bluuebunny/crossref_metadata_2025 huggingface dataset:
Corrosion Resistance of Ultrathin Two-Dimensional Coatings: First-Principles Calculations towards In-Depth Mechanism Understanding and Precise Material Design
Authors: Sun Tian-Yu , Hao Yu , Wu Ying-Hao , Zhao Wen-Jie , Huang Liang-Feng
Published: December 2021

In recent years, ultrathin two-dimensional (2D) coatings, e.g., graphene (Gr) and hexagonal boron nitride (h-BN), are intriguing research foci in the field of anticorrosion because their high air stability, excellent impermeability, high optical transparency, and atomistic thickness have endowed them with attractive anticorrosion applications. The microstructure of 2D coatings, coating–substrate interactions, and properties of 2D coatings on substrates in a variety of environmental conditions (e.g., at different temperatures, stresses, and pH values) are the key factors governing the anticorrosion performance of 2D coatings and are among the central topics for all 2D-coating studies. For many conventional experimental measurements (e.g., microscopy and electrochemical methods), there exist challenges to acquire detailed information on the atomistic mechanisms for the involved subnanometer scale corrosion problems. Alternatively, as a precise and efficient quantum-mechanical simulation approach, the first-principles calculation based on density-functional theory (DFT) has become a powerful way to study the thermodynamic and kinetic properties of materials on the atomic scale, as well as to clearly reveal the underlying microscopic mechanisms. In this review, we introduce the anticorrosion performance, existing problems, and optimization ways of Gr and h-BN coatings and summarize important recent DFT results on the critical and complex roles of coating defects and coating–substrate interfaces in governing their corrosion resistance. These DFT progresses have shed much light on the optimization ways towards better anticorrosion 2D coatings and also guided us to make a prospect on the further development directions and promising design schemes for superior anticorrosion ultrathin 2D coatings in the future.
Laser Welding Modes Optimization of the Selective Laser Melted Ti-6Al-4V Thin-Thickness Parts with Complex Shape
Authors: Larin Maksim , Pevzner Yakov , Shalnova Svetlana , Petrovskiy Pavel
Published: December 2021

The paper studies laser welding of thin-thickness Ti-6Al-4V parts, manufactured by selective laser melting (SLM). A full factorial experiment was carried out in order to construct a regression model of the technological parameters (laser power, welding speed, and defocusing amount) which influence the weld shape. Metallographic analysis was carried out and it was found that thermal cycles of product printing and laser welding are equivalent. The microhardness analysis also showed no differences between the weld metal and the base metal. The contour plots of the parameters influence on the response function was constructed, and the area of welding modes was determined.
Experimental Determination of Phase Equilibria in the Na2O-SiO2-WO3 System
Authors: Zhao Baojun , Su Kun , Ma Xiaodong
Published: December 2021

The present study investigated phase equilibria in the Na2O-SiO2-WO3 system experimentally using high-temperature equilibration, quenching, and electron probe X-ray microanalysis (EPMA). New thermodynamic information on the Na2O-SiO2-WO3 system was derived based on the newly obtained experimental results and data from the literature. The primary phase fields of sodium metasilicate, sodium disilicate, and tridymite were determined along with the isotherms at 1073, 1173, and 1273 K. The solubilities of WO3 in SiO2, Na2Si2O5, and Na2SiO3, and the solubility of SiO2 in Na2WO4 were accurately measured using EPMA. Comparisons between the existing and newly constructed phase diagram were carried out and the differences are discussed. The phase equilibrium data will be beneficial to the future development of sustainable tungsten industries and thermodynamic modelling in WO3 related systems.
Hardening Efficiency and Microstructural Changes during Laser Surface Hardening of 50CrMo4 Steel
Authors: Maharjan Niroj , Wu Naien , Zhou Wei
Published: December 2021

Laser surface hardening is an attractive heat treatment solution used to selectively enhance the surface properties of components by phase transformation. A quantitative parameter to measure the efficacy of hardening processes is still lacking, which hinders its application in industries. In this paper, we propose a simple approach to assess the effectiveness of the process by calculating its thermal efficiency. The proposed method was applied to calculate the hardening efficiency during different laser processing conditions. This study revealed that only a small portion of supplied laser energy (approximately 1–15%) is utilized for hardening. For the same laser system, the highest efficiency is achieved when surface melting is just avoided. A comparative study showed that pulsed lasers are more efficient in energy utilization for hardening than continuous wave laser. Similarly, the efficiency of a high-power laser is found to be higher than a low-power laser and an increase in beam absorption produces higher hardening efficiency. The analysis of the hardened surface revealed predominantly martensite. The hardness value gradually decreased along the depth, which is attributed to the decrease in percentage of martensite.
Enhanced Reversible Magnetic-Field-Induced Strain in Ni-Mn-Ga Alloy
Authors: Wu Pingping , Liang Yongfeng
Published: December 2021

A phase-field model was developed to simulate the ferromagnetic domain structure and martensite variant microstructure of Ni-Mn-Ga shape-memory alloy. The evolution of reversible magnetic-field-induced strain (MFIS) and associated magnetic domain/martensite variant structure were modeled under an external magnetic field. It was found that MFIS increased significantly from 0.2% to 0.28% as the temperature increased from 265 K to 285 K. In addition, compressive pre-stress efficiently enhanced the MFIS of the alloy, while tensile stress reduced MFIS. Furthermore, it was proved that there was possibility of achieving similar enhancement of MFIS by replacing compressive stress with perpendicular biaxial tensile stress. The results revealed that the residual variant induced by stress plays an important role in the reversible MFIS effect.
Methodology for Single Bee and Bee Brain 1H-NMR Metabolomics
Authors: McDevitt Jayne C. , Gupta Riju A. , Dickinson Sydney G. , Martin Phillip L. , Rieuthavorn Jean , Freund Amy , Pizzorno Marie C. , Capaldi Elizabeth A. , Rovnyak David
Published: December 2021

The feasibility of metabolomic 1H NMR spectroscopy is demonstrated for its potential to help unravel the complex factors that are impacting honeybee health and behavior. Targeted and non-targeted 1H NMR metabolic profiles of liquid and tissue samples of organisms could provide information on the pathology of infections and on environmentally induced stresses. This work reports on establishing extraction methods for NMR metabolic characterization of Apis mellifera, the European honeybee, describes the currently assignable aqueous metabolome, and gives examples of diverse samples (brain, head, body, whole bee) and biologically meaningful metabolic variation (drone, forager, day old, deformed wing virus). Both high-field (600 MHz) and low-field (80 MHz) methods are applicable, and 1H NMR can observe a useful subset of the metabolome of single bees using accessible NMR instrumentation (600 MHz, inverse room temperature probe) in order to avoid pooling several bees. Metabolite levels and changes can be measured by NMR in the bee brain, where dysregulation of metabolic processes has been implicated in colony collapse. For a targeted study, the ability to recover 10-hydroxy-2-decenoic acid in mandibular glands is shown, as well as markers of interest in the bee brain such as GABA (4-aminobutyrate), proline, and arginine. The findings here support the growing use of 1H NMR more broadly in bees, native pollinators, and insects.
Perspective on the Structural Basis for Human Aldo-Keto Reductase 1B10 Inhibition
Authors: Ruiz Francesc Xavier , Parés Xavier , Farrés Jaume
Published: December 2021

Human aldo-keto reductase 1B10 (AKR1B10) is overexpressed in many cancer types and is involved in chemoresistance. This makes AKR1B10 to be an interesting drug target and thus many enzyme inhibitors have been investigated. High-resolution crystallographic structures of AKR1B10 with various reversible inhibitors were deeply analyzed and compared to those of analogous complexes with aldose reductase (AR). In both enzymes, the active site included an anion-binding pocket and, in some cases, inhibitor binding caused the opening of a transient specificity pocket. Different structural conformers were revealed upon inhibitor binding, emphasizing the importance of the highly variable loops, which participate in the transient opening of additional binding subpockets. Two key differences between AKR1B10 and AR were observed regarding the role of external loops in inhibitor binding. The first corresponded to the alternative conformation of Trp112 (Trp111 in AR). The second difference dealt with loop A mobility, which defined a larger and more loosely packed subpocket in AKR1B10. From this analysis, the general features that a selective AKR1B10 inhibitor should comply with are the following: an anchoring moiety to the anion-binding pocket, keeping Trp112 in its native conformation (AKR1B10-like), and not opening the specificity pocket in AR.
Enhanced β-carotene and Biomass Production by Induced Mixotrophy in Dunaliella salina across a Combined Strategy of Glycerol, Salinity, and Light
Authors: Capa-Robles Willian , García-Mendoza Ernesto , Paniagua-Michel José de Jesús
Published: December 2021

Current mixotrophic culture systems for Dunaliella salina have technical limitations to achieve high growth and productivity. The purpose of this study was to optimize the mixotrophic conditions imposed by glycerol, light, and salinity that lead to the highest biomass and β-carotene yields in D. salina. The combination of 12.5 mM glycerol, 3.0 M salinity, and 50 μmol photons m−2 s−1 light intensity enabled significant assimilation of glycerol by D. salina and consequently enhanced growth (2.1 × 106 cell mL−1) and β-carotene accumulation (4.43 pg cell−1). The saline and light shock induced the assimilation of glycerol by this microalga. At last stage of growth, the increase in light intensity (300 μmol photons m−2 s−1) caused the β-carotene to reach values higher than 30 pg cell−1 and tripled the β-carotene values obtained from photoautotrophic cultures using the same light intensity. Increasing the salt concentration from 1.5 to 3.0 M NaCl (non-isosmotic salinity) produced higher growth and microalgal β-carotene than the isosmotic salinity 3.0 M NaCl. The mixotrophic strategy developed in this work is evidenced in the metabolic capability of D. salina to use both photosynthesis and organic carbon, viz., glycerol that leads to higher biomass and β-carotene productivity than that of an either phototrophic or heterotrophic process alone. The findings provide insights into the key role of exogenous glycerol with a strategic combination of salinity and light, which evidenced unknown roles of this polyol other than that in osmoregulation, mainly on the growth, pigment accumulation, and carotenogenesis of D. salina.
Fungal Communities in the Native New Zealand Medicinal Plant Pseudowintera colorata (Horopito) Are Determined by Plant Organ Type and Host Maturity with Key Members Promoting Plant Growth
Authors: Purushotham Neeraj , Jones Eirian , Monk Jana , Ridgway Hayley
Published: December 2021

The plant Pseudowintera colorata is well known for its antimicrobial and medicinal properties and is endemic to New Zealand. Using PCR-Denaturing gradient gel electrophoresis (DGGE), we investigated the factors influencing the composition of endophytic fungal communities in P. colorata from ten distinct sites across New Zealand. Our results showed that plant organs of P. colorata influenced the diversity and richness of endophytic fungi (PERMANOVA, p < 0.05). In addition, plant maturity and its interactions revealed that endophytic fungal communities formed discrete clusters in leaves, stems, and roots of mature and immature P. colorata plants (PERMANOVA; p = 0.002, p = 0.001 and p = 0.039, respectively). For identifying isolates with biocontrol potential, dual culture tests were set up against four different phytopathogenic fungi. Isolates with high activity (zone of inhibition > 10 mm) were sequenced and identified as Trichoderma harzianum, Pezicula neosporulosa, Fusariumtricinctum, Metarhizium sp., and Chaetomium sp. Applying selected endophytic fungi (n = 7) as soil drenchers significantly increased the growth of P. colorata seedlings and produced more internodes. Seedling shoots treated with Trichoderma sp. PRY2BA21 were 2.2 × longer (8.36 cm) than the untreated controls (3.72 cm). Our results elucidate the main plant factors influencing fungal community composition and demonstrate a role for endophytic fungi in P. colorata growth and further demonstrate that medicinal plants are a rich source of endophytes with potential as biocontrol agents.
Roméite-Group Minerals Review: New Crystal Chemical and Raman Data of Fluorcalcioroméite and Hydroxycalcioroméite
Authors: Lopes Gerson , Atencio Daniel , Ellena Javier , Andrade Marcelo
Published: December 2021

The roméite-group is part of the pyrochlore-supergroup and comprises cubic oxides of A2B2X6Y formula in which Sb5+ predominates in the B-site. The A and Y main occupants determine different minerals in the group and are important for the discovery of new mineral species. Two different roméite-group mineral samples were analysed by electron microprobe analysis (EMPA), Raman spectroscopy and single-crystal X-ray diffraction (XRD). The first sample is from Prabornaz Mine (locality of the original roméite), Saint Marcel, Valle d’Aosta, Italy, whereas the other one occurs in Kalugeri Hill, Babuna Valley, Jakupica Mountains, Nezilovo, Veles, Macedonia. Sample 1 was identified as fluorcalcioroméite, and sample 2 as hydroxycalcioroméite. Both samples belong to the cubic crystal system, space group Fd3¯m, Z = 8, where a = 10.2881(13) Å, V = 1088.9(4) Å3 for sample 1, and a = 10.2970(13) Å, V = 1091.8(4) Å3 for sample 2. The crystal structure refinements converged to (1) R1 = 0.016, wR2 = 0.042; and (2) R1 = 0.023, wR2 = 0.049. Bond-valence calculations validated the crystal structure refinements determining the correct valences at each crystallographic site. Discrepancies observed in the Sb5+ bond-valence calculations were solved with the use of the proper bond valence parameters. The resulting structural formulas are (Ca1.29Na0.55□0.11Pb0.05)Σ=2.00(Sb1.71Ti0.29)Σ=2.00[O5.73(OH)0.27]Σ=6.00[F0.77O0.21(OH)0.02]Σ=1.00 for sample 1, and (Ca1.30Ce0.51□0.19)Σ=2.00(Sb1.08Ti0.92)Σ=2.00O6.00[(OH)0.61O0.21F0.18]Σ=1.00 for sample 2. The Raman spectra of the samples exhibited the characteristic bands of roméite-group minerals, the most evident corresponding to the Sb-O stretching at around 510 cm−1.
Distribution of As within Magnetic and Non-Magnetic Fractions of Fluidized-Bed Coal Combustion Ash
Authors: Kovár Filip , Bartoňová Lucie
Published: December 2021

Separation of coal ash into magnetic and non-magnetic fractions facilitates their utilization when processed separately. Due to desulphurization additives added to coal during the fluidised-bed combustion, non-magnetic fractions often contain elevated CaO levels (while magnetic concentrates are typically rich in Fe2O3). Both CaO and Fe2O3 are known for their ability to bind As during the combustion, whose distribution is a crucial parameter in terms of proper utilization of these fractions. Therefore, the study deals with the As partitioning within magnetic and non-magnetic fractions of fluidized-bed coal combustion ashes. Two different (successive) procedures of dry magnetic separation were used to separate each ash into strongly magnetic, less magnetic, and a non-magnetic fraction. Due to their optimal utilization, the concentrations of As and other target elements in these fractions were evaluated and compared. Magnetic concentrates from the first separation step (in vibrofluidized state) contained 60–70% Fe2O3, magnetic concentrates separated manually out of the residues after the first separation contained 26–41% Fe2O3, and the non-magnetic residues contained 2.4–3.5% Fe2O3. Arsenic levels were the highest in the non-magnetic residues and gradually decreased with the increasing Fe2O3 content in the magnetic fractions. The dominant As association in the studied samples was to CaO (r = +0.909) and with SO3 (r = +0.906) whereas its joint occurrence with Fe2O3 was improbable (r = −0.834).
Novel Bispidine-Monoterpene Conjugates—Synthesis and Application as Ligands for the Catalytic Ethylation of Chalcones
Authors: Suslov Evgeniy V. , Ponomarev Konstantin Y. , Patrusheva Oxana S. , Kuranov Sergey O. , Okhina Alina A. , Rogachev Artem D. , Munkuev Aldar A. , Ottenbacher Roman V. , Dalinger Alexander I. , Kalinin Mikhail A. , Vatsadze Sergey Z. , Volcho Konstantin P. , Salakhutdinov Nariman F.
Published: December 2021

A number of new chiral bispidines containing monoterpenoid fragments have been obtained. The bispidines were studied as ligands for Ni-catalyzed addition of diethylzinc to chalcones. The conditions for chromatographic analysis by HPLC-UV were developed, in which the peaks of the enantiomers of all synthesized chiral products were separated, which made it possible to determine the enantiomeric excess of the resulting mixture. It was demonstrated that bispidine-monoterpenoid conjugates can be used as the ligands for diethylzinc addition to chalcone C=C double bond but not as inducers of chirality. Besides products of ethylation, formation of products of formal hydrogenation of the chalcone C=C double bond was observed in all cases. Note, that this formation of hydrogenation products in significant amounts in the presence of such catalytic systems was found for the first time. A tentative scheme explaining the formation of all products was proposed.
Synthetic Methods for the Preparation of Conformationally Restricted Analogues of Nicotine
Authors: Panda Biswajit , Albano Gianluigi
Published: December 2021

In the context of naturally occurring nitrogen heterocycles, nicotine is a chiral alkaloid present in tobacco plants, which can target and stimulate nicotinic acetylcholine receptors (nAChRs), a class of ligand-gated ion channels commonly located throughout the human brain. Due to its well-known toxicity for humans, there is considerable interest in the development of synthetic analogues; in particular, conformationally restricted analogues of nicotine have emerged as promising drug molecules for selective nAChR-targeting ligands. In the present mini-review, we will describe the synthesis of the conformationally restricted analogues of nicotine involving one or more catalytic processes. In particular, we will follow a systematic approach as a function of the heteroarene structure, considering: (a) 2,3-annulated tricyclic derivatives; (b) 3,4-annulated tricyclic derivatives; (c) tetracyclic derivatives; and (d) other polycyclic derivatives. For each of them we will also consider, when carried out, biological studies on their activity for specific nAChR subunits.
18:0 Lyso PC Derived by Bioactivity-Based Molecular Networking from Lentil Mutant Lines and Its Effects on High-Fat Diet-Induced Obese Mice
Authors: Han Ah-Reum , Park Hae Ran , Kim Geum Jin , Kim Bo-Ram , Kim Ye-Ram , Park Hyeon Hwa , Park Jisu , Jin Chang Hyun , Kim Jung Min , Kwon Soon-Jae , Kim Jin-Baek , Cao Shugeng , Nam Joo-Won , Choi Hyukjae
Published: December 2021

Lentil (Lens culinaris; Fabaceae), one of the major pulse crops in the world, is an important source of proteins, prebiotics, lipids, and essential minerals as well as functional components such as flavonoids, polyphenols, and phenolic acids. To improve crop nutritional and medicinal traits, hybridization and mutation are widely used in plant breeding research. In this study, mutant lentil populations were generated by γ-irradiation for the development of new cultivars by inducing genetic diversity. Molecular networking via Global Natural Product Social Molecular Networking web platform and dipeptidyl peptide-IV inhibitor screening assay were utilized as tools for structure-based discovery of active components in active mutant lines selected among the lentil population. The bioactivity-based molecular networking analysis resulted in the annotation of the molecular class of phosphatidylcholine (PC) from the most active mutant line. Among PCs, 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine (18:0 Lyso PC) was selected for further in vivo study of anti-obesity effect in a high-fat diet (HFD)-induced obese mouse model. The administration of 18:0 Lyso PC not only prevented body weight gain and decreased relative gonadal adipose tissue weight, but also attenuated the levels of total cholesterol, triglycerides, low-density lipoprotein cholesterol, and leptin in the sera of HFD-induced obese mice. Additionally, 18:0 Lyso PC treatment inhibited the increase of adipocyte area and crown-like structures in adipose tissue. Therefore, these results suggest that 18:0 Lyso PC is a potential compound to have protective effects against obesity, improving obese phenotype induced by HFD.
Predictive Model for Drug-Induced Liver Injury Using Deep Neural Networks Based on Substructure Space
Authors: Kang Myung-Gyun , Kang Nam Sook
Published: December 2021

Drug-induced liver injury (DILI) is a major concern for drug developers, regulators, and clinicians. However, there is no adequate model system to assess drug-associated DILI risk in humans. In the big data era, computational models are expected to play a revolutionary role in this field. This study aimed to develop a deep neural network (DNN)-based model using extended connectivity fingerprints of diameter 4 (ECFP4) to predict DILI risk. Each data set for the predictive model was retrieved and curated from DILIrank, LiverTox, and other literature. The best model was constructed through ten iterations of stratified 10-fold cross-validation, and the applicability domain was defined based on integer ECFP4 bits of the training set which represented substructures. For the robustness test, we employed the concept of the endurance level. The best model showed an accuracy of 0.731, a sensitivity of 0.714, and a specificity of 0.750 on the validation data set in the complete applicability domain. The model was further evaluated with four external data sets and attained an accuracy of 0.867 on 15 drugs with DILI cases reported since 2019. Overall, the results suggested that the ECFP4-based DNN model represents a new tool to identify DILI risk for the evaluation of drug safety.
Removal of Lead by Merlinoite Prepared from Sugarcane Bagasse Ash and Kaolin: Synthesis, Isotherm, Kinetic, and Thermodynamic Studies
Authors: Chuenpratoom Tussaneetorn , Hemavibool Khuanjit , Rermthong Kritsana , Nanan Suwat
Published: December 2021

This study introduces a merlinoite synthesized from sugarcane bagasse ash (SBA) and kaolin and evaluates its application as an adsorbent to remove lead from wastewater. The synthesis was performed via the hydrothermal method, and optimal conditions were determined. The adsorption of Pb by merlinoite was also optimized. Determination of the Pb2+ remaining in the aqueous solution was determined by atomic absorption spectroscopy (AAS). Adsorption isotherms were mainly studied using the Langmuir and Freundlich models. The Langmuir model showed the highest consistency for Pb adsorption on merlinoite, yielding a high correlation coefficient (R2) of 0.9997 and a maximum adsorption capacity (qmax) of 322.58 mg/g. The kinetics of the adsorption process were best described by a pseudo-second-order model. Thermodynamic studies carried out at different temperatures established that the adsorption reaction was spontaneous and endothermic. The results of this study show that merlinoite synthesized from kaolinite and SBA is an excellent candidate for utilization as a high-performance adsorbent for lead removal from wastewater.
Nanostructured Photothermal Materials for Environmental and Catalytic Applications
Authors: Chen Huige , Shi Run , Zhang Tierui
Published: December 2021

Solar energy is a green and sustainable clean energy source. Its rational use can alleviate the energy crisis and environmental pollution. Directly converting solar energy into heat energy is the most efficient method among all solar conversion strategies. Recently, various environmental and energy applications based on nanostructured photothermal materials stimulated the re-examination of the interfacial solar energy conversion process. The design of photothermal nanomaterials is demonstrated to be critical to promote the solar-to-heat energy conversion and the following physical and chemical processes. This review introduces the latest photothermal nanomaterials and their nanostructure modulation strategies for environmental (seawater evaporation) and catalytic (C1 conversion) applications. We present the research progress of photothermal seawater evaporation based on two-dimensional and three-dimensional porous materials. Then, we describe the progress of photothermal catalysis based on layered double hydroxide derived nanostructures, hydroxylated indium oxide nanostructures, and metal plasmonic nanostructures. Finally, we present our insights concerning the future development of this field.
Green Extraction of Antioxidant Flavonoids from Pigeon Pea (Cajanus cajan (L.) Millsp.) Seeds and Its Antioxidant Potentials Using Ultrasound-Assisted Methodology
Authors: Tungmunnithum Duangjai , Drouet Samantha , Lorenzo Jose Manuel , Hano Christophe
Published: December 2021

Pigeon pea is an important pea species in the Fabaceae family that has long been used for food, cosmetic, and other phytopharmaceutical applications. Its seed is reported as a rich source of antioxidants and anti-inflammatory flavonoids, especially isoflavones, i.e., cajanin, cajanol, daidzein, and genistein. In today’s era of green chemistry and green cosmetic development, the development and optimization of extraction techniques is increasing employed by the industrial sectors to provide environmentally friendly products for their customers. Surprisingly, there is no research report on improving the extraction of these isoflavonoids from pigeon pea seeds. In this present study, ultrasound-assisted extraction (USAE) methodology, which is a green extraction that provides a shorter extraction time and consumes less solvent, was optimized and compared with the conventional methods. The multivariate strategy, the Behnken–Box design (BBD) combined with response surface methodology, was employed to determine the best extraction conditions for this USAE utilizing ethanol as green solvent. Not only in vitro but also cellular antioxidant activities were evaluated using different assays and approaches. The results indicated that USAE provided a substantial gain of ca 70% in the (iso)flavonoids extracted and the biological antioxidant activities were preserved, compared to the conventional method. The best extraction conditions were 39.19 min with a frequency of 29.96 kHz and 63.81% (v/v) aqueous ethanol. Both the antioxidant and anti-aging potentials of the extract were obtained under optimal USAE at a cellular level using yeast as a model, resulting in lower levels of malondialdehyde. These results demonstrated that the extract can act as an effective activator of the cell longevity protein (SIR2/SIRT1) and cell membrane protector against oxidative stress. This finding supports the potential of pigeon pea seeds and USAE methodology to gain potential antioxidant and anti-aging (iso)flavonoids-rich sources for the cosmetic and phytopharmaceutical sectors.
Chemical Characterization, Antitumor, and Immune-Enhancing Activities of Polysaccharide from Sargassum pallidum
Authors: Gao Yi , Li Yizhen , Niu Yunze , Ju Hao , Chen Ran , Li Bin , Song Xiyun , Song Lin
Published: December 2021

Searching for natural products with antitumor and immune-enhancing activities is an important aspect of cancer research. Sargassum pallidum is an edible brown alga that has been used in Chinese traditional medicine for the treatment of tumors. However, the purification and application of its active components are still insufficient. In the present study, the polysaccharides from S. pallidum (SPPs) with antitumor and immune-enhancing activities were isolated and purified, and five polysaccharide fractions (SPP-0.3, SPP-0.5, SPP-0.7, SPP-1, and SPP-2) were obtained. The ratio of total saccharides, monosaccharide composition, and sulfated contents was determined, and their structures were analyzed by Fourier transform infrared spectroscopy. Moreover, bioactivity analysis showed that all five fractions had significant antitumor activity against three types of cancer cells (A549, HepG2, and B16), and can induce cancer cell apoptosis. In addition, the results indicated that SPPs can enhance the proliferation of immune cells and improve the expression levels of serum cytokines (IL-6, IL-1β, iNOS, and TNF-α). SPP-0.7 was identified as the most active fraction and selected for further purification, and its physicochemical properties and antitumor mechanism were further analyzed. Transcriptome sequencing result showed that SPP-0.7 can significantly induce the cell apoptosis, cytokine secretion, and cellular stress response process, and inhibit the normal physiological processes of cancer cells. Overall, SPPs and SPP-0.7 may be suitable for use as potential candidate agents for cancer therapy.
An Optimization Procedure for Preparing Aqueous CAR/HP-CD Aggregate Dispersions
Authors: Celitan Enrika , Gruskiene Ruta , Sereikaite Jolanta
Published: December 2021

β-Carotene is a very important molecule for human health. It finds a large application in the food industry, especially for the development of functional foods and dietary supplements. However, β-carotene is an unstable compound and is sensitive to light, temperature, and oxygen. To overcome those limitations, various delivery systems were developed. The inclusion of β-carotene by cyclodextrin aggregates is attractive due to non-toxicity, low hygroscopicity, stability, and the inexpensiveness of cyclodextrins. In this study, β-carotene/2-hydroxypropyl-β-cyclodextrin aggregates were prepared based on the procedure of the addition of β-carotene in an organic solvent to the hot water dispersion of 2-hydroxypropyl-β-cyclodextrin and the following instant evaporation of the organic solvent. The best conditions for the aggregate preparation were found to be as follows: 25% concentration of 2-hydroxypropyl-β-cyclodextrin in water, 65 °C temperature, and acetone for β-carotene dissolution. The efficiency of entrapping was equal to 88%. The procedure is attractive due to the short time of the aggregate preparation.
Effect of the Addition of Dried Dandelion Roots (Taraxacum officinale F. H. Wigg.) on Wheat Dough and Bread Properties
Authors: Cacak-Pietrzak Grażyna , Dziki Dariusz , Gawlik-Dziki Urszula , Sułek Alicja , Kalisz Stanisław , Sujka Katarzyna
Published: December 2021

Dried and crushed dandelion roots (Taraxacum officinale F. H. Wigg.) (TO) were used as a formulation additive (at the amount of 0, 1, 3, 4, 5, and 6 g 100 g−1 flour) to wheat bread. The farinographic properties of the dough and the physical and chemical properties of the bread were evaluated. It was found that the addition of dried flour caused a significant decrease in water absorption by the flour (1% and higher TO level), an increase in the development time (from 2% to 5% TO addition) and dough stability (3% and 4% TO level), and an increase in dough softening (4% and higher TO level). As the substitution of TO for wheat flour increased, there was a gradual decrease in loaf volume, an increase in specific weight and crumb hardness, and a darkening of the crumb color. The total polyphenol content increased linearly with the percentage increase of dried root additions TO from 0.290 to 0.394 mg GAE g−1 d.m., which translated into an increase in the antioxidant activity of the bread. It was found that dried crushed roots of Taraxacum officinale can be a recipe additive for wheat bread; however, due to their specific smell and bitter aftertaste, the level of this additive should not exceed 3 g 100 g−1 flour.
Optical Pulling Using Chiral Metalens as a Photonic Probe
Authors: Peng Miao , Luo Hui , Zhang Zhaojian , Kuang Tengfang , Chen Dingbo , Bai Wei , Chen Zhijie , Yang Junbo , Xiao Guangzong
Published: December 2021

Optical pulling forces, which can pull objects in the source direction, have emerged as an intensively explored field in recent years. Conventionally, optical pulling forces exerted on objects can be achieved by tailoring the properties of an electromagnetic field, the surrounding environment, or the particles themselves. Recently, the idea of applying conventional lenses or prisms as photonic probes has been proposed to realize an optical pulling force. However, their sizes are far beyond the scope of optical manipulation. Here, we design a chiral metalens as the photonic probe to generate a robust optical pulling force. The induced pulling force exerted on the metalens, characterized by a broadband spectrum over 0.6 μm (from 1.517 to 2.117 μm) bandwidth, reached a maximum value of −83.76 pN/W. Moreover, under the illumination of incident light with different circular polarization states, the longitudinal optical force acting on the metalens showed a circular dichroism response. This means that the longitudinal optical force can be flexibly tuned from a pulling force to a pushing force by controlling the polarization of the incident light. This work could pave the way for a new advanced optical manipulation technique, with potential applications ranging from contactless wafer-scale fabrication to cell assembly and even course control for spacecraft.
Semiconductor Nanowire Field-Effect Transistors as Sensitive Detectors in the Far-Infrared
Authors: Asgari Mahdi , Viti Leonardo , Zannier Valentina , Sorba Lucia , Vitiello Miriam Serena
Published: December 2021

Engineering detection dynamics in nanoscale receivers that operate in the far infrared (frequencies in the range 0.1–10 THz) is a challenging task that, however, can open intriguing perspectives for targeted applications in quantum science, biomedicine, space science, tomography, security, process and quality control. Here, we exploited InAs nanowires (NWs) to engineer antenna-coupled THz photodetectors that operated as efficient bolometers or photo thermoelectric receivers at room temperature. We controlled the core detection mechanism by design, through the different architectures of an on-chip resonant antenna, or dynamically, by varying the NW carrier density through electrostatic gating. Noise equivalent powers as low as 670 pWHz−1/2 with 1 µs response time at 2.8 THz were reached.
Recyclable, Antibacterial, Isoporous Through-Hole Membrane Air Filters with Hydrothermally Grown ZnO Nanorods
Authors: Choi Yong Ho , Kim Moon-Ju , Lee Jia , Pyun Jae-Chul , Khang Dahl-Young
Published: December 2021

Reusable, antibacterial, and photocatalytic isoporous through-hole air filtration membranes have been demonstrated based on hydrothermally grown ZnO nanorods (NRs). High-temperature (300~375 °C) stability of thermoset-based isoporous through-hole membranes has enabled concurrent control of porosity and seed formation via high-temperature annealing of the membranes. The following hydrothermal growth has led to densely populated ZnO NRs on both the membrane surface and pore sidewall. Thanks to the nanofibrous shape of the grown ZnO NRs on the pore sidewall, the membrane filters have shown a high (>97%) filtration efficiency for PM2.5 with a rather low-pressure (~80 Pa) drop. The membrane filters could easily be cleaned and reused many times by simple spray cleaning with a water/ethanol mixture solution. Further, the grown ZnO NRs have also endowed excellent bactericidal performance for both Gram-positive S. aureus and Gram-negative S. enteritidis bacteria. Owing to the wide bandgap semiconductor nature of ZnO NRs, organic decomposition by photocatalytic activity under UV illumination has been successfully demonstrated. The reusable, multifunctional membrane filters can find wide applications in air filtration and purification.
Compliance to a Gluten-Free Diet in Swedish Children with Type 1 Diabetes and Celiac Disease
Authors: Söderström Hanna , Rehn Julia , Cervin Matti , Ahlstermark Cathrine , Bybrant Mara Cerqueiro , Carlsson Annelie
Published: December 2021

Children with type 1 diabetes (T1D) are at increased risk of celiac disease (CD). The replacement of insulin in T1D, and the exclusion of gluten in CD, are lifelong, burdensome treatments. Compliance to a gluten-free diet (GFD) in children with CD is reported to be high, while compliance in children with both diseases has scarcely been studied. To examine compliance to a GFD in children with both T1D and CD, we analyzed tissue transglutaminase IgA-antibodies (tTGA). Moreover, associations between compliance and age, sex, glycemic control, ketoacidosis (DKA), body mass index (BMI), and time of CD diagnosis were investigated. Of the 743 children diagnosed with T1D in southern Sweden between 2005 and 2012, 9% were also diagnosed with CD. Of these, 68% showed good compliance to a GFD, 18% showed intermediate compliance, and 14% were classified as non-compliant. Higher age, poorer HbA1c, and more DKAs were significantly (p < 0.05) associated with poorer compliance. In conclusion, we found that compliance to a GFD in children with T1D and CD is likely be lower than in children with CD only. Our results indicate that children with both T1D and CD could need intensified dietary support and that older children and children with poor metabolic control are especially vulnerable subgroups.
Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape
Authors: Acebedo-Martínez Francisco Javier , Alarcón-Payer Carolina , Frontera Antonio , Barbas Rafael , Prohens Rafel , Di Crisci Milena , Domínguez-Martín Alicia , Gómez-Morales Jaime , Choquesillo-Lazarte Duane
Published: December 2021

Any time the pharmaceutical industry develops a new drug, potential polymorphic events must be thoroughly described, because in a crystalline pharmaceutical solid, different arrangements of the same active pharmaceutical ingredient can yield to very different physicochemical properties that might be crucial for its efficacy, such as dissolution, solubility, or stability. Polymorphism in cocrystal formulation cannot be neglected, either. In this work, two different cocrystal polymorphs of the non-steroidal anti-inflammatory drug niflumic acid and caffeine are reported. They have been synthesized by mechanochemical methods and thoroughly characterized in solid-state by powder and single crystal X-ray diffraction respectively, as well as other techniques such as thermal analyses, infrared spectroscopy and computational methods. Both theoretical and experimental results are in agreement, confirming a conformational polymorphism. The polymorph NIF–CAF Form I exhibits improved solubility and dissolution rate compared to NIF–CAF Form II, although Form II is significantly more stable than Form I. The conditions needed to obtain these polymorphs and their transition have been carefully characterized, revealing an intricate system.
Cannabidiol-Loaded Mixed Polymeric Micelles of Chitosan/Poly(Vinyl Alcohol) and Poly(Methyl Methacrylate) for Trans-Corneal Delivery
Authors: Sosnik Alejandro , Shabo Ronya Ben , Halamish Hen Moshe
Published: December 2021

Ocular drug delivery is challenging due to the very short drug residence time and low permeability. In this work, we produce and characterize mucoadhesive mixed polymeric micelles (PMs) made of chitosan (CS) and poly(vinyl alcohol) backbones graft-hydrophobized with short poly(methyl methacrylate) blocks and use them to encapsulate cannabidiol (CBD), an anti-inflammatory cannabinoid. CBD-loaded mixed PMs are physically stabilized by ionotropic crosslinking of the CS domains with sodium tripolyphoshate and spray-drying. These mixed PMs display CBD loading capacity of 20% w/w and sizes of 100–200 nm, and spherical morphology (cryogenic-transmission electron microscopy). The good compatibility of the unloaded and CBD-loaded PMs is assessed in a human corneal epithelial cell line. Then, we confirm the permeability of CBD-free PMs and nanoencapsulated CBD in human corneal epithelial cell monolayers under liquid–liquid and air–liquid conditions. Overall, our results highlight the potential of these polymeric nanocarriers for ocular drug delivery.
NIR Light-Triggered Chemo-Phototherapy by ICG Functionalized MWNTs for Synergistic Tumor-Targeted Delivery
Authors: Tang Lu , Zhang Aining , Mei Yijun , Xiao Qiaqia , Xu Xiangting , Wang Wei
Published: December 2021

The combinational application of photothermal therapy (PTT), chemotherapy, and nanotechnology is a booming therapeutic strategy for cancer treatment. Multi-walled carbon nanotube (MWNT) is often utilized as drug carrier in biomedical fields with excellent photothermal properties, and indocyanine green (ICG) is a near-infrared (NIR) dye approved by FDA. In addition, ICG is also a photothermal agent that can strongly absorb light energy for tumor ablation. Herein, we explored a synergistic strategy by connecting MWNT and a kind of ICG derivate ICG-NH2 through hyaluronic acid (HA) that possesses CD44 receptor targeting ability, which largely enhanced the PTT effect of both MWNT and ICG-NH2. To realize the synergistic therapeutic effect of chemotherapy and phototherapy, doxorubicin (DOX) was attached on the wall of MWNT via π–π interaction to obtain the final MWNT-HA-ICG/DOX nanocomplexes. Both in vitro and in vivo experiments verified the great therapeutic efficacy of MWNT-HA-ICG/DOX nanocomplexes, which was characterized by improved photothermal performance, strengthened cytotoxicity, and elevated tumor growth inhibition based on MCF-7 tumor models. Therefore, this synergistic strategy we report here might offer a new idea with promising application prospect for cancer treatment.
Potential of Impedance Flow Cytometry to Assess the Viability and Quantity of Cannabis sativa L. Pollen
Authors: Rafiq Hamza , Hartung Jens , Burgel Lisa , Röll Georg , Graeff-Hönninger Simone
Published: December 2021

Over the last decade, efforts to breed new Cannabis sativa L. cultivars with high Cannabidiol (CBD) and other non-psychoactive cannabinoids with low tetrahydrocannabinol (THC) levels have increased. In this context, the identification of the viability and quantity of pollen, which represents the fitness of male gametophytes, to accomplish successful pollination is of high importance. The present study aims to evaluate the potential of impedance flow cytometry (IFC) for the assessment of pollen viability (PV) and total number of pollen cells (TPC) in two phytocannabinoid-rich cannabis genotypes, KANADA (KAN) and A4 treated with two different chemical solutions, silver thiosulfate solution (STS) and gibberellic acid (GA3). Pollen was collected over a period of 8 to 24 days after flowering (DAF) in a greenhouse experiment. Impedance flow cytometry (IFC) technology was used with Cannabis sativa to assess the viability and quantity of pollen. The results showed that the number of flowers per plant was highest at 24 DAF for both genotypes, A4 (317.78) and KAN (189.74). TPC induced by STS was significantly higher compared to GA3 over the collection period of 8 to 24 DAF with the highest mean TPC of 1.54 × 105 at 14 DAF. STS showed significantly higher viability of pollen compared to GA3 in genotype KAN, with the highest PV of 78.18% 11 DAF. Genotype A4 also showed significantly higher PV with STS at 8 (45.66%), 14 (77.88%), 18 (79.37%), and 24 (51.92%) DAF compared to GA3. Furthermore, counting the numbers of flowers did not provide insights into the quality and quantity of pollen; the results showed that PV was highest at 18 DAF with A4; however, the number of flowers per plant was 150.33 at 18 DAF and was thus not the maximum of produced flowers within the experiment. IFC technology successfully estimated the TPC and differentiated between viable and non-viable cells over a period of 8 to 24 DAF in tested genotypes of Cannabis sativa. IFC seems to be an efficient and reliable method to estimate PV, opening new chances for plant breeding and plant production processes in cannabis.
Bacterial Endophytes as a Promising Approach to Enhance the Growth and Accumulation of Bioactive Metabolites of Three Species of Chenopodium Sprouts
Authors: Almuhayawi Mohammed S. , Abdel-Mawgoud Mohamed , Al Jaouni Soad K. , Almuhayawi Saad M. , Alruhaili Mohammed H. , Selim Samy , AbdElgawad Hamada
Published: December 2021

Sprouts are regarded as an untapped source of bioactive components that display various biological properties. Endophytic bacterium inoculation can enhance plant chemical composition and improve its nutritional quality. Herein, six endophytes (Endo 1 to Endo 6) were isolated from Chenopodium plants and morphologically and biochemically identified. Then, the most active isolate Endo 2 (strain JSA11) was employed to enhance the growth and nutritive value of the sprouts of three Chenopodium species, i.e., C. ambrosoides, C. ficifolium, and C. botrys. Endo 2 (strain JSA11) induced photosynthesis and the mineral uptake, which can explain the high biomass accumulation. Endo 2 (strain JSA11) improved the nutritive values of the treated sprouts through bioactive metabolite (antioxidants, vitamins, unsaturated fatty acid, and essential amino acids) accumulation. These increases were correlated with increased amino acid levels and phenolic metabolism. Consequently, the antioxidant activity of the Endo 2 (strain JSA11)-treated Chenopodium sprouts was enhanced. Moreover, Endo 2 (strain JSA11) increased the antibacterial activity against several pathogenic bacteria and the anti-inflammatory activities as evidenced by the reduced activity of cyclooxygenase and lipoxygenase. Overall, the Endo 2 (strain JSA11) treatment is a successful technique to enhance the bioactive contents and biological properties of Chenopodium sprouts.