs is spent on cathode materials, and its level of development is lower than the negative electrode, separator diaphragm and electrolyte, therefore becoming the “controlling step”. Numerous cathodic materials have been employed, LiFePO4 being the most relevant one mainly because of its excellent performance, as well as its rated capacity (170 mA·h·g−1) and practical operating voltage (3.5 V vs. Li+/Li). Nevertheless, producing micro and nanoparticles with high purity levels, avoiding the formation of iron oxides, and reducing the operating cost are still some of the aspects still to be improved. In this work, we have applied two heating rates (slow and fast) to the same hydrothermal synthesis process with the main objective of obtaining, without any reducing agents, the purest possible LiFePO4 in the shortest time and with the lowest proportion of magnetite impurities. The reagents initially used were: FeSO4, H3PO4, and LiOH, and a crucial phenomenon has been observed in the temperature range between 130 and 150 °C, being verified with various techniques such as XRD and SEM.
Editorial for Special Issue: Nanoimprint Lithography Technology and Applications
Authors: Muehlberger Michael
Published: September 2021

Nanoimprint Lithography (NIL) has been an interesting and growing field over the last years since its beginnings in the mid 1990ies [...]
A Review on the Production Methods and Applications of Graphene-Based Materials
Authors: Al Faruque Md Abdullah , Syduzzaman Md , Sarkar Joy , Bilisik Kadir , Naebe Maryam
Published: September 2021

Graphene-based materials in the form of fibres, fabrics, films, and composite materials are the most widely investigated research domains because of their remarkable physicochemical and thermomechanical properties. In this era of scientific advancement, graphene has built the foundation of a new horizon of possibilities and received tremendous research focus in several application areas such as aerospace, energy, transportation, healthcare, agriculture, wastewater management, and wearable technology. Although graphene has been found to provide exceptional results in every application field, a massive proportion of research is still underway to configure required parameters to ensure the best possible outcomes from graphene-based materials. Until now, several review articles have been published to summarise the excellence of graphene and its derivatives, which focused mainly on a single application area of graphene. However, no single review is found to comprehensively study most used fabrication processes of graphene-based materials including their diversified and potential application areas. To address this genuine gap and ensure wider support for the upcoming research and investigations of this excellent material, this review aims to provide a snapshot of most used fabrication methods of graphene-based materials in the form of pure and composite fibres, graphene-based composite materials conjugated with polymers, and fibres. This study also provides a clear perspective of large-scale production feasibility and application areas of graphene-based materials in all forms.
Modeling of Self-Assembled Peptide Nanotubes and Determination of Their Chirality Sign Based on Dipole Moment Calculations
Authors: Bystrov Vladimir , Sidorova Alla , Lutsenko Aleksey , Shpigun Denis , Malyshko Ekaterina , Nuraeva Alla , Zelenovskiy Pavel , Kopyl Svitlana , Kholkin Andrei
Published: September 2021

The chirality quantification is of great importance in structural biology, where the differences in proteins twisting can provide essentially different physiological effects. However, this aspect of the chirality is still poorly studied for helix-like supramolecular structures. In this work, a method for chirality quantification based on the calculation of scalar triple products of dipole moments is suggested. As a model structure, self-assembled nanotubes of diphenylalanine (FF) made of L- and D-enantiomers were considered. The dipole moments of FF molecules were calculated using semi-empirical quantum-chemical method PM3 and the Amber force field method. The obtained results do not depend on the used simulation and calculation method, and show that the D-FF nanotubes are twisted tighter than L-FF. Moreover, the type of chirality of the helix-like nanotube is opposite to that of the initial individual molecule that is in line with the chirality alternation rule general for different levels of hierarchical organization of molecular systems. The proposed method can be applied to study other helix-like supramolecular structures.
Biosynthesis of Silver Nanoparticles and Their Applications in Harvesting Sunlight for Solar Thermal Generation
Authors: Talabani Rebwar Faiq , Hamad Samir Mustafa , Barzinjy Azeez Abdullah , Demir Usame
Published: September 2021

Silver (Ag) nanoparticles (NPs) have been synthesized through an easy, inexpensive, and ecofriendly method. Petroselinum crispum, parsley, leaf extract was utilized as a reducing, capping, and stabilizing agent, without using any hazardous chemical materials, for producing Ag NPs. The biosynthesized Ag NPs were characterized using different characterization techniques, namely UV-Vis, FT-IR spectroscopy, X-ray diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), dynamic light scattering (DLS), zeta potential, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), transmission electron microscope (TEM), field emission scanning electron microscopy (FESEM), and energy-dispersive X-ray (EDX) analysis to investigate the optical, thermal, structural, morphological, and chemical properties of the plant extract and the biosynthesized Ag NPs. After that, the biosynthesized Ag NPs were utilized in harvesting sunlight for solar thermal generation. Surface plasmon resonance (SPR) for the green synthesized Ag NPs with the dark color were adjusted at nearly 450 nm. Once the Ag NPs are excited at the SPR, a large amount of heat is released, which causes a change in the local refractive index surrounding the Ag NPs. The released heat from the Ag NPs under the solar irradiation at the precise wavelength of plasmon resonance significantly increased the temperature of the aqueous medium. Different percentages of Ag NPs were dispersed in water and then exposed to the sunlight to monitor the temperature of the suspension. It was found that the temperature of the aqueous medium reached its highest point when 0.3 wt. % of Ag NPs was utilized. This investigation is rare and unique, and it shows that utilizing a small amount of the biosynthesized Ag NPs can increase the temperature of the aqueous medium remarkably.
Bioconjugation Strategies for Connecting Proteins to DNA-Linkers for Single-Molecule Force-Based Experiments
Authors: van der Sleen Lyan M. , Tych Katarzyna M.
Published: September 2021

The mechanical properties of proteins can be studied with single molecule force spectroscopy (SMFS) using optical tweezers, atomic force microscopy and magnetic tweezers. It is common to utilize a flexible linker between the protein and trapped probe to exclude short-range interactions in SMFS experiments. One of the most prevalent linkers is DNA due to its well-defined properties, although attachment strategies between the DNA linker and protein or probe may vary. We will therefore provide a general overview of the currently existing non-covalent and covalent bioconjugation strategies to site-specifically conjugate DNA-linkers to the protein of interest. In the search for a standardized conjugation strategy, considerations include their mechanical properties in the context of SMFS, feasibility of site-directed labeling, labeling efficiency, and costs.
Low-Energy Electron Inelastic Mean Free Path of Graphene Measured by a Time-of-Flight Spectrometer
Authors: Konvalina Ivo , Daniel Benjamin , Zouhar Martin , Paták Aleš , Müllerová Ilona , Frank Luděk , Piňos Jakub , Průcha Lukáš , Radlička Tomáš , Werner Wolfgang S. M. , Mikmeková Eliška Materna
Published: September 2021

The detailed examination of electron scattering in solids is of crucial importance for the theory of solid-state physics, as well as for the development and diagnostics of novel materials, particularly those for micro- and nanoelectronics. Among others, an important parameter of electron scattering is the inelastic mean free path (IMFP) of electrons both in bulk materials and in thin films, including 2D crystals. The amount of IMFP data available is still not sufficient, especially for very slow electrons and for 2D crystals. This situation motivated the present study, which summarizes pilot experiments for graphene on a new device intended to acquire electron energy-loss spectra (EELS) for low landing energies. Thanks to its unique properties, such as electrical conductivity and transparency, graphene is an ideal candidate for study at very low energies in the transmission mode of an electron microscope. The EELS are acquired by means of the very low-energy electron microspectroscopy of 2D crystals, using a dedicated ultra-high vacuum scanning low-energy electron microscope equipped with a time-of-flight (ToF) velocity analyzer. In order to verify our pilot results, we also simulate the EELS by means of density functional theory (DFT) and the many-body perturbation theory. Additional DFT calculations, providing both the total density of states and the band structure, illustrate the graphene loss features. We utilize the experimental EELS data to derive IMFP values using the so-called log-ratio method.
Influence of Terbium Ions and Their Concentration on the Photoluminescence Properties of Hydroxyapatite for Biomedical Applications
Authors: Paduraru Andrei Viorel , Oprea Ovidiu , Musuc Adina Magdalena , Vasile Bogdan Stefan , Iordache Florin , Andronescu Ecaterina
Published: September 2021

A new generation of biomaterials with terbium-doped hydroxyapatite was obtained using a coprecipitation method. The synthesis of new materials with luminescent properties represents a challenging but important contribution due to their potential applications in biomedical science. The main objective of this study was to revel the influence of terbium ions on the design and structure of hydroxyapatite. Different concentrations of terbium, described by the chemical formula Ca10−xTbx(PO4)6(OH)2, where x is in the range of 0 to 1, were considered. The consequence of ion concentration on hydroxyapatite morphology was also investigated. The morphology and structure, as well as the optical properties, of the obtained nanomaterials were characterized using X-ray powder diffraction analysis (XRD), Fourier Transform Infrared spectrometry (FTIR), SEM and TEM microscopy, UV-Vis and photoluminescence spectroscopies. The measurements revealed that terbium ions were integrated into the structure of hydroxyapatite within certain compositional limits. The biocompatibility and cytotoxicity of the obtained powders evaluated using MTT assay, oxidative stress assessment and fluorescent microscopy revealed the ability of the synthesized nanomaterials to be used for biological system imaging.
Nanostructures for Achieving Selective Properties of a Thermophotovoltaic Emitter
Authors: Šimonová Lucie , Matějka Milan , Knápek Alexandr , Králík Tomáš , Pokorná Zuzana , Mika Filip , Fořt Tomáš , Man Ondřej , Škarvada Pavel , Otáhal Alexandr , Čudek Pavel
Published: September 2021

This paper focuses on the research and development of a suitable method for creating a selective emitter for the visible and near-infrared region to be able to work optimally together with silicon photovoltaic cells in a thermophotovoltaic system. The aim was to develop a new method to create very fine structures beyond the conventional standard (nanostructures), which will increase the emissivity of the base material for it to match the needs of a selective emitter for the VIS and NIR region. Available methods were used to create the nanostructures, from which we eliminated all unsuitable methods; for the selected method, we established the optimal procedure and parameters for their creation. The development of the emitter nanostructures included the necessary substrate pretreatments, where great emphasis was placed on material purity and surface roughness. Tungsten was purposely chosen as the main material for the formation of the nanostructures; we verified the effect of the formed structure on the resulting emissivity. This work presents a new method for the formation of nanostructures, which are not commonly formed in such fineness; by this, it opens the way to new possibilities for achieving the desired selectivity of the thermophotovoltaic emitter.
Modulation of Conductivity and Contact Resistance of RuO2 Nanosheets via Metal Nano-Particles Surface Decoration
Authors: Kim Jongwon , Youn Seonhye , Baek Ju Young , Kim Dong Hwan , Kim Sumin , Lee Wooyoung , Park Hee Jung , Kim Juyoung , Chun Dong Won , Park Sang-Shik , Roh Jong Wook , Kim Jeongmin
Published: September 2021

We studied the variation in electrical conductivity of exfoliated RuO2 nanosheets and the modulation in the contact resistance of individual nanosheet devices using charge transfer doping effects based on surface metal nanoparticle decorations. The electrical conductivity in the monolayer and bilayer RuO2 nanosheets gradually increased due to the surface decoration of Cu, and subsequently Ag, nanoparticles. We obtained contact resistances between the nanosheet and electrodes using the four-point and two-point probe techniques. Moreover, the contact resistances decreased during the surface decoration processes. We established that the surface decoration of metal nanoparticles is a suitable method for external contact engineering and the modulation of the internal properties of nanomaterials.
Preparation of Network-Structured Carbon Nanofiber Mats Based on PAN Blends Using Electrospinning and Hot-Pressing Methods for Supercapacitor Applications
Authors: Ma Min-Jung , Seong Jae-Gyoung , Radhakrishnan Sivaprakasam , Ko Tae-Hoon , Kim Byoung-Suhk
Published: September 2021

In this work, we prepared network-structured carbon nanofibers using polyacrylonitrile blends (PAN150 and PAN85) with different molecular weights (150,000 and 85,000 g mol−1) as precursors through electrospinning/hot-pressing methods and stabilization/carbonization processes. The obtained PAN150/PAN85 polymer nanofibers (PNFs; PNF-73, PNF-64 and PNF-55) with different weight ratios of 70/30, 60/40 and 50/50 (w/w) provided good mechanical and electrochemical properties due to the formation of physically bonded network structures between the blended PAN nanofibers during the hot-processing/stabilization processes. The resulting carbonized PNFs (cPNFs; cPNF-73, cPNF-64, and cPNF-55) were utilized as anode materials for supercapacitor applications. cPNF-73 exhibited a good specific capacitance of 689 F g−1 at 1 A g−1 in a three-electrode set-up compared to cPNF-64 (588 F g−1 at 1 A g−1) and cPNF-55 (343 F g−1 at 1 A g−1). In addition, an asymmetric hybrid cPNF-73//NiCo2O4 supercapacitor device also showed a good specific capacitance of 428 F g−1 at 1 A g−1 compared to cPNF-64 (400 F g−1 at 1 A g−1) and cPNF-55 (315 F g−1 at 1 A g−1). The cPNF-73-based device showed a good energy density of 1.74 W h kg−1 (0.38 W kg−1) as well as an excellent cyclic stability (83%) even after 2000 continuous charge–discharge cycles at a current density of 2 A g−1.
Cytostatic and Cytotoxic Effects of Hollow-Shell Mesoporous Silica Nanoparticles Containing Magnetic Iron Oxide
Authors: Pérez-Garnes Manuel , Morales Victoria , Sanz Raul , García-Muñoz Rafael A.
Published: September 2021

Among the different types of nanoparticles used in biomedical applications, Fe nanoparticles and mesoporous siliceous materials have been extensively investigated because of their possible theranostic applications. Here, we present hollow-shell mesoporous silica nanoparticles that encapsulate iron oxide and that are prepared using a drug-structure-directing agent concept (DSDA), composed of the model drug tryptophan modified by carbon aliphatic hydrocarbon chains. The modified tryptophan can behave as an organic template that allows directing the hollow-shell mesoporous silica framework, as a result of its micellisation and subsequent assembly of the silica around it. The one-pot synthesis procedure facilitates the incorporation of hydrophobically stabilised iron oxide nanoparticles into the hollow internal silica cavities, with the model drug tryptophan in the shell pores, thus enabling the incorporation of different functionalities into the all-in-one nanoparticles named mesoporous silica nanoparticles containing magnetic iron oxide (Fe3O4@MSNs). Additionally, the drug loading capability and the release of tryptophan from the silica nanoparticles were examined, as well as the cytostaticity and cytotoxicity of the Fe3O4@MSNs in different colon cancer cell lines. The results indicate that Fe3O4@MSNs have great potential for drug loading and drug delivery into specific target cells, thereby overcoming the limitations associated with conventional drug formulations, which are unable to selectively reach the sites of interest.
Photoacoustic Properties of Polypyrrole Nanoparticles
Authors: Keša Peter , Paúrová Monika , Babič Michal , Heizer Tomáš , Matouš Petr , Turnovcová Karolína , Mareková Dana , Šefc Luděk , Herynek Vít
Published: September 2021

Photoacoustic imaging, an emerging modality, provides supplemental information to ultrasound imaging. We investigated the properties of polypyrrole nanoparticles, which considerably enhance contrast in photoacoustic images, in relation to the synthesis procedure and to their size. We prepared polypyrrole nanoparticles by water-based redox precipitation polymerization in the presence of ammonium persulphate (ratio nPy:nOxi 1:0.5, 1:1, 1:2, 1:3, 1:5) or iron(III) chloride (nPy:nOxi 1:2.3) acting as an oxidant. To stabilize growing nanoparticles, non-ionic polyvinylpyrrolidone was used. The nanoparticles were characterized and tested as a photoacoustic contrast agent in vitro on an imaging platform combining ultrasound and photoacoustic imaging. High photoacoustic signals were obtained with lower ratios of the oxidant (nPy:nAPS ≥ 1:2), which corresponded to higher number of conjugated bonds in the polymer. The increasing portion of oxidized structures probably shifted the absorption spectra towards shorter wavelengths. A strong photoacoustic signal dependence on the nanoparticle size was revealed; the signal linearly increased with particle surface. Coated nanoparticles were also tested in vivo on a mouse model. To conclude, polypyrrole nanoparticles represent a promising contrast agent for photoacoustic imaging. Variations in the preparation result in varying photoacoustic properties related to their structure and allow to optimize the nanoparticles for in vivo imaging.
Plasmon-Enhanced Photoresponse of Self-Powered Si Nanoholes Photodetector by Metal Nanowires
Authors: Varasteanu Pericle , Radoi Antonio , Tutunaru Oana , Ficai Anton , Pascu Razvan , Kusko Mihaela , Mihalache Iuliana
Published: September 2021

In this work, we report the development of self-powered photodetectors that integrate silicon nanoholes (SiNHs) and four different types of metal nanowires (AgNWs, AuNWs, NiNWs, PtNWs) applied on the SiNHs’ surface using the solution processing method. The effectiveness of the proposed architectures is evidenced through extensive experimental and simulation analysis. The AgNWs/SiNHs device showed the highest photo-to-dark current ratio of 2.1 × 10−4, responsivity of 30 mA/W and detectivity of 2 × 1011 Jones along with the lowest noise equivalent power (NEP) parameter of 2.4 × 10−12 WHz−1/2 in the blue light region. Compared to the bare SiNHs device, the AuNWs/SiNHs device had significantly enhanced responsivity up to 15 mA/W, especially in the red and near-infrared spectral region. Intensity-modulated photovoltage spectroscopy (IMVS) measurements revealed that the AgNWs/SiNHs device generated the longest charge carrier lifetime at 470 nm, whereas the AuNWs/SiNHs showed the slowest recombination rate at 627 nm. Furthermore, numerical simulation confirmed the local field enhancement effects at the MeNWs and SiNHs interface. The study demonstrates a cost-efficient and scalable strategy to combine the superior light harvesting properties of SiNHs with the plasmonic absorption of metallic nanowires (MeNWs) towards enhanced sensitivity and spectral-selective photodetection induced by the local surface plasmon resonance effects.
Angstrom-Scale Active Width Control of Nano Slits for Variable Plasmonic Cavity
Authors: Lee Dukhyung , Lee Dohee , Yun Hyeong Seok , Kim Dai-Sik
Published: September 2021

Nanogap slits can operate as a plasmonic Fabry–Perot cavity in the visible and infrared ranges due to the gap plasmon with an increased wavenumber. Although the properties of gap plasmon are highly dependent on the gap width, active width tuning of the plasmonic cavity over the wafer length scale was barely realized. Recently, the fabrication of nanogap slits on a flexible substrate was demonstrated to show that the width can be adjusted by bending the flexible substrate. In this work, by conducting finite element method (FEM) simulation, we investigated the structural deformation of nanogap slit arrays on an outer bent polydimethylsiloxane (PDMS) substrate and the change of the optical properties. We found that the tensile deformation is concentrated in the vicinity of the gap bottom to widen the gap width proportionally to the substrate curvature. The width widening leads to resonance blueshift and field enhancement decrease. Displacement ratio ((width change)/(supporting stage translation)), which was identified to be proportional to the substrate thickness and slit period, is on the order of 10−5 enabling angstrom-scale width control. This low displacement ratio comparable to a mechanically controllable break junction highlights the great potential of nanogap slit structures on a flexible substrate, particularly in quantum plasmonics.
Progress in the Triboelectric Human–Machine Interfaces (HMIs)-Moving from Smart Gloves to AI/Haptic Enabled HMI in the 5G/IoT Era
Authors: Sun Zhongda , Zhu Minglu , Lee Chengkuo
Published: September 2021

Entering the 5G and internet of things (IoT) era, human–machine interfaces (HMIs) capable of providing humans with more intuitive interaction with the digitalized world have experienced a flourishing development in the past few years. Although the advanced sensing techniques based on complementary metal-oxide-semiconductor (CMOS) or microelectromechanical system (MEMS) solutions, e.g., camera, microphone, inertial measurement unit (IMU), etc., and flexible solutions, e.g., stretchable conductor, optical fiber, etc., have been widely utilized as sensing components for wearable/non-wearable HMIs development, the relatively high-power consumption of these sensors remains a concern, especially for wearable/portable scenarios. Recent progress on triboelectric nanogenerator (TENG) self-powered sensors provides a new possibility for realizing low-power/self-sustainable HMIs by directly converting biomechanical energies into valuable sensory information. Leveraging the advantages of wide material choices and diversified structural design, TENGs have been successfully developed into various forms of HMIs, including glove, glasses, touchpad, exoskeleton, electronic skin, etc., for sundry applications, e.g., collaborative operation, personal healthcare, robot perception, smart home, etc. With the evolving artificial intelligence (AI) and haptic feedback technologies, more advanced HMIs could be realized towards intelligent and immersive human–machine interactions. Hence, in this review, we systematically introduce the current TENG HMIs in the aspects of different application scenarios, i.e., wearable, robot-related and smart home, and prospective future development enabled by the AI/haptic-feedback technology. Discussion on implementing self-sustainable/zero-power/passive HMIs in this 5G/IoT era and our perspectives are also provided.