bluuebunny/crossref_metadata_2025 huggingface dataset:
Flexible Neural Probes with Optical Artifact-Suppressing Modification and Biofriendly Polypeptide Coating
Authors: Wang Minghao , Fan Ye , Li Lili , Wen Fei , Guo Bangbang , Jin Minyi , Xu Jiahui , Zhou Yuhao , Kang Xiaoyang , Ji Bowen , Cheng Yuhua , Wang Gaofeng
Published: January 2022

The advent of optogenetics provides a well-targeted tool to manipulate neurons because of its high time resolution and cell-type specificity. Recently, closed-loop neural manipulation techniques consisting of optical stimulation and electrical recording have been widely used. However, metal microelectrodes exposed to light radiation could generate photoelectric noise, thus causing loss or distortion of neural signal in recording channels. Meanwhile, the biocompatibility of neural probes remains to be improved. Here, five kinds of neural interface materials are deposited on flexible polyimide-based neural probes and illuminated with a series of blue laser pulses to study their electrochemical performance and photoelectric noises for single-unit recording. The results show that the modifications can not only improve the electrochemical performance, but can also reduce the photoelectric artifacts. In particular, the double-layer composite consisting of platinum-black and conductive polymer has the best comprehensive performance. Thus, a layer of polypeptide is deposited on the entire surface of the double-layer modified neural probes to further improve their biocompatibility. The results show that the biocompatible polypeptide coating has little effect on the electrochemical performance of the neural probe, and it may serve as a drug carrier due to its special micromorphology.
Microfluidic Applications in Drug Development: Fabrication of Drug Carriers and Drug Toxicity Screening
Authors: Zhao Pei , Wang Jianchun , Chen Chengmin , Wang Jianmei , Liu Guangxia , Nandakumar Krishnaswamy , Li Yan , Wang Liqiu
Published: January 2022

Microfluidic technology has been highly useful in nanovolume sample preparation, separation, synthesis, purification, detection and assay, which are advantageous in drug development. This review highlights the recent developments and trends in microfluidic applications in two areas of drug development. First, we focus on how microfluidics has been developed as a facile tool for the fabrication of drug carriers including microparticles and nanoparticles. Second, we discuss how microfluidic chips could be used as an independent platform or integrated with other technologies in drug toxicity screening. Challenges and future perspectives of microfluidic applications in drug development have also been provided considering the present technological limitations.
Dynamics of Tri-Hybrid Nanoparticles in the Rheology of Pseudo-Plastic Liquid with Dufour and Soret Effects
Authors: Hou Enran , Wang Fuzhang , Nazir Umar , Sohail Muhammad , Jabbar Noman , Thounthong Phatiphat
Published: January 2022

The rheology of different materials at the micro and macro levels is an area of great interest to many researchers, due to its important physical significance. Past experimental studies have proved the efficiency of the utilization of nanoparticles in different mechanisms for the purpose of boosting the heat transportation rate. The purpose of this study is to investigate heat and mass transport in a pseudo-plastic model past over a stretched porous surface in the presence of the Soret and Dufour effects. The involvement of tri-hybrid nanoparticles was incorporated into the pseudo-plastic model to enhance the heat transfer rate, and the transport problem of thermal energy and solute mechanisms was modelled considering the heat generation/absorption and the chemical reaction. Furthermore, traditional Fourier and Fick’s laws were engaged in the thermal and solute transportation. The physical model was developed upon Cartesian coordinates, and boundary layer theory was utilized in the simplification of the modelled problem, which appears in the form of coupled partial differential equations systems (PDEs). The modelled PDEs were transformed into corresponding ordinary differential equations systems (ODEs) by engaging the appropriate similarity transformation, and the converted ODEs were solved numerically via a Finite Element Procedure (FEP). The obtained solution was plotted against numerous emerging parameters. In addition, a grid independent survey is presented. We recorded that the temperature of the tri-hybrid nanoparticles was significantly higher than the fluid temperature. Augmenting the values of the Dufour number had a similar comportment on the fluid temperature and concentration. The fluid temperature increased against a higher estimation of the heat generation parameter and the Eckert numbers. The impacts of the buoyancy force parameter and the porosity parameter were quite opposite on the fluid velocity.
FEM Simulation of a High-Performance 128°Y–X LiNbO3/SiO2/Si Functional Substrate for Surface Acoustic Wave Gyroscopes
Authors: Ma Rui , Liu Weiguo , Sun Xueping , Zhou Shun , Lin Dabin
Published: January 2022

To obtain a high-performance surface acoustic wave (SAW) gyroscope substrate, the propagation characteristics and gyroscopic effect of Rayleigh waves in a 128°Y–X LiNbO3/SiO2/Si (LNOI) functional substrate were investigated with a three-dimensional finite element method. The influence of LNOI structural parameters on Rayleigh wave characteristics, including the phase velocity (vp), electromechanical coupling coefficient (K2) and temperature coefficient of frequency (TCF), were analyzed. The results demonstrate that the SiO2 layer compensates for the negative TCF of 128°Y–X LiNbO3 and enhances the K2 of the LNOI substrate. The Rayleigh wave velocity change of the LNOI substrate after rotations in different directions was studied. The gyroscope gain factor (η) represents the strength of the gyroscopic effect in the differential traveling wave SAW gyroscope and is defined. The ηy and ηz of the LNOI substrate with different structural parameters were investigated. Finally, an LNOI substrate with an hLN/λ of 0.2 and an hSiO2/λ of 0.05 was obtained by balancing the characteristic parameters, with a K2 of 3.96%, TCF of −18.75 ppm/°C and ηy of 0.26. The LNOI substrate has a better gyroscopic effect and temperature stability than the 128°Y–X LiNbO3 crystal. The LNOI substrate meets device miniaturization and integration needs.
Dual Antimicrobial Effect of Medium-Chain Fatty Acids against an Italian Multidrug Resistant Brachyspira hyodysenteriae Strain
Authors: Giovagnoni Giulia , Tugnoli Benedetta , Piva Andrea , Grilli Ester
Published: January 2022

The fastidious nature of Brachyspira hyodysenteriae limits an accurate in vitro pre-screening of conventionally used antibiotics and other candidate alternative antimicrobials. This results in a non-judicious use of antibiotics, leading to an exponential increase of the antibiotic resistance issue and a slowdown in the research for new molecules that might stop this serious phenomenon. In this study we tested four antibiotics (tylosin, lincomycin, doxycycline, and tiamulin) and medium-chain fatty acids (MCFA; hexanoic, octanoic, decanoic, and dodecanoic acid) against an Italian field strain of B. hyodysenteriae and the ATCC 27164 strain as reference. We determined the minimal inhibitory concentrations of these substances, underlining the multidrug resistance pattern of the field strain and, on the contrary, a consistent and stable inhibitory effect of the tested MCFA against both strains. Then, sub-inhibitory concentrations of antibiotics and MCFA were examined in modulating a panel of B. hyodysenteriae virulence genes (tlyA, tlyB, bhlp16, bhlp29.7, and bhmp39f). Results of gene expression analysis were variable, with up- and downregulations not properly correlated with particular substances or target genes. Decanoic and dodecanoic acid with their direct and indirect antimicrobial property were the most effective among MCFA, suggesting them as good candidates for subsequent in vivo trials.
Evolution of Black Talc upon Thermal Treatment
Authors: Meng Yuhang , Xie Weimin , Wu Haiyan , Tariq Sarwar Muhammad , Yang Huaming
Published: January 2022

Black talc is a natural silicate clay mineral with a typical 2:1 layered structure, low electrical conductivity, large specific surface area, and high thermal stability. The world’s largest black talc mine, with known reserves of one billion tons, is located in China’s Jiangxi province. Due to the restriction of its color, the application of black talc is only limited to ceramic raw materials, coating filler, waterproof materials, and other low-end application industries. Thermal treatment is a common method of clay mineral modification. It is vital to examine the structural and physical changes of black talc during calcination in order to prepare black-talc-based composites and to broaden their applications. This work discusses the evolution of black talc upon thermal treatment (30–1000 °C) and the corresponding structural changes. The thermal stability of minerals was analyzed via thermogravimetric (TG) analysis and thermogravimetry–mass spectrometry (TG-MS). The decomposition of minerals during calcination consists of four processes: dehydration, organic carbon decomposition, dihydroxylation, and phase transformation. In situ FTIR and in situ XRD were employed to track changes in black talc in real time during thermal treatment. At 800 °C, black talc was found to begin to go through dihydroxylation, and the crystallinity index decreased significantly. The XRD pattern of samples at 950 °C (T950) showed the reflection of the enstatite structure, and the relative crystallinity index was 27.3%, indicating that the mineral had undergone phase transformation. In addition, the Brunauer–Emmet–Teller (BET), laser particle size analyzer, Zeta potential, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques were used to systematically characterize the physicochemical properties of minerals at different temperatures. The results show that black talc’s particle size and specific surface area increase with the calcination temperature. The surface charge changes, and more amorphous SiO2 and MgO appear, indicating that thermal treatment could induce structural changes and activate the surface of black talc.
Modeling and Experimental Verification of Plasma Jet Electromagnetic Signals
Authors: Drexler Petr , Szabó Zoltán , Pernica Roman , Zukal Jiri , Kadlec Radim , Klíma Miloš , Fiala Pavel
Published: January 2022

Herein, we discuss the modeling and verification of RF sensed signals in a simple plasma channel (plasma jet) at the generator frequency of f = 13.56 MHz, assuming plasma discharge at atmospheric pressure. The actual experiment was preceded by a basic numerical analysis and evaluation of several variants of the geometric/numerical model of a simple plasma channel formed in a glass capillary chamber; this step was performed with different electrode configurations. The analyses also included the impact of the location of the sensing element (i.e., the antenna) on the resulting evaluated electromagnetic signal. Furthermore, a numerical model with concentrated parameters facilitated a comparative analysis centered on the impact of plasma concentration and composition in the monitored electromagnetic RF spectrum of the channel. The theoretical outputs were verified via experiments and compared. This methodology finds use in the radio-frequency evaluation of plasma parameters in both simple capillary nozzles and more complex, slit-designed plasma chambers.
Vibrational Property of α-Borophene Determined by Tip-Enhanced Raman Spectroscopy
Authors: Zhang Ping , Tian Xirui , Sheng Shaoxiang , Ma Chen , Chen Linjie , Feng Baojie , Cheng Peng , Zhang Yiqi , Chen Lan , Zhao Jin , Wu Kehui
Published: January 2022

We report a Raman characterization of the α borophene polymorph by scanning tunneling microscopy combined with tip-enhanced Raman spectroscopy. A series of Raman peaks were discovered, which can be well related with the phonon modes calculated based on an asymmetric buckled α structure. The unusual enhancement of high-frequency Raman peaks in TERS spectra of α borophene is found and associated with its unique buckling when landed on the Ag(111) surface. Our paper demonstrates the advantages of TERS, namely high spatial resolution and selective enhancement rule, in studying the local vibrational properties of materials in nanoscale.
Bioactive Compounds of Ganoderma boninense Inhibited Methicillin-Resistant Staphylococcus aureus Growth by Affecting Their Cell Membrane Permeability and Integrity
Authors: Chan Yow-San , Chong Khim-Phin
Published: January 2022

Some species of Ganoderma, such as G. lucidum, are well-known as traditional Chinese medicine (TCM), and their pharmacological value was scientifically proven in modern days. However, G. boninense is recognized as an oil palm pathogen, and its biological activity is scarcely reported. Hence, this study aimed to investigate the antibacterial properties of G. boninense fruiting bodies, which formed by condensed mycelial, produced numerous and complex profiles of natural compounds. Extract was cleaned up with normal-phase SPE and its metabolites were analyzed using liquid chromatography–mass spectrometry (LCMS). From the disc diffusion and broth microdilution assays, strong susceptibility was observed in methicillin-resistant Staphylococcus aureus (MRSA) in elute fraction with zone inhibition of 41.08 ± 0.04 mm and MIC value of 0.078 mg mL−1. A total of 23 peaks were detected using MS, which were putatively identified based on their mass-to-charge ratio (m/z), and eight compounds, which include aristolochic acid, aminoimidazole ribotide, lysine sulfonamide 11v, carbocyclic puromycin, fenbendazole, acetylcaranine, tigecycline, and tamoxifen, were reported in earlier literature for their antimicrobial activity. Morphological observation via scanning electron microscope (SEM), cell membrane permeability, and integrity assessment suggest G. boninense extract induces irreversible damage to the cell membrane of MRSA, thus causing cellular lysis and death.
Coffee Beverage: A New Strategy for the Synthesis of Polymethacrylates via ATRP
Authors: Surmacz Karolina , Błoniarz Paweł , Chmielarz Paweł
Published: January 2022

Coffee, the most popular beverage in the 21st century society, was tested as a reaction environment for activators regenerated by electron transfer atom transfer radical polymerization (ARGET ATRP) without an additional reducing agent. Two blends were selected: pure Arabica beans and a proportional blend of Arabica and Robusta beans. The use of the solution received from the mixture with Robusta obtained a high molecular weight polymer product in a short time while maintaining a controlled structure of the synthesized product. Various monomers with hydrophilic characteristics, i.e., 2-(dimethylamino)ethyl methacrylate (DMAEMA), oligo(ethylene glycol) methyl ether methacrylate (OEGMA500), and glycidyl methacrylate (GMA), were polymerized. The proposed concept was carried out at different concentrations of coffee grounds, followed by the determination of the molar concentration of caffeine in applied beverages using DPV and HPLC techniques.
Improved Cathepsin Probes for Sensitive Molecular Imaging
Authors: Yitzhak Yonit , Gaikwad Hanmant , Weiss-Sadan Tommy , Merquiol Emmanuelle , Turk Boris , Blum Galia
Published: January 2022

Cysteine cathepsin proteases are found under normal conditions in the lysosomal compartments of cells, where they play pivotal roles in a variety of cellular processes such as protein and lipid metabolism, autophagy, antigen presentation, and cell growth and proliferation. As a consequence, aberrant localization and activity contribute to several pathologic conditions such as a variety of malignancies, cardiovascular diseases, osteoporosis, and other diseases. Hence, there is a resurgence of interest to expand the toolkit to monitor intracellular cathepsin activity and better ascertain their functions under these circumstances. Previous fluorescent activity-based probes (ABPs) that target cathepsins B, L, and S enabled detection of their activity in intact cells as well as non-invasive detection in animal disease models. However, their binding potency is suboptimal compared to the cathepsin inhibitor on which they were based, as the P1 positive charge was capped by a reporter tag. Here, we show the development of an improved cathepsin ABP that has a P1 positive charge by linking the tag on an additional amino acid at the end of the probe. While enhancing potency towards recombinant cathepsins, the new probe had reduced cell permeability due to additional peptide bonds. At a second phase, the probe was trimmed; the fluorophore was linked to an extended carbobenzoxy moiety, leading to enhanced cell permeability and superb detection of cathepsin activity in intact cells. In conclusion, this work introduces a prototype design for the next generation of highly sensitive ABPs that have excellent detection of cellular cathepsin activity.
Photophysical Characteristics of Multicolor Emitting MDMO-PPV–DMP/ZnO Hybrid Nanocomposites
Authors: Al-Asbahi Bandar Ali , Alanezi Arwa Alhamedi , AlSalhi Mohamad S.
Published: January 2022

The tuning of photophysical properties of the poly[2-methoxy-5-(3,7-dimethyl-octyloxy)-1,4-phenylenevinylene]—end capped with dimethylphenyl (DMP), MDMO-PPV–DMP, was achieved by incorporation of ZnO NPs with various contents. Hybrid nanocomposites of MDMO-PPV–DMP with ZnO NPs were prepared by solution blending method and then deposited onto glass substrates. The structural properties of the hybrid nanocomposites samples were characterized using X-ray diffraction, FTIR, and FE-SEM, while their optical properties were extracted from the absorption and photoluminescence spectra. The energy band gap, energy tail, steepness parameter, and CIE chromatic coordinates were tuned by increase the content of ZnO NPs into the polymer matrix. The ZnO NPs incorporation assists the emission wavelength shift and multicolor emitting from the hybrid nanocomposites.
Gallic Acid Mitigates 5-Hydroxymethylfurfural Formation while Enhancing or Preserving Browning and Antioxidant Activity Development in Glucose/Arginine and Sucrose/Arginine Maillard Model Systems
Authors: Abrantes Thaísa , Moura-Nunes Nathália , Perrone Daniel
Published: January 2022

The current trend of lowering 5-hydroxymethylfurfural (5-HMF) dietary exposure is challenging since its formation is parallel with the development of food color, flavor and aroma. We aimed to investigate the effect of gallic acid (GA) addition on 5-HMF formation, color development and antioxidant activity (AA) in a series of Maillard Reaction (MR) model systems. The effects of GA addition on browning and AA development were not uniform for all model systems, but always occurred in the same direction, indicating that these phenomena were interconnected. GA mitigated 5-HMF development in four of the nine tested systems, possibly by preventing the oxidation of MR intermediates. Correlation analysis indicated that when GA addition mitigated 5-HMF formation, browning was either promoted or not affected. The proposed strategy was effective for glucose/arginine and sucrose/arginine systems, since GA mitigated 5-HMF formation (49% and 54%, respectively) in addition to increasing color development and antioxidant activity.
Newly Emerging Strategies in Antiviral Drug Discovery: Dedicated to Prof. Dr. Erik De Clercq on Occasion of His 80th Anniversary
Authors: Xu Shujing , Ding Dang , Zhang Xujie , Sun Lin , Kang Dongwei , Huang Boshi , Liu Xinyong , Zhan Peng
Published: January 2022

Viral infections pose a persistent threat to human health. The relentless epidemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a global health problem, with millions of infections and fatalities so far. Traditional approaches such as random screening and optimization of lead compounds by organic synthesis have become extremely resource- and time-consuming. Various modern innovative methods or integrated paradigms are now being applied to drug discovery for significant resistance in order to simplify the drug process. This review provides an overview of newly emerging antiviral strategies, including proteolysis targeting chimera (PROTAC), ribonuclease targeting chimera (RIBOTAC), targeted covalent inhibitors, topology-matching design and antiviral drug delivery system. This article is dedicated to Prof. Dr. Erik De Clercq, an internationally renowned expert in the antiviral drug research field, on the occasion of his 80th anniversary.
Antidiabetic Potential of Volatile Cinnamon Oil: A Review and Exploration of Mechanisms Using In Silico Molecular Docking Simulations
Authors: Stevens Nicole , Allred Kathryn
Published: January 2022

Cinnamon has been used as a flavoring and medicinal agent for centuries. Much research has focused on cinnamon bark powder, which contains antioxidants, flavonoids, carotenoids, vitamins, minerals, fiber, and small amounts of essential oil. However, isolated and concentrated cinnamon essential oil may also have important medicinal qualities, particularly in antidiabetic therapy. Some of the most common essential oil constituents identified in the literature include cinnamaldehyde, eugenol, and beta-caryophyllene. Due to their high concentration in cinnamon essential oil, these constituents are hypothesized to have the most significant physiological activity. Here, we present a brief review of literature on cinnamon oil and its constituents as they relate to glucose metabolism and diabetic pathogenesis. We also present molecular docking simulations of these cinnamon essential oil constituents (cinnamaldehyde, eugenol, beta-caryophyllene) that suggest interaction with several key enzymes in glucometabolic pathways.
Total Phenolic Content and Antioxidant and Antimicrobial Activities of Papaver rhoeas L. Organ Extracts Growing in Taounate Region, Morocco
Authors: Hmamou Anouar , Eloutassi Noureddine , Alshawwa Samar Zuhair , Al kamaly Omkulthom , Kara Mohammed , Bendaoud Ahmed , El-Assri El-Mehdi , Tlemcani Sara , El Khomsi Mostafa , Lahkimi Amal
Published: January 2022

The objective of this study is to valorize Papaver rhoeas L. from the Taounate region of Morocco by determining the total polyphenol content (TPC), the total flavonoid content (TFC) and the antioxidant and antimicrobial activities of four organs. The quantification of TPC and TFC in root, stem, leaf and flower extracts (RE, SE, LE and FE, respectively) was estimated by the Folin–Ciocalteu reaction and the aluminum trichloride method, respectively. Two tests were used to assess antioxidant power: the DPPH test and TAC assay. The antimicrobial activity was studied against five pathogenic bacteria and yeast, using two methods: disk diffusion and microdilution. The TPC in LE and LF was twice as high as that in RE and SE (24.24 and 22.10 mg GAE/g, respectively). The TFC values in the four extracts were very close and varied between 4.50 mg QE/g in the FE and 4.38 mg QE/g in the RE. The LE and FE showed low DPPH values with IC50 = 0.50 and 0.52 mg/mL, respectively. The TAC measurement revealed the presence of a significant amount of antioxidants in the studied extracts, mainly in LE and FE (6.60 and 5.53 mg AAE/g, respectively). The antimicrobial activity results revealed significant activity on almost all of the tested strains. The MIC of FE and SE against E. coli 57 was 1.56 and 0.78 mg/mL, respectively, while against the S. aureus it was 50 and 25 mg/mL, respectively. The low MLC value (1.56 mg/mL) was recorded against E. coli 57 by RE and SE.
LC-MS/MS Screening, Total Phenolic, Flavonoid and Antioxidant Contents of Crude Extracts from Three Asclepiadaceae Species Growing in Jordan
Authors: Al-Dalahmeh Yousef , Al-Bataineh Nezar , Al-Balawi Sara S. , Lahham Jamil N. , Al-Momani Idrees F. , Al-Sheraideh Mohammed S. , Mayyas Abdulraouf S. , Abu Orabi Sultan T. , Al-Qudah Mahmoud A.
Published: January 2022

This study aimed to evaluate the antioxidant activity and total phenolic content (TPC) and total flavonoid content (TFC) of crude extracts obtained from three Asclepiadaceae species, namely, Calotropis procera L., Peruglaria tomentosa L., and Pentatropis spiralis (Forsk.) Decne. Both butanol and aq. methanol extracts of the three species showed the highest amount of phenol and flavonoid contents, which exhibited the greatest antioxidant activity in the scavenging of 2,2-diphenyl-2-picrylhydrazyl free radical (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt radical cation (ABTS), ferrous chelating effect (FIC), and hydroxyl radical (HDR) assays. Phytochemical screening of the extracts revealed the presence of alkaloids, tannins, sponins, flavonoids, terpenoids, and glycosides. LC-MS analysis was carried out to identify the major compounds from each crude extract. A total of 12 phenolic compounds in the extracts of the 3 species were identified and quantified, including 9 flavonoids, 2 hydroxybenzoic acids, and 3 hydroxycinnamic acids. The current study also revealed a good correlation between total phenolic contents and the observed antioxidant activity of the crude extracts.
Preparation, Characterization, and Evaluation of Liposomes Containing Oridonin from Rabdosia rubescens
Authors: Wang Yinyue , Wang Mai , Lin Feier , Zhang Xinyan , Zhao Yongming , Guo Chunyan , Wang Jin
Published: January 2022

Due to the remarkable anti-tumor activities of oridonin (Ori), research on Rabdosia rubescens has attracted more and more attention in the pharmaceutical field. The purpose of this study was to extract Ori from R. rubescens by ultrasound-assisted extraction (UAE) and prepare Ori liposomes as a novel delivery system to improve the bioavailability and biocompatibility. Response surface methodology (RSM), namely Box-Behnken design (BBD), was applied to optimize extraction conditions, formulation, and preparation process. The results demonstrated that the optimal extraction conditions were an ethanol concentration of 75.9%, an extraction time of 35.7 min, and a solid/liquid ratio of 1:32.6. Under these optimal conditions, the extraction yield of Ori was 4.23 mg/g, which was well matched with the predicted value (4.28 mg/g). The optimal preparation conditions of Ori liposomes by RSM, with an ultrasonic time of 41.1 min, a soybean phospholipids/drug ratio of 9.6 g/g, and a water bath temperature of 53.4 °C, had higher encapsulation efficiency (84.1%). The characterization studies indicated that Ori liposomes had well-dispersible spherical shapes and uniform sizes with a particle size of 137.7 nm, a polydispersity index (PDI) of 0.216, and zeta potential of −24.0 mV. In addition, Ori liposomes presented better activity than free Ori. Therefore, the results indicated that Ori liposomes could enhance the bioactivity of Ori, being proposed as a promising vehicle for drug delivery.
Unexpected Antioxidant Efficiency of Chlorogenic Acid Phenolipids in Fish Oil-in-Water Nanoemulsions: An Example of How Relatively Low Interfacial Concentrations Can Make Antioxidants to Be Inefficient
Authors: Costa Marlene , Losada-Barreiro Sonia , Vicente António , Bravo-Díaz Carlos , Paiva-Martins Fátima
Published: January 2022

Selecting effective antioxidants is challenging since their efficiency in inhibiting lipid oxidation depends on the rate constants of the chemical reactions involved and their concentration at the reaction site, i.e., at the interfacial region. Accumulation of antioxidants at the interface of emulsions is key to modulate their efficiency in inhibiting lipid oxidation but its control was not well understood, especially in emulsions. It can be optimized by modifying the physicochemical properties of antioxidants or the environmental conditions. In this work, we analyze the effects of surfactant concentration, droplet size, and oil to water ratio on the effective interfacial concentration of a set of chlorogenic acid (CGA) esters in fish oil-in-water (O/W) emulsions and nanoemulsions and on their antioxidant efficiency. A well-established pseudophase kinetic model is used to determine in the intact emulsified systems the effective concentrations of the antioxidants (AOs). The relative oxidative stability of the emulsions is assessed by monitoring the formation of primary oxidation products with time. Results show that the concentration of all AOs at the interfacial region is much higher (20–90 fold) than the stoichiometric one but is much lower than those of other phenolipid series such as caffeic or hydroxytyrosol derivatives. The main parameter controlling the interfacial concentration of antioxidants is the surfactant volume fraction, ΦI, followed by the O/W ratio. Changes in the droplet sizes (emulsions and nanoemulsions) have no influence on the interfacial concentrations. Despite the high radical scavenging capacity of CGA derivatives and their being concentrated at the interfacial region, the investigated AOs do not show a significant effect in inhibiting lipid oxidation in contrast with what is observed using other series of homologous antioxidants with similar reactivity. Results are tentatively interpreted in terms of the relatively low interfacial concentrations of the antioxidants, which may not be high enough to make the rate of the inhibition reaction faster than the rate of radical propagation.
Preparation of Losartan Potassium Controlled Release Matrices and In-Vitro Investigation Using Rate Controlling Agents
Authors: Khan Kamran Ahmad , Khan Gul Majid , Muzammal Muhammad , Al Mohaini Mohammed , Alsalman Abdulkhaliq J. , Al Hawaj Maitham A. , Ahmad Ashfaq , Niazi Zahid Rasul , Shah Kifayat Ullah , Farid Arshad
Published: January 2022

Controlled release matrices have predictable drug release kinetics, provide drugs for an extended period of time, and reduce dosing frequency with improved patient compliance as compared with conventional tablet dosage forms. In the current research work, losartan potassium controlled release matrix tablets were fabricated and prepared with rate altering agents; that is, Ethocel grade 100 combined with Carbopol 934PNF. Various drug to polymer ratios were used. HPMC, CMC, and starch were incorporated in some of the matrices by replacing some amount of filler (5%). The direct compression method was adopted for the preparation of matrices. In phosphate buffer (pH 6.8), the dissolution study was conducted by adopting the USP method-I as the specified method. Drug release kinetics was determined and dissolution profiles were also compared with the reference standard. Prolonged release was observed for all matrices, but those with Ethocel 100FP Premium showed more extended release. The co-excipient (HPMC, CMC, and starch) exhibited enhancement in the drug release rates, while all controlled release matrices released the drug by anamolous non-Fickian diffusion mechanism. This combination of polymers (Ethocel grade 100 with Carbopol 934PNF) efficiently extended the drug release rates up to 24 h. It is suggested that these matrix tablets can be given in once a day dosage, which might improve patient compliance, and the polymeric blend of Ethocel grade 100 with Carbopol 934PNF might be used in the development of prolonged release matrices of other water-soluble drugs.
Directed Evolution of a Nonheme Diiron N-oxygenase AzoC for Improving Its Catalytic Efficiency toward Nitrogen Heterocycle Substrates
Authors: Xu Ye , Liu Xiao-Fang , Chen Xin-Ai , Li Yong-Quan
Published: January 2022

The azoxy compounds with an intriguing chemical bond [-N=N+(-O−)-] are known to have broad applications in many industries. Our previous work revealed that a nonheme diiron N-oxygenase AzoC catalyzed the oxidization of amino-group to its nitroso analogue in the formation of azoxy bond in azoxymycins biosynthesis. However, except for the reported pyridine alkaloid azoxy compounds, most azoxy bonds of nitrogen heterocycles have not been biosynthesized so far, and the substrate scope of AzoC is limited to p-aminobenzene-type compounds. Therefore, it is very meaningful to use AzoC to realize the biosynthesis of azoxy nitrogen heterocycles compounds. In this work, we further studied the catalytic potential of AzoC toward nitrogen heterocycle substrates including 5-aminopyrimidine and 5-aminopyridine compounds to form new azoxy compounds through directed evolution. We constructed a double mutant L101I/Q104R via molecular engineering with improved catalytic efficiency toward 2-methoxypyrimidin-5-amine. These mutations also proved to be beneficial for N-oxygenation of methyl 5-aminopyrimidine-2-carboxylate. The structural analysis showed that relatively shorter distance between the substrate and the diiron center and amino acid residues of the active center may be responsible for the improvement of catalytic efficiency in L101I/Q104R. Our results provide a molecular basis for broadening the AzoC catalytic activity and its application in the biosynthesis of azoxy six-membered nitrogen catenation compounds.
Phenylalanine-Based AMPA Receptor Antagonist as the Anticonvulsant Agent with Neuroprotective Activity—In Vitro and In Vivo Studies
Authors: Latacz Gniewomir , Sałat Kinga , Furgała-Wojas Anna , Martyniak Adrian , Olejarz-Maciej Agnieszka , Honkisz-Orzechowska Ewelina , Szymańska Ewa
Published: January 2022

Trying to meet the multitarget-directed ligands strategy, a series of previously described aryl-substituted phenylalanine derivatives, reported as competitive antagonists of α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors, were screened in vitro for their free-radical scavenging and antioxidant capacity in two different assays: ferric reducing antioxidant power (FRAP) and oxygen radical absorbance capacity fluorescent (ORAC-FL) assays. The most active antioxidants 1 and 8 were further examined to evaluate their neuroprotective properties in vitro. In this study, compound 1 showed a significant neuroprotective effect against the neurotoxin 6-hydroxydopamine in neuroblastoma SH-SY5Y and IMR-32 cell lines. Both compounds also showed prevention from high levels of reactive oxygen species (ROS) in SH-SY5Y cells. Furthermore, the desired monoamine oxidase B (MAO-B) inhibition effect (IC50 = 278 ± 29 nM) for 1 was determined. No toxic effects up to 100 µM of 1 and 8 against neuroblastoma cells were observed. Furthermore, in vivo studies showed that compound 1 demonstrated significant anticonvulsant potential in 6-Hz test, but in neuropathic pain models its antiallodynic and antihyperalgesic properties were not observed. Concluding, the compound 1 seems to be of higher importance as a new phenylalanine-based lead candidate due to its confirmed promise in in vitro and in vivo anticonvulsant activity.
Antioxidant and Antitumor Activities of Newly Synthesized Hesperetin Derivatives
Authors: Zhong Guanlin , Shen Jiayi , Chen Zhengwang , Lin Zunxian , Long Lipeng , Wu Jiaying , Long Chenhuan , Huang Siyu , Lian Ping , Luo Guotian
Published: January 2022

Hesperetin is a class of natural products with a wide range of sources and remarkable biological activities. In this study, we described the synthesis of a series of novel hesperetin derivatives and evaluated the in vitro antioxidant and antitumor activity of these compounds. Eleven novel compounds were synthesized in moderate yields. The compounds synthesized in this work exhibited antioxidant activities against DPPH and ABTS free radicals in a dose-dependent manner. Among them, compound 3f had the best antioxidant activity, with IC50 of 1.2 μM and 24 μM for DPPH and ABTS, respectively. The antitumor activity of the compounds against human cancer cell lines, such as breast MCF-7, liver HepG2, and cervical Hela, was determined by a standard 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide (MTT) assay. Three compounds had moderate IC50 values. Interestingly, compound 3f had better biological activity than hesperetin, which matches the prediction by Maestro from Schrödinger. Therefore, the new hesperidin derivative is a promising drug for the treatment of cancer due to its effective antitumor activity. The results also suggested that the antitumor activities of hesperetin derivatives may be related to their antioxidant activities.
End-to-End Modeling and Transfer Learning for Audiovisual Emotion Recognition in-the-Wild
Authors: Dresvyanskiy Denis , Ryumina Elena , Kaya Heysem , Markitantov Maxim , Karpov Alexey , Minker Wolfgang
Published: January 2022

As emotions play a central role in human communication, automatic emotion recognition has attracted increasing attention in the last two decades. While multimodal systems enjoy high performances on lab-controlled data, they are still far from providing ecological validity on non-lab-controlled, namely “in-the-wild” data. This work investigates audiovisual deep learning approaches to emotion recognition in in-the-wild problem. Inspired by the outstanding performance of end-to-end and transfer learning techniques, we explored the effectiveness of architectures in which a modality-specific Convolutional Neural Network (CNN) is followed by a Long Short-Term Memory Recurrent Neural Network (LSTM-RNN) using the AffWild2 dataset under the Affective Behavior Analysis in-the-Wild (ABAW) challenge protocol. We deployed unimodal end-to-end and transfer learning approaches within a multimodal fusion system, which generated final predictions using a weighted score fusion scheme. Exploiting the proposed deep-learning-based multimodal system, we reached a test set challenge performance measure of 48.1% on the ABAW 2020 Facial Expressions challenge, which advances the first-runner-up performance.
Improving the Melting Duration of a PV/PCM System Integrated with Different Metal Foam Configurations for Thermal Energy Management
Authors: Al-Najjar Hussein , Mahdi Jasim , Bokov Dmitry , Khedher Nidhal , Alshammari Naif , Catalan Opulencia Maria , Fagiry Moram , Yaïci Wahiba , Talebizadehsardari Pouyan
Published: January 2022

The melting duration in the photovoltaic/phase-change material (PV/PCM) system is a crucial parameter for thermal energy management such that its improvement can realize better energy management in respect to thermal storage capabilities, thermal conditions, and the lifespan of PV modules. An innovative and efficient technique for improving the melting duration is the inclusion of an exterior metal foam layer in the PV/PCM system. For detailed investigations of utilizing different metal foam configurations in terms of their convective heat transfer coefficients, the present paper proposes a newly developed mathematical model for the PV/PCM–metal foam assembly that can readily be implemented with a wide range of operating conditions. Both computational fluid dynamic (CFD) and experimental validations proved the good accuracy of the proposed model for further applications. The present research found that the average PV cell temperature can be reduced by about 12 °C with a corresponding improvement in PCM melting duration of 127%. The addition of the metal foam is more effective at low solar radiation, ambient temperatures far below the PCM solidus temperature, and high wind speeds in nonlinear extension. With increasing of tilt angle, the PCM melting duration is linearly decreased by an average value of (13.4–25.0)% when the metal foam convective heat transfer coefficient is changed in the range of (0.5–20) W/m2.K. The present research also shows that the PCM thickness has a positive linear effect on the PCM melting duration, however, modifying the metal foam configuration from 0.5 to 20 W/m2.K has an effect on the PCM melting duration in such a way that the average PCM melting duration is doubled. This confirms the effectiveness of the inclusion of metal foam in the PV/PCM system.
Multimodal Contrast Agent Enabling pH Sensing Based on Organically Functionalized Gold Nanoshells with Mn-Zn Ferrite Cores
Authors: Bui Duong Thuy , Havelek Radim , Královec Karel , Kubíčková Lenka , Kuličková Jarmila , Matouš Petr , Herynek Vít , Kupčík Jaroslav , Muthná Darina , Řezanka Pavel , Kaman Ondřej
Published: January 2022

Highly complex nanoparticles combining multimodal imaging with the sensing of physical properties in biological systems can considerably enhance biomedical research, but reports demonstrating the performance of a single nanosized probe in several imaging modalities and its sensing potential at the same time are rather scarce. Gold nanoshells with magnetic cores and complex organic functionalization may offer an efficient multimodal platform for magnetic resonance imaging (MRI), photoacoustic imaging (PAI), and fluorescence techniques combined with pH sensing by means of surface-enhanced Raman spectroscopy (SERS). In the present study, the synthesis of gold nanoshells with Mn-Zn ferrite cores is described, and their structure, composition, and fundamental properties are analyzed by powder X-ray diffraction, X-ray fluorescence spectroscopy, transmission electron microscopy, magnetic measurements, and UV-Vis spectroscopy. The gold surface is functionalized with four different model molecules, namely thioglycerol, meso-2,3-dimercaptosuccinate, 11-mercaptoundecanoate, and (11-mercaptoundecyl)-N,N,N-trimethylammonium bromide, to analyze the effect of varying charge and surface chemistry on cells in vitro. After characterization by dynamic and electrophoretic light scattering measurements, it is found that the particles do not exhibit significant cytotoxic effects, irrespective of the surface functionalization. Finally, the gold nanoshells are functionalized with a combination of 4-mercaptobenzoic acid and 7-mercapto-4-methylcoumarin, which introduces a SERS active pH sensor and a covalently attached fluorescent tag at the same time. 1H NMR relaxometry, fluorescence spectroscopy, and PAI demonstrate the multimodal potential of the suggested probe, including extraordinarily high transverse relaxivity, while the SERS study evidences a pH-dependent spectral response.
Theoretical Evaluation of Impact Characteristics of Wavy Graphene Sheets with Disclinations Formed by Origami and Kirigami
Authors: Tomioka Yoshitada , Natsuki Toshiaki , Shi Jin-Xing , Lei Xiao-Wen
Published: January 2022

Evaluation of impact characteristics of carbon nanomaterials is very important and helpful for their application in nanoelectromechanical systems (NEMS). Furthermore, disclination lattice defects can generate out-of-plane deformation to control the mechanical behavior of carbon nanomaterials. In this study, we design novel stable wavy graphene sheets (GSs) using a technique based on origami and kirigami to control the exchange of carbon atoms and generate appropriate disclinations. The impact characteristics of these GSs are evaluated using molecular dynamics (MD) simulation, and the accuracy of the simulation results is verified via a theoretical analysis based on continuum mechanics. In the impact tests, the C60 fullerene is employed as an impactor, and the effects of the different shapes of wavy GSs with different disclinations, different impact sites on the curved surface, and different impact velocities are examined to investigate the impact characteristics of the wavy GSs. We find that the newly designed wavy GSs increasingly resist the kinetic energy (KE) of the impactor as the disclination density is increased, and the estimated KE propagation patterns are significantly different from those of the ideal GS. Based on their enhanced performance in the impact tests, the wavy GSs possess excellent impact behavior, which should facilitate their potential application as high-impact-resistant components in advanced NEMS.
Blasius–Rayleigh–Stokes Flow of Hybrid Nanomaterial Liquid Past a Stretching Surface with Generalized Fourier’s and Fick’s Law
Authors: Jiang Yingzi , Zhang Juan , Abdeljawad Thabet , Ahmad Shafiq , Naveed Khan Muhammad , Rehman Aysha , Almaliki Abdulrazak , El-Shafay Ahmed
Published: January 2022

The effect of Stefan blowing on the Cattaneo–Christov characteristics of the Blasius–Rayleigh–Stokes flow of self-motive Ag-MgO/water hybrid nanofluids, with convective boundary conditions and a microorganism density, are examined in this study. Further, the impact of the transitive magnetic field, ablation/accretion, melting heat, and viscous dissipation effects are also discussed. By performing appropriate transformations, the mathematical models are turned into a couple of self-similarity equations. The bvp4c approach is used to solve the modified similarity equations numerically. The fluid flow, microorganism density, energy, and mass transfer features are investigated for dissimilar values of different variables including magnetic parameter, volume fraction parameter, Stefan blowing parameter, thermal and concentration Biot number, Eckert number, thermal and concentration relaxation parameter, bio-convection Lewis parameter, and Peclet number, to obtain a better understanding of the problem. The liquid velocity is improved for higher values of the volume fraction parameter and magnetic characteristic, due to the retardation effect. Further, a higher value of the Stefan blowing parameter improves the liquid momentum and velocity boundary layer thickness.
An Effective Photocatalytic Degradation of Industrial Pollutants through Converting Titanium Oxide to Magnetic Nanotubes and Hollow Nanorods by Kirkendall Effect
Authors: Saber Osama , Kotb Hicham Mahfoz , Osama Mostafa , Khater Hassan A.
Published: January 2022

Controlling of morphology from nanoparticles to magnetic nanotubes and hollow nanorods are interesting for developing the photo-active materials and their applications in the field of photocatalysis and decontamination of aquatic effluents. In the current study, titanium dioxide nanoparticles and nanocomposites were prepared by different techniques to produce various morphologies. The nanoparticles of pure titanium dioxide were prepared by sol-gel technique. Magnetic nanotubes and hollow nanorods were prepared by combining titanium with di- and tri-valent iron through two stages: urea hydrolysis and solvent thermal technique. According to the Kirkendall effect, magnetic nanotubes were fabricated by unequal diffusion of Fe2+, Fe3+ and Ti4+ inside the nanocomposite to produce maghemite-titanian phase. In the same trend, hollow nanorods were synthesized by limited diffusion of both trivalent iron and tetravalent titanium producing amorphous structure of titanium iron oxides. The magnetic and optical properties showed that these nanotubes and hollow nanorods are magnetically active and optically more effective compared with titanium dioxide nanoparticles. Therefore, the Naphthol green B dye completely disappeared after 45 min of UV light irradiation in presence of the hollow nanorods. The kinetic study confirmed the high performance of the hollow nanorods for the photocatalytic degradation of Naphthol green B compared with titanium dioxide nanoparticles.
Anti-Inflammatory and Anti-Catabolic Effects of Creatine Supplementation: A Brief Review
Authors: Cordingley Dean M. , Cornish Stephen M. , Candow Darren G.
Published: January 2022

It is well established that creatine supplementation, primarily when combined with resistance training, significantly increases measures of muscle mass and performance (primarily strength). Emerging research also indicates that creatine supplementation may have favorable effects on measures of bone biology. These anabolic adaptations may be related to creatine influencing cellular hydration status, high-energy phosphate metabolism, growth factors, muscle protein kinetics, and the bone remodeling process. Accumulating research also suggests that creatine supplementation has anti-inflammatory and anti-catabolic properties, which may help create a favorable environment for muscle and bone accretion and recovery from exercise. Creatine supplementation has the ability to decrease markers of inflammation and possibly attenuate cancerous tumor growth progression. From a musculoskeletal perspective, there is some evidence to show that creatine supplementation reduces measures of muscle protein catabolism (primarily in males) and bone resorption when combined with resistance training. The purpose of this brief review is to summarize the current body of literature examining the potential anti-inflammatory and anti-catabolic effects of creatine supplementation across various research populations.