bluuebunny/crossref_metadata_2025 huggingface dataset:
Insight into the Mechanical Performance of the UHPC Repaired Cementitious Composite System after Exposure to High Temperatures
Authors: Chen Qing , Zhu Zhiyuan , Ma Rui , Jiang Zhengwu , Zhang Yao , Zhu Hehua
Published: July 2021

In this paper, the mechanical performance of an ultra-high-performance concrete (UHPC) repaired cementitious composite system, including the old matrix and the new reinforcement (UHPC), under various high temperature levels (20 °C, 100 °C, 300 °C, and 500 °C) was studied. In this system, UHPC reinforced with different contents of steel fibers and polypropylene (PP) fibers was utilized. Moreover, the physical, compressive, bonding, and flexural behaviors of the UHPC repaired system after being exposed to different high temperatures were investigated. Meanwhile, X-ray diffraction (XRD), baseline evaluation test (BET), and scanning electron microscope (SEM) tests were conducted to analyze the effect of high temperature on the microstructural changes in a UHPC repaired cementitious composite system. Results indicate that the appearance of the bonded system changed, and its mass decreased slightly. The average percentage of residual mass of the system was 99.5%, 96%, and 94–95% at 100 °C, 300 °C, and 500 °C, respectively. The residual compressive strength, bonding strength, and flexural performance improved first and then deteriorated with the increase of temperature. When the temperature reached 500 °C, the compressive strength, bonding strength, and flexural strength decreased by about 20%, 30%, and 15% for the UHPC bonded system, respectively. Under high temperature, the original components of UHPC decreased and the pore structure deteriorated. The cumulative pore volume at 500 °C could reach more than three times that at room temperature (about 20 °C). The bonding showed obvious deterioration, and the interfacial structure became looser after exposure to high temperature.
Effect of Surface Structure Complexity on Interfacial Droplet Behavior of Superhydrophobic Titanium Surfaces for Robust Dropwise Condensation
Authors: Jeong Je-Un , Ji Dae-Yun , Lee Kwon-Yeong , Hwang Woonbong , Lee Chang-Hun , Kim Sung-Jae , Lee Jeong-Won
Published: July 2021

In general, the dropwise condensation supported by superhydrophobic surfaces results in enhanced heat transfer relative to condensation on normal surfaces. However, in supersaturated environments that exceed a certain supersaturation threshold, moisture penetrates the surface structures and results in attached condensation, which reduces the condensation heat transfer efficiency. Therefore, when designing superhydrophobic surfaces for condensers, the surface structure must be resistant to attached condensation in supersaturated conditions. The gap size and complexity of the micro/nanoscale surface structure are the main factors that can be controlled to maintain water repellency in supersaturated environments. In this study, the condensation heat exchange performance was characterized for three different superhydrophobic titanium surface structures via droplet behavior (DB) mapping to evaluate their suitability for power plant condensers. In addition, it was demonstrated that increasing the surface structure complexity increases the versatility of the titanium surfaces by extending the window for improved heat exchange performance. This study demonstrates the usefulness of DB mapping for evaluating the performance of superhydrophobic surfaces regarding their applicability for industrial condenser systems.
Electronic Structure of Ternary Alloys of Group III and Rare Earth Nitrides
Authors: Winiarski Maciej J.
Published: July 2021

Electronic structures of ternary alloys of group III (Al, Ga, In) and rare earth (Sc, Y, Lu) nitrides were investigated from first principles. The general gradient approximation (GGA) was employed in predictions of structural parameters, whereas electronic properties of the alloys were studied with the modified Becke–Johnson GGA approach. The evolution of structural parameters in the materials reveals a strong tendency to flattening of the wurtzite type atomic layers. The introduction of rare earth (RE) ions into Al- and In-based nitrides leads to narrowing and widening of a band gap, respectively. Al-based materials doped with Y and Lu may also exhibit a strong band gap bowing. The increase of a band gap was obtained for Ga1−xScxN alloys. Relatively small modifications of electronic structure related to a RE ion content are expected in Ga1−xYxN and Ga1−xLuxN systems. The findings presented in this work may encourage further experimental investigations of electronic structures of mixed group III and RE nitride materials because, except for Sc-doped GaN and AlN systems, these novel semiconductors were not obtained up to now.
Stable Topological Summaries for Analyzing the Organization of Cells in a Packed Tissue
Authors: Atienza Nieves , Jimenez Maria-Jose , Soriano-Trigueros Manuel
Published: July 2021

We use topological data analysis tools for studying the inner organization of cells in segmented images of epithelial tissues. More specifically, for each segmented image, we compute different persistence barcodes, which codify the lifetime of homology classes (persistent homology) along different filtrations (increasing nested sequences of simplicial complexes) that are built from the regions representing the cells in the tissue. We use a complete and well-grounded set of numerical variables over those persistence barcodes, also known as topological summaries. A novel combination of normalization methods for both the set of input segmented images and the produced barcodes allows for the proven stability results for those variables with respect to small changes in the input, as well as invariance to image scale. Our study provides new insights to this problem, such as a possible novel indicator for the development of the drosophila wing disc tissue or the importance of centroids’ distribution to differentiate some tissues from their CVT-path counterpart (a mathematical model of epithelia based on Voronoi diagrams). We also show how the use of topological summaries may improve the classification accuracy of epithelial images using a Random Forest algorithm.
Generalizations of Hardy Type Inequalities by Abel–Gontscharoff’s Interpolating Polynomial
Authors: Krulić Himmelreich Kristina , Pečarić Josip , Pokaz Dora , Praljak Marjan
Published: July 2021

In this paper, we extend Hardy’s type inequalities to convex functions of higher order. Upper bounds for the generalized Hardy’s inequality are given with some applications.
Non-Statistical Method for Validation the Time Characteristics of Digital Control Systems with a Cyclic Processing Algorithm
Authors: Promyslov Vitaly , Semenkov Kirill
Published: July 2021

The paper discusses the problem of performance and timing parameters with respect to the validation of digital instrumentation and control systems (I&C). Statistical methods often implicitly assume that the probability distribution law of the estimated parameters is close to normal. Thus, the confidence intervals for the parameter are determined on the grounds of this assumption. However, we encountered cases when the delay distribution law in I&C is not normal. In these cases, we used the non-statistical network calculus method for time parameters estimation. The network calculus method is well elaborated for lossless digital system models with seamless processing algorithm depending only on data volume. We consider the extension of the method to the case of I&C systems with considerable changes in the data flow and content-dependent processing disciplines. The model is restricted to systems with cyclic processing algorithms and fast network connections. Network calculus describes the data flow and system parameters in terms of flow envelopes and service curves that are generally unknown in advance. In this paper, we define equations that allow the calculation of these characteristics from experimental data. The correspondence of the Network Calculus and classical statistical estimation methods is discussed. Additionally, we give an example of model application to a real I&C system.
Complexity Constraint in the Distributor’s Pallet Loading Problem
Authors: Barros Hugo , Pereira Teresa , Ramos António G. , Ferreira Fernanda A.
Published: July 2021

This paper presents a study on the complexity of cargo arrangements in the pallet loading problem. Due to the diversity of perspectives that have been presented in the literature, complexity is one of the least studied practical constraints. In this work, we aim to refine and propose a new set of metrics to measure the complexity of an arrangement of cargo in a pallet. The parameters are validated using statistical methods, such as principal component analysis and multiple linear regression, using data retrieved from the company logistics. Our tests show that the number of boxes was the main variable responsible for explaining complexity in the pallet loading problem.
Clinical Effects of Immersive Multimodal BCI-VR Training after Bilateral Neuromodulation with rTMS on Upper Limb Motor Recovery after Stroke. A Study Protocol for a Randomized Controlled Trial
Authors: Sánchez-Cuesta Francisco José , Arroyo-Ferrer Aida , González-Zamorano Yeray , Vourvopoulos Athanasios , Badia Sergi Bermúdez i , Figuereido Patricia , Serrano José Ignacio , Romero Juan Pablo
Published: July 2021

Background and Objectives: The motor sequelae after a stroke are frequently persistent and cause a high degree of disability. Cortical ischemic or hemorrhagic strokes affecting the cortico-spinal pathways are known to cause a reduction of cortical excitability in the lesioned area not only for the local connectivity impairment but also due to a contralateral hemisphere inhibitory action. Non-invasive brain stimulation using high frequency repetitive magnetic transcranial stimulation (rTMS) over the lesioned hemisphere and contralateral cortical inhibition using low-frequency rTMS have been shown to increase the excitability of the lesioned hemisphere. Mental representation techniques, neurofeedback, and virtual reality have also been shown to increase cortical excitability and complement conventional rehabilitation. Materials and Methods: We aim to carry out a single-blind, randomized, controlled trial aiming to study the efficacy of immersive multimodal Brain–Computer Interfacing-Virtual Reality (BCI-VR) training after bilateral neuromodulation with rTMS on upper limb motor recovery after subacute stroke (>3 months) compared to neuromodulation combined with conventional motor imagery tasks. This study will include 42 subjects in a randomized controlled trial design. The main expected outcomes are changes in the Motricity Index of the Arm (MI), dynamometry of the upper limb, score according to Fugl-Meyer for upper limb (FMA-UE), and changes in the Stroke Impact Scale (SIS). The evaluation will be carried out before the intervention, after each intervention and 15 days after the last session. Conclusions: This trial will show the additive value of VR immersive motor imagery as an adjuvant therapy combined with a known effective neuromodulation approach opening new perspectives for clinical rehabilitation protocols.
Mixed-Matrix Membrane Fabrication for Water Treatment
Authors: Siddique Tawsif , Dutta Naba K. , Choudhury Namita Roy
Published: July 2021

In recent years, technology for the fabrication of mixed-matrix membranes has received significant research interest due to the widespread use of mixed-matrix membranes (MMMs) for various separation processes, as well as biomedical applications. MMMs possess a wide range of properties, including selectivity, good permeability of desired liquid or gas, antifouling behavior, and desired mechanical strength, which makes them preferable for research nowadays. However, these properties of MMMs are due to their tailored and designed structure, which is possible due to a fabrication process with controlled fabrication parameters and a choice of appropriate materials, such as a polymer matrix with dispersed nanoparticulates based on a typical application. Therefore, several conventional fabrication methods such as a phase-inversion process, interfacial polymerization, co-casting, coating, electrospinning, etc., have been implemented for MMM preparation, and there is a drive for continuous modification of advanced, easy, and economic MMM fabrication technology for industrial-, small-, and bulk-scale production. This review focuses on different MMM fabrication processes and the importance of various parameter controls and membrane efficiency, as well as tackling membrane fouling with the use of nanomaterials in MMMs. Finally, future challenges and outlooks are highlighted.
Analytical Evaluation of the Ideal Strategy for High-Throughput Flow Injection Analysis by Tandem Mass Spectrometry in Routine Newborn Screening
Authors: Cicalini Ilaria , Valentinuzzi Silvia , Pieragostino Damiana , Consalvo Ada , Zucchelli Mirco , Donzelli Simone , Ambrogi Davide , Brown Heather A. , Calton Lisa J. , Stuppia Liborio , De Laurenzi Vincenzo , Del Boccio Piero , Rossi Claudia
Published: July 2021

The introduction of tandem mass spectrometry (MS/MS) to clinical laboratories and the advent of expanded newborn screening (NBS) were crucial changes to public health programs worldwide. Speed, robustness, accuracy, selectivity, and specificity of analysis are all requirements of expanded NBS and are needed to minimize false positive results risks, to possibly eliminate false negatives, and to improve the positive predictive value of NBS. In this study, we firstly evaluated the analytical performances of the RenataDX Screening System, a fully integrated flow-injection MS/MS (FIA-MS/MS) IVD system for high-throughput dried blood spot (DBS) analysis in a routine NBS laboratory. Since a choice of several commercial NBS kits is available, we sought to compare NeoBaseTM 2 (PerkinElmer®) and MassChrom® (Chromsystems) non-derivatized kits on the RenataDX platform by evaluating their analytical performances. Moreover, we verified the degree of correlation between data obtained by the two different NBS MS/MS kits by FIA-MS/MS of over 500 samples. Our data suggest that both methods correlate well with clinically insignificant differences that do not impact the NBS result. Finally, while NeoBase™ 2 offers an easier and faster sample preparation, MassChrom® provides a cleaner sample extract which empirically should improve instrument reliability.
Design and Performance Evaluation of a Single-Phase Driven Ultrasonic Motor Using Bending-Bending Vibrations
Authors: Xu Dongmei , Yang Wenzhong , Zhang Xuhui , Yu Simiao
Published: July 2021

An ultrasonic motor as a kind of smart material drive actuator has potential in robots, aerocraft, medical operations, etc. The size of the ultrasonic motor and complex circuit limits the further application of ultrasonic motors. In this paper, a single-phase driven ultrasonic motor using Bending-Bending vibrations is proposed, which has advantages in structure miniaturization and circuit simplification. Hybrid bending vibration modes were used, which were excited by only single-phase voltage. The working principle based on an oblique line trajectory is illustrated. The working bending vibration modes and resonance frequencies of the bending vibration modes were calculated by the finite element method to verify the feasibility of the proposed ultrasonic motor. Additionally, the output performance was evaluated by experiment. This paper provides a single-phase driven ultrasonic motor using Bending-Bending vibrations, which has advantages in structure miniaturization and circuit simplification.
Enabling Micro Injection Moulding Using a Soft Tooling Process Chain with Inserts Made of Mortar Material
Authors: Krüger Kilian , Kain Martin , Zhang Yang , Pedersen David Bue , Calaon Matteo , Tosello Guido , Hansen Hans Nørgaard
Published: July 2021

The manufacturing of inserts for micro injection moulding made of mortar material is presented in this work. The fabrication of the mortar insert described in this publication relied on a versatile and relatively fast rapid prototyping process based on soft tooling. The mortar insert has a QR code with micro features on its surface, which was replicated in acrylonitrile butadiene styrene (ABS) polymer by the micro injection moulding process. With this approach, it is possible to fabricate hard inserts for micro injection moulding purposes that are able to compete with conventional-made inserts made of tool steel.
Effects of Efficient Expression of Vitreoscilla Hemoglobin on Production, Monosaccharide Composition, and Antioxidant Activity of Exopolysaccharides in Ganoderma lucidum
Authors: Wang Zi-Xu , Li Na , Xu Jun-Wei
Published: July 2021

A Vitreoscilla hemoglobin (VHb) gene was efficiently expressed by the optimization of codons and intron addition in G. lucidum. Expression of the VHb gene was confirmed by genome PCR, quantitative real-time PCR and carbon monoxide (CO)-difference spectrum analysis in the transformant. The effects of the efficient expression of VHb gene on production, monosaccharide compostion, and antioxidant activity of G. lucidum exopolysaccharides were studied. The maximum production of exopolysaccharides in the VHb gene-bearing transformant was 1.63 g/L, which was 1.5-fold higher than expression in the wild-type strain. Efficient expression of the VHb gene did not change the monosaccharide composition or distribution of molecular weight, but it increased the mole percentage ratio of galactose and mannose in G. lucidum exopolysaccharide. Exopolysaccharides from the transformant had higher scavenging 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydroxyl (OH) radical capacity and reducing power than those from the wild-type strain. These results may be helpful for increasing production and application of exopolysaccharides produced by G. lucidum fermentation.
Genome-Wide Analysis of Nutrient Signaling Pathways Conserved in Arbuscular Mycorrhizal Fungi
Authors: Zhou Xiaoqin , Li Jiangyong , Tang Nianwu , Xie Hongyun , Fan Xiaoning , Chen Hui , Tang Ming , Xie Xianan
Published: July 2021

Arbuscular mycorrhizal (AM) fungi form a mutualistic symbiosis with a majority of terrestrial vascular plants. To achieve an efficient nutrient trade with their hosts, AM fungi sense external and internal nutrients, and integrate different hierarchic regulations to optimize nutrient acquisition and homeostasis during mycorrhization. However, the underlying molecular networks in AM fungi orchestrating the nutrient sensing and signaling remain elusive. Based on homology search, we here found that at least 72 gene components involved in four nutrient sensing and signaling pathways, including cAMP-dependent protein kinase A (cAMP-PKA), sucrose non-fermenting 1 (SNF1) protein kinase, target of rapamycin kinase (TOR) and phosphate (PHO) signaling cascades, are well conserved in AM fungi. Based on the knowledge known in model yeast and filamentous fungi, we outlined the possible gene networks functioning in AM fungi. These pathways may regulate the expression of downstream genes involved in nutrient transport, lipid metabolism, trehalase activity, stress resistance and autophagy. The RNA-seq analysis and qRT-PCR results of some core genes further indicate that these pathways may play important roles in spore germination, appressorium formation, arbuscule longevity and sporulation of AM fungi. We hope to inspire further studies on the roles of these candidate genes involved in these nutrient sensing and signaling pathways in AM fungi and AM symbiosis.
The Nexus between Fire and Soil Bacterial Diversity in the African Miombo Woodlands of Niassa Special Reserve, Mozambique
Authors: Maquia Ivete Sandra Alberto , Fareleira Paula , Videira e. Castro Isabel , Soares Ricardo , Brito Denise R. A. , Mbanze Aires Afonso , Chaúque Aniceto , Máguas Cristina , Ezeokoli Obinna T. , Ribeiro Natasha Sofia , Marques Isabel , Ribeiro-Barros Ana I.
Published: July 2021

(1) Background: the Miombo woodlands comprise the most important vegetation from southern Africa and are dominated by tree legumes with an ecology highly driven by fires. Here, we report on the characterization of bacterial communities from the rhizosphere of Brachystegia boehmii in different soil types from areas subjected to different regimes. (2) Methods: bacterial communities were identified through Illumina MiSeq sequencing (16S rRNA). Vigna unguiculata was used as a trap to capture nitrogen-fixing bacteria and culture-dependent methods in selective media were used to isolate plant growth promoting bacteria (PGPB). PGP traits were analysed and molecular taxonomy of the purified isolates was performed. (3) Results: Bacterial communities in the Miombo rhizosphere are highly diverse and driven by soil type and fire regime. Independent of the soil or fire regime, the functional diversity was high, and the different consortia maintained the general functions. A diverse pool of diazotrophs was isolated, and included symbiotic (e.g., Mesorhizobium sp., Neorhizobium galegae, Rhizobium sp., and Ensifer adhaerens), and non-symbiotic (e.g., Agrobacterium sp., Burkholderia sp., Cohnella sp., Microvirga sp., Pseudomonas sp., and Stenotrophomonas sp.) bacteria. Several isolates presented cumulative PGP traits. (4) Conclusions: Although the dynamics of bacterial communities from the Miombo rhizosphere is driven by fire, the maintenance of high levels of diversity and functions remain unchanged, constituting a source of promising bacteria in terms of plant-beneficial activities such as mobilization and acquisition of nutrients, mitigation of abiotic stress, and modulation of plant hormone levels.
Microplastics—A New Journal on the Environmental Challenges and Adverse Health Effects of Microplastics
Authors: Kalogerakis Nicolas
Published: July 2021

Microplastics is a new, open-access, peer-reviewed journal by MDPI that will provide an advanced forum for scientists to discuss the challenges faced by the ubiquitous presence of microplastics in the environment, as well as their impact on human health and ecosystem services [...]
Specifics of MWD Data Collection and Verification during Formation of Training Datasets
Authors: Isheyskiy Valentin , Martinyskin Evgeny , Smirnov Sergey , Vasilyev Anton , Knyazev Kirill , Fatyanov Timur
Published: July 2021

This paper presents a structured analysis in the area of measurement while drilling (MWD) data processing and verification methods, as well as describes the main nuances and certain specifics of “clean” data selection in order to build a “parent” training database for subsequent use in machine learning algorithms. The main purpose of the authors is to create a trainable machine learning algorithm, which, based on the available “clean” input data associated with specific conditions, could correlate, process and select parameters obtained from the drilling rig and use them for further estimation of various rock characteristics, prediction of optimal drilling and blasting parameters, and blasting results. The paper is a continuation of a series of publications devoted to the prospects of using MWD technology for the quality management of drilling and blasting operations at mining enterprises.
Stabilization Effects of Natural Compounds and Polyhedral Oligomeric Silsesquioxane Nanoparticles on the Accelerated Degradation of Ethylene-Propylene-Diene Monomer
Authors: Zaharescu Traian , Blanco Ignazio
Published: July 2021

In this work the analysis on the stabilization activities of some natural antioxidants (rosemary extract, capsaicin, quercetin or oleanolic acid) is presented. A similar contribution of an inorganic structure—polyhedral oligomeric silsesquioxane (POSS) nanoparticles—is also evaluated. The stabilization effects on the oxidation protection were investigated for several formulations based on ethylene-propylene-diene-terpolymer (EPDM). The samples were examined in pristine state or after γ-irradiation, when the accelerated degradation scission of polymer macromolecules followed by the mitigation of oxidation. Three evaluation procedures: chemiluminescence, FTIR spectroscopy and thermal analysis were applied for the characterization of stability efficiency. The delaying effect of oxidative aging in EPDM matrix is illustrated by the values of activation energy, which are correlated with the type and concentration of embedded compounds. The durability of studied EPDM formulations is discussed for the assessment of material life. The improved behavior of structured hybrids useful for the optimization application regimes is essentially based on the antioxidant properties of polyphenolic components in the cases of natural antioxidants or on the penetration of free radical intermediates into the free volumes of POSS.
Design, Synthesis, and Bioactivity Evaluation of New Thiochromanone Derivatives Containing a Carboxamide Moiety
Authors: Xiao Lingling , Yu Lu , Li Pei , Chi Jiyan , Tang Zhangfei , Li Jie , Tan Shuming , Wang Xiaodan
Published: July 2021

In this study, using the botanical active component thiochromanone as the lead compound, a total of 32 new thiochromanone derivatives containing a carboxamide moiety were designed and synthesized and their in vitro antibacterial activities against Xanthomonas oryzae pv. oryzae (Xoo), Xanthomonas oryzae pv. oryzicolaby (Xoc), and Xanthomonas axonopodis pv. citri (Xac) were determined, as well as their in vitro antifungal activities against Botryosphaeria dothidea (B. dothidea), Phomopsis sp., and Botrytis cinerea (B. cinerea). Bioassay results demonstrated that some of the target compounds exhibited moderate to good in vitro antibacterial and antifungal activities. In particular, compound 4e revealed excellent in vitro antibacterial activity against Xoo, Xoc, and Xac, and its EC50 values of 15, 19, and 23 μg/mL, respectively, were superior to those of Bismerthiazol and Thiodiazole copper. Meanwhile, compound 3b revealed moderate in vitro antifungal activity against B. dothidea at 50 μg/mL, and the inhibition rate reached 88%, which was even better than that of Pyrimethanil, however, lower than that of Carbendazim. To the best of our knowledge, this is the first report on the antibacterial and antifungal activities of this series of novel thiochromanone derivatives containing a carboxamide moiety.
Behavioral and Antennal Responses of Tribolium confusum to Varronia globosa Essential Oil and Its Main Constituents: Perspective for Their Use as Repellent
Authors: Badji Cesar Auguste , Dorland Jean , Kheloul Lynda , Bréard Dimitri , Richomme Pascal , Kellouche Abdellah , Azevedo de Souza Claudio Roberto , Bezerra Antônio Lourenço , Anton Sylvia
Published: July 2021

Essential oils of aromatic plants represent an alternative to classical pest control with synthetic chemicals. They are especially promising for the alternative control of stored product pest insects. Here, we tested behavioral and electrophysiological responses of the stored product pest Tribolium confusum, to the essential oil of a Brazilian indigenous plant, Varronia globosa, collected in the Caatinga ecosystem. We analyzed the essential oil by GC-MS, tested the effects of the entire oil and its major components on the behavior of individual beetles in a four-way olfactometer, and investigated responses to these stimuli in electroantennogram recordings (EAG). We could identify 25 constituents in the essential oil of V. globosa, with anethole, caryophyllene and spathulenole as main components. The oil and its main component anethole had repellent effects already at low doses, whereas caryophyllene had only a repellent effect at a high dose. In addition, the essential oil abolished the attractive effect of the T. confusum aggregation pheromone. EAG recordings revealed dose-dependent responses to the individual components and increasing responses to the blend and even more to the entire oil. Our study reveals the potential of anethole and the essential oil of V. globosa in the management of stored product pests.
Structural and Biological Properties of Water Soluble Polysaccharides from Lotus Leaves: Effects of Drying Techniques
Authors: Li Wei , Wu Ding-Tao , Li Fen , Gan Ren-You , Hu Yi-Chen , Zou Liang
Published: July 2021

In the present study, the influence of five drying techniques on the structural and biological properties of polysaccharides from lotus leaves (LLPs) was investigated. Results revealed that the yields, contents of basic chemical components, molecular weights, and molar ratios of compositional monosaccharides of LLPs varied by different drying technologies. Low molecular weight distributions were observed in polysaccharides obtained from lotus leaves by hot air drying (LLP-H), microwave drying (LLP-M), and radio frequency drying (LLP-RF), respectively. The high contents of bound polyphenolics were measured in LLP-H and LLP-M, as well as polysaccharides obtained from lotus leaves by vacuum drying (LLP-V). Furthermore, both Fourier transform infrared (FT-IR) and nuclear magnetic resonance (NMR) spectra of LLPs were similar, indicating that drying technologies did not change their basic chemical structures. Besides, all LLPs exhibited obvious biological properties, including in vitro antioxidant capacities, antiglycation activities, and inhibitory effects on α-glucosidase. Indeed, LLP-H exhibited higher 2,2-azidobisphenol (3-ethylbenzothiazoline-6-sulfonic acid) radical scavenging ability (IC50 values, LLP-H, 0.176 ± 0.004 mg/mL; vitamin C, 0.043 ± 0.002 mg/mL) and 2,2-diphenyl-1-(2,4,6-trinitrate phenyl) hydrazine radical scavenging ability (IC50 values, LLP-H, 0.241 ± 0.007 mg/mL; butylated hydroxytoluene, 0.366 ± 0.010 mg/mL) than others, and LLP-M exerted stronger antiglycation (IC50 values, LLP-M, 1.023 ± 0.053 mg/mL; aminoguanidine, 1.744 ± 0.080 mg/mL) and inhibitory effects on α-glucosidase (IC50 values, LLP-M, 1.90 ± 0.02 μg/mL; acarbose, 724.98 ± 16.93 μg/mL) than others. These findings indicate that both hot air drying and microwave drying can be potential drying techniques for the pre-processing of lotus leaves for industrial applications.
Determination of Lead Employing Simple Flow Injection AAS with Monolithic Alginate-Polyurethane Composite Packed In-Valve Column
Authors: Issarangkura Na Ayutthaya Piyanat , Yeerum Chonnipa , Kesonkan Kullapon , Kiwfo Kanokwan , Grudpan Kate , Teshima Norio , Murakami Hiroya , Vongboot Monnapat
Published: July 2021

A simple flow injection FlameAAS for lead determination with an alginate-polyurethane composite (ALG-PUC) monolithic in-valve column has been developed. The ALG-PUC monolithic rod was prepared by mixing methylene diphenyl diisocyanate with polyol and sodium alginate with the ratio of 2:1:1 by weight for a 5 min polymerization reaction. It was then put into a column (0.8 cm i.d × 11 cm length) situated in a switching valve for the FI set up. A single standard calibration could be obtained by plotting the loaded µg Pb2+ vs. FI response (absorbances). The loaded µg Pb2+ is calculated: μg Pb2+ = FRload × LT × CPb2+, where the FR load is the flow rate of the loading analyte solution (mL min−1), LT is the loading time (min), and CPb2+ is the Pb2+ concentration (µg mL−1). A linear calibration equation was obtained: FI response (absorbances) = 0.0018 [µg Pb2+] + 0.0032, R2 = 0.9927 for 1–150 µg Pb2+, and RSD of less than 20% was also obtained. Application of the developed procedure has been demonstrated in real samples.
Establishing Relationship between Vitamins, Total Phenolic and Total Flavonoid Content and Antioxidant Activities in Various Honey Types
Authors: Zawawi Norhasnida , Chong Pei Juin , Mohd Tom Nurul Nadhirah , Saiful Anuar Nurkhairina Solehah , Mohammad Salma Malihah , Ismail Norra , Jusoh Arif Zaidi
Published: July 2021

Honey is a well-known natural sweetener and is rich in natural antioxidants that prevent the occurrence of oxidative stress, which is responsible for many human diseases. Some of the biochemical compounds in honey that contribute to this property are vitamins and phenolic compounds such as phenolic acids and flavonoids. However, the extent to which these molecules contribute towards the antioxidant capacity in vitro is inconsistently reported, especially with the different analytical methods used, as well as other extrinsic factors that influence these molecules’ availability. Therefore, by reviewing recently published works correlating the vitamin, total phenolic, and flavonoid content in honey with its antioxidant activities in vitro, this paper will establish a relationship between these parameters. Based on the literature, vitamins do not contribute to honey’s antioxidant capacity; however, the content of phenolic acids and flavonoids has an impact on honey’s antioxidant activity.
Polyphenols and Antioxidant Activity of Citrus Fiber/Blackberry Juice Complexes
Authors: Buljeta Ivana , Pichler Anita , Šimunović Josip , Kopjar Mirela
Published: July 2021

The objective of this study was to investigate the use of citrus fiber as a carrier of blackberry juice polyphenols. For that purpose, freeze-dried complexes with blackberry juice and different amounts of citrus fiber (1%, 2% and 4%) were prepared. Complexes were evaluated spectrophotometrically for total polyphenols, proanthocyanidins and antioxidant activity. Analyses of individual polyphenols were performed using high-performance liquid chromatography. IR spectra were recorded to confirm encapsulation. All analyses were performed after preparation and after eight months of storage, in order to examine the stability of formed complexes. The obtained results indicated that increasing the amount of fiber led to a decrease in the concentration of polyphenols and the antioxidant activity of complexes. Cyanidin 3-glucoside was the prevalent anthocyanin in complexes (138.32–246.45 mg/100 g), while cyanidin 3-dioxalylglucoside was present at lower concentrations (22.19–31.45 mg/100 g). The other identified and quantified polyphenols were hesperidin (from citrus fiber), ellagic acid and quercetin (1317.59–1571.65 mg/100 g, 31.94–50.11 mg/100 g and 20.11–33.77 mg/100 g, respectively). Degradation of polyphenols occurred during storage. Results obtained in this study confirmed that citrus fiber could be used for the formulation of novel bioactive additives. Such additives could enhance the antioxidant potential of products to which they are added, such as baked goods, dairy, or fruit products.
Investigation of Solvatomorphism and Its Photophysical Implications for Archetypal Trinuclear Au3(1-Methylimidazolate)3
Authors: Guan Shengyang , Mayer David C. , Jandl Christian , Weishäupl Sebastian J. , Casini Angela , Pöthig Alexander
Published: July 2021

A new solvatomorph of [Au3(1-Methylimidazolate)3] (Au3(MeIm)3)—the simplest congener of imidazolate-based Au(I) cyclic trinuclear complexes (CTCs)—has been identified and structurally characterized. Single-crystal X-ray diffraction revealed a dichloromethane solvate exhibiting remarkably short intermolecular Au⋯Au distances (3.2190(7) Å). This goes along with a dimer formation in the solid state, which is not observed in a previously reported solvent-free crystal structure. Hirshfeld analysis, in combination with density functional theory (DFT) calculations, indicates that the dimerization is generally driven by attractive aurophilic interactions, which are commonly associated with the luminescence properties of CTCs. Since Au3(MeIm)3 has previously been reported to be emissive in the solid-state, we conducted a thorough photophysical study combined with phase analysis by means of powder X-ray diffraction (PXRD), to correctly attribute the photophysically active phase of the bulk material. Interestingly, all investigated powder samples accessed via different preparation methods can be assigned to the pristine solvent-free crystal structure, showing no aurophilic interactions. Finally, the observed strong thermochromism of the solid-state material was investigated by means of variable-temperature PXRD, ruling out a significant phase transition being responsible for the drastic change of the emission properties (hypsochromic shift from 710 nm to 510 nm) when lowering the temperature down to 77 K.
Generation of High Peak Power Mode-Locked Green Pulses Based on WS2 and EOM: Experiment and Theory
Authors: Tang Wenjing , Sun Wanggen , Wang Jing , Jiang Kai , Xia Wei , Zhao Shengzhi
Published: July 2021

Based on an as-prepared high-quality WS2 film and an electro-optic modulator (EOM), a dual-loss-modulated low repetition rate mode-locking laser at 0.53 μm with high peak power is presented for the first time. The laser characteristics versus the pump power are investigated experimentally and theoretically. At a pump power of 10.67 W, the shortest pulse duration of 305 ps can be measured, corresponding to the highest peak power of 931 kW, which is much higher than those of the single passive modulated lasers with WS2-SA. A simple rate equation simulation was used to describe this dual-loss-modulated mode-locking green laser based on WS2 and EOM. The results of the numerical simulation are basically in accordance with the experimental values.
Reduction of Breakdown Pressure by Filter Cake Removal Using Thermochemical Fluids and Solvents: Experimental and Numerical Studies
Authors: Tariq Zeeshan , Aljawad Murtada Saleh , Mahmoud Mohamed , Alade Olalekan , Kamal Muhammad Shahzad , Al-Nakhli Ayman
Published: July 2021

The process of well cleanup involves the removal of an impermeable layer of filter cake from the face of the formation. The inefficient removal of the filter cake imposes difficulty on fracturing operations. Filter cake’s impermeable features increase the required pressure to fracture the formation. In this study, a novel method is introduced to reduce the required breakdown pressure to fracture the formation containing the water-based drilling fluid filter cake. The breakdown pressure was tested for five samples of similar properties using different solutions. A simulated borehole was drilled in the core samples. An impermeable filter cake using barite-weighted drilling fluid was built on the face of the drilled hole of each sample. The breakdown pressure for the virgin sample without damage (filter cake) was 6.9 MPa. The breakdown pressure increased to 26.7 MPa after the formation of an impermeable filter cake. Partial removal of filter cake by chelating agent reduced the breakdown pressure to 17.9 MPa. Complete dissolution of the filter cake with chelating agents resulted in the breakdown pressure approximately equivalent to the virgin rock breakdown pressure, i.e., 6.8 MPa. The combined thermochemical and chelating agent solution removed the filter cake and reduced the breakdown pressure to 3.8 MPa. Post-treatment analysis was carried out using nuclear magnetic resonance (NMR) and scratch test. NMR showed the pore size redistributions with good communication between different pores after the thermochemical removal of filter cake. At the same time, there was no communication between the different pores due to permeability impairment after filter cake formation. The diffusion coupling through NMR scans confirmed the higher interconnectivity between different pores systems after the combined thermochemical and chelating agent treatment. Compressive strength was measured from the scratch test, confirming that filter cake formation caused added strength to the rock that impacts the rock breakdown pressure. The average compressive strength of the original specimen was 44.5 MPa that increased to 73.5 MPa after the formation of filter cake. When the filter cake was partially removed, the strength was reduced to 61.7 MPa. Complete removal with chelating agents removed the extra strength that was added due to the filter cake presence. Thermochemical and chelating agents resulted in a significantly lower compressive strength of 25.3 MPa. A numerical model was created to observe the reduction in breakdown pressure due to the thermochemical treatment of the filter cake. The result presented in this study showed the engineering applications of thermochemical treatment for filter cake removal.
Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach
Authors: Usacheva Tatyana R. , Volynkin Vitaly A. , Panyushkin Viktor T. , Lindt Dmitry A. , Pham Thi Lan , Nguyen Thi Thu Ha , Le Thi My Hanh , Alister Diana A. , Kabirov Dzhovidon N. , Kuranova Natalya N. , Gamov George A. , Kushnir Roman A. , Biondi Marco , Giancola Concetta , Sharnin Valentin A.
Published: July 2021

The aim of this research is to obtain new data about the complexation between β-cyclodextrin (β-CD) and benzoic acid (BA) as a model reaction of the complex formation of hydrophobic molecules with cyclodextrins (CDs) in various media. This research may help developing cyclodextrin-based pharmaceutical formulations through the choice of the appropriate solvent mixture that may be employed in the industrial application aiming to control the reactions/processes in liquid phase. In this paper, NMR results for the molecular complex formation between BA and β-CD ([BA⊂β-CD]) in D2O-DMSO-d6 and in D2O-EtOH have shown that the stability of the complex in the H2O-DMSO-d6 varies within the experimental error, while decreases in H2O-EtOH. Changes in the Gibbs energy of BA resolvation in water and water–dimethylsulfoxide mixtures have been obtained and have been used in the analysis of the reagent solvation contributions into the Gibbs energy changes of the [BA⊂β-CD] molecular complex formation. Quantum chemical calculations of the interaction energy between β-CD and BA as well as the structure of the [BA⊂β-CD] complex and the energy of β-CD and BA interaction in vacuum and in the medium of water, methanol and dimethylsulfoxide solvents are carried out. The stability of [BA⊂β-CD] complex in H2O-EtOH and H2O-DMSO solvents, obtained by different methods, are compared. The thermodynamic parameters of the [BA⊂β-CD] molecular complexation as well as the reagent solvation contributions in H2O-EtOH and H2O-DMSO mixtures were analyzed by the solvation-thermodynamic approach.
Potential Assessment of UGT2B17 Inhibition by Salicylic Acid in Human Supersomes In Vitro
Authors: Salhab Hassan , Naughton Declan P. , Barker James
Published: July 2021

Glucuronidation is a Phase 2 metabolic pathway responsible for the metabolism and excretion of testosterone to a conjugate testosterone glucuronide. Bioavailability and the rate of anabolic steroid testosterone metabolism can be affected upon UGT glucuronidation enzyme alteration. However, there is a lack of information about the in vitro potential assessment of UGT2B17 inhibition by salicylic acid. The purpose of this study is to investigate if UGT2B17 enzyme activity is inhibited by salicylic acid. A UGT2B17 assay was developed and validated by HPLC using a C18 reversed phase column (SUPELCO 25 cm × 4.6 mm, 5 μm) at 246 nm using a gradient elution mobile phase system: (A) phosphate buffer (0.01 M) at pH = 3.8, (B) HPLC grade acetonitrile and (C) HPLC grade methanol. The UGT2B17 metabolite (testosterone glucuronide) was quantified using human UGT2B17 supersomes by a validated HPLC method. The type of inhibition was determined by Lineweaver–Burk plots. These were constructed from the in vitro inhibition of salicylic acid at different concentration levels. The UGT2B17 assay showed good linearity (R2 > 0.99), acceptable recovery and accuracy (80–120%), good reproducibility and acceptable inter and intra-assay precision (<15%), low detection (6.42 and 2.76 μM) and quantitation limit values (19.46 and 8.38 μM) for testosterone and testosterone glucuronide respectively, according to ICH guidelines. Testosterone and testosterone glucuronide were found to be stable up to 72 h in normal laboratory conditions. Our investigational study showed that salicylic acid uncompetitively inhibited UGT2B17 enzyme activity. Thus, drugs that are substrates for the UGT2B17 enzyme have negligible potential effect of causing interaction with salicylic acid in humans.
Bioactive Compounds from Lemon (Citrus limon) Extract Overcome TNF-α-Induced Insulin Resistance in Cultured Adipocytes
Authors: Sorrenti Valeria , Consoli Valeria , Grosso Salvo , Raffaele Marco , Amenta Margherita , Ballistreri Gabriele , Fabroni Simona , Rapisarda Paolo , Vanella Luca
Published: July 2021

The consumption of plant-based food is important for health promotion, especially regarding the prevention and management of chronic diseases such as diabetes. We investigated the effects of a lemon extract (LE), containing ≥20.0% total flavanones and ≥1.0% total hydroxycinnamic acids, on insulin signaling in murine 3T3-L1 adipocytes treated with TNF-α, which was used to mimic in vitro the insulin resistance condition that characterizes diabetes mellitus. Our results showed LE increased PPARγ, GLUT4 and DGAT-1 levels, demonstrating the potential of this lemon extract in the management of insulin resistance conditions associated with TNF-α pathway activation. LE treatment further decreased the release of interleukin 6 (IL-6) and restored triglyceride synthesis, which is the main feature of a healthy adipocyte.
Benefits of Innovative and Fully Water-Compatible Stationary Phases of Thin-Film Microextraction (TFME) Blades
Authors: Sobczak Łukasz , Kołodziej Dominika , Goryński Krzysztof
Published: July 2021

Octadecyl (C18) groups are arguably the most popular ligands used for preparation of solid phase microextraction (SPME) devices. However, conventional C18-bonded silica particles are not fully compatible with the nearly 100% aqueous composition of typical biological samples (e.g., plasma, saliva, or urine). This study presents the first evaluation of thin-film SPME devices coated with special water-compatible C18-bonded particles. Device performance was assessed by extracting a mixture of 30 model compounds that exhibited various chemical structures and properties, such as hydrophobicity. Additionally, nine unique compositions of desorption solvents were tested. Thin-film SPME devices coated with C18-bonded silica particles with polar end-capping groups (10 µm) were compared with conventional trimethylsilane end-capped C18-bonded silica particles of various sizes (5, 10, and 45 µm) and characteristics. Polar end-capped particles provided the best extraction efficacy and were characterized by the strongest correlations between the efficacy of the extraction process and the hydrophobicity of the analytes. The results suggest that the original features of octadecyl ligands are best preserved in aqueous conditions by polar end-capped particles, unlike with conventional trimethylsilane end-capped particles that are currently used to prepare SPME devices. The benefits associated with this improved type of coating encourage further implementation of microextractraction as greener alternative to the traditional sample preparation methods.
2-Aryl-6-Polyfluoroalkyl-4-Pyrones as Promising RF-Building-Blocks: Synthesis and Application for Construction of Fluorinated Azaheterocycles
Authors: Usachev Sergey A. , Nigamatova Diana I. , Mysik Daria K. , Naumov Nikita A. , Obydennov Dmitrii L. , Sosnovskikh Vyacheslav Y.
Published: July 2021

A convenient and general method for the direct synthesis of 2-aryl-6-(trifluoromethyl)-4-pyrones and 2-aryl-5-bromo-6-(trifluoromethyl)-4-pyrones has been developed on the basis of one-pot oxidative cyclization of (E)-6-aryl-1,1,1-trifluorohex-5-ene-2,4-diones via a bromination/dehydrobromination approach. This strategy was also applied for the preparation of 2-phenyl-6-polyfluoroalkyl-4-pyrones and their 5-bromo derivatives. Conditions of chemoselective enediones bromination were found and the key intermediates of the cyclization of bromo-derivatives to 4-pyrones were characterized. Synthetic application of the prepared 4-pyrones has been demonstrated for the construction of biologically important CF3-bearing azaheterocycles, such as pyrazoles, pyridones, and triazoles.