bluuebunny/crossref_metadata_2025 huggingface dataset:
The Urinary Metabolome of Healthy Newborns
Authors: López-Hernández Yamilé , Oropeza-Valdez Juan José , Blanco-Sandate Jorge O. , Herrera-Van Oostdam Ana Sofia , Zheng Jiamin , Chi Guo An , Lima-Rogel Victoria , Rajabzadeh Rahmatollah , Salgado-Bustamante Mariana , Adrian-Lopez Jesus , Castillo C. G. , Robles Arguelles Emilia , Monárrez-Espino Joel , Mandal Rupasri , Wishart David S.
Published: April 2020

The knowledge of normal metabolite values for neonates is key to establishing robust cut-off values to diagnose diseases, to predict the occurrence of new diseases, to monitor a neonate’s metabolism, or to assess their general health status. For full term-newborns, many reference biochemical values are available for blood, serum, plasma and cerebrospinal fluid. However, there is a surprising lack of information about normal urine concentration values for a large number of important metabolites in neonates. In the present work, we used targeted tandem mass spectrometry (MS/MS)-based metabolomic assays to identify and quantify 136 metabolites of biomedical interest in the urine from 48 healthy, full-term term neonates, collected in the first 24 h of life. In addition to this experimental study, we performed a literature review (covering the past eight years and over 500 papers) to update the references values in the Human Metabolome Database/Urine Metabolome Database (HMDB/UMDB). Notably, 86 of the experimentally measured urinary metabolites are being reported in neonates/infants for the first time and another 20 metabolites are being reported in human urine for the first time ever. Sex differences were found for 15 metabolites. The literature review allowed us to identify another 78 urinary metabolites with concentration data. As a result, reference concentration values and ranges for 378 neonatal urinary metabolites are now publicly accessible via the HMDB.
High-Throughput Particle Concentration Using Complex Cross-Section Microchannels
Authors: Mihandoust Asma , Razavi Bazaz Sajad , Maleki-Jirsaraei Nahid , Alizadeh Majid , A. Taylor Robert , Ebrahimi Warkiani Majid
Published: April 2020

High throughput particle/cell concentration is crucial for a wide variety of biomedical, clinical, and environmental applications. In this work, we have proposed a passive spiral microfluidic concentrator with a complex cross-sectional shape, i.e., a combination of rectangle and trapezoid, for high separation efficiency and a confinement ratio less than 0.07. Particle focusing in our microfluidic system was observed in a single, tight focusing line, in which higher particle concentration is possible, as compared with simple rectangular or trapezoidal cross-sections with similar flow area. The sharper focusing stems from the confinement of Dean vortices in the trapezoidal region of the complex cross-section. To quantify this effect, we introduce a new parameter, complex focusing number or CFN, which is indicative of the enhancement of inertial focusing of particles in these channels. Three spiral microchannels with various widths of 400 µm, 500 µm, and 600 µm, with the corresponding CFNs of 4.3, 4.5, and 6, respectively, were used. The device with the total width of 600 µm was shown to have a separation efficiency of ~98%, and by recirculating, the output concentration of the sample was 500 times higher than the initial input. Finally, the investigation of results showed that the magnitude of CFN relies entirely on the microchannel geometry, and it is independent of the overall width of the channel cross-section. We envision that this concept of particle focusing through complex cross-sections will prove useful in paving the way towards more efficient inertial microfluidic devices.
DNA Microsystems for Biodiagnosis
Authors: Torres Vidal Alana , Medintz Igor L. , Bui Hieu
Published: April 2020

Researchers are continuously making progress towards diagnosis and treatment of numerous diseases. However, there are still major issues that are presenting many challenges for current medical diagnosis. On the other hand, DNA nanotechnology has evolved significantly over the last three decades and is highly interdisciplinary. With many potential technologies derived from the field, it is natural to begin exploring and incorporating its knowledge to develop DNA microsystems for biodiagnosis in order to help address current obstacles, such as disease detection and drug resistance. Here, current challenges in disease detection are presented along with standard methods for diagnosis. Then, a brief overview of DNA nanotechnology is introduced along with its main attractive features for constructing biodiagnostic microsystems. Lastly, suggested DNA-based microsystems are discussed through proof-of-concept demonstrations with improvement strategies for standard diagnostic approaches.
Nano-Scale Pore Structure and Its Multi-Fractal Characteristics of Tight Sandstone by N2 Adsorption/Desorption Analyses: A Case Study of Shihezi Formation from the Sulige Gas Filed, Ordos Basin, China
Authors: Wang Zhelin , Jiang Xuewei , Pan Mao , Shi Yongmin
Published: April 2020

Fractal dimension is a critical parameter to evaluate the heterogeneity of complex pore structure in tight sandstone gas and other low permeability reservoirs. To quantify the fractal dimension of tight sandstone at various pore size classes and evaluate their implications on mineral composition and nano pore structure parameters, we conducted an integrated approach of N2 adsorption/desorption experiment (N2-GA), X-ray diffraction (X-RD), and field emission scanning electron microscopy (FE-SEM) on Sulige tight sandstone reservoirs. By comparing the nine types of fractal dimensions calculated from N2 adsorption data, we put forward the concept of “concentrated” fractal dimensions and “scattered” fractal dimensions (DN2, DN3, DN5, DN7 and DN8) for the first time according to its concentration extent of distribute in different samples. Result shows that mineral composition has a significant influence of a different level on specific surface area (SSA), pore volume (PV), and fractal dimensions (DN), respectively, where the “scattered” fractal dimension is more sensitive to certain specific property of the reservoir, including mineral content and the specific surface area contribution rate (Sr) of type II mesopores (Mesopore-II: 10~50nm). In addition, three type of hysteresis loops were distinguished corresponding to different pore shape combination of N2-GA isotherm curve, which reveals that pore structure heterogeneity is mainly controlled by inkbottle-shaped pores and the volume contribution rate (Vr) of mesopores in this study area. These findings could contribute to a better understanding of the controlling effect of pore heterogeneity on natural gas storage and adsorption.
Synthesis and Structure Insights of Two Novel Broad-Spectrum Antibacterial Candidates Based on (E)-N′-[(Heteroaryl)methylene]adamantane-1-carbohydrazides
Authors: Al-Wahaibi Lamya H. , Alvarez Natalia , Blacque Olivier , Veiga Nicolás , Al-Mutairi Aamal A. , El-Emam Ali A.
Published: April 2020

Two new N′-heteroarylidene-1-carbohydrazide derivatives, namely; E-N′-[(pyridine-3-yl)methylidene]adamantane-1-carbohydrazide (1) and E-N′-[(5-nitrothiophen-2-yl)methylidene]adamantane-1-carbohydrazide (2), were produced via condensation of adamantane-1-carbohydrazide with the appropriate heterocyclic aldehyde. Both compounds were chemically and structurally characterized by 1H-NMR, 13C-NMR, infrared and UV-vis spectroscopies, and single crystal X-ray diffraction. The study was complemented with density functional theory calculations (DFT). The results show an asymmetrical charge distribution in both compounds, with the electron density accumulated around the nitrogen and oxygen atoms, leaving the positive charge surrounding the N-H and C-H bonds in the hydrazine group. Consequently, the molecules stack in an antiparallel fashion in the crystalline state, although the contribution of the polar contacts to the stability of the lattice is different for 1 (18%) and 2 (42%). This difference affects the density and symmetry of their crystal structures. Both molecules show intense UV-Vis light absorption in the range 200–350 nm (1) and 200–500 nm (2), brought about by π → π* electronic transitions. The electron density difference maps (EDDM) revealed that during light absorption, the electron density flows within the π-delocalized system, among the pyridyl/thiophene ring, the nitro group, and the N′-methyleneacetohydrazide moiety. Interestingly, compounds 1 and 2 constitute broad-spectrum antibacterial candidates, displaying potent antibacterial activity with minimal inhibitory concentration (MIC) values around 0.5–2.0 μg/mL. They also show weak or moderate antifungal activity against the yeast-like pathogenic fungus Candida albicans.
Palmitoylation of Metazoan Carotenoid Oxygenases
Authors: Uppal Sheetal , Rogozin Igor B. , Redmond T.Michael , Poliakov Eugenia
Published: April 2020

Abundant in nature, carotenoids are a class of fat-soluble pigments with a polyene tetraterpenoid structure. They possess antioxidant properties and their consumption leads to certain health benefits in humans. Carotenoid cleavage oxygenases (CCOs) are a superfamily of enzymes which oxidatively cleave carotenoids and they are present in all kingdoms of life. Complexity of CCO evolution is high. For example, in this study we serendipitously found a new family of eukaryotic CCOs, the apocarotenoid oxygenase-like (ACOL) family. This family has several members in animal genomes and lacks the animal-specific amino acid motif PDPCK. This motif is likely to be associated with palmitoylation of some animal CCOs. We recently demonstrated that two mammalian members of the carotenoid oxygenase family retinal pigment epithelial-specific 65 kDa protein (RPE65) and beta-carotene oxygenase 2 (BCO2) are palmitoylated proteins. Here we used the acyl-resin-assisted capture (acyl-RAC) method to demonstrate protein palmitoylation and immunochemistry to localize mouse BCO2 (mBCO2) in COS7 cell line in the absence and presence of its substrate β-carotene. We demonstrate that mBCO2 palmitoylation depends on the evolutionarily conserved motif PDPCK and that metazoan family members lacking the motif (Lancelet beta-carotene oxygenase-like protein (BCOL) and Acropora ACOL) are not palmitoylated. Additionally, we observed that the palmitoylation status of mBCO2 and its membrane association depend on the presence of its substrate β-carotene. Based on our results we conclude that most metazoan carotenoid oxygenases retain the evolutionarily conserved palmitoylation PDPCK motif to target proteins to internal membranes depending on substrate status. Exceptions are in the secreted BCOL subfamily and the strictly cytosolic ancient ACOL subfamily of carotenoid oxygenases.
Phase Transformations and Photocatalytic Activity of Nanostructured Y2O3/TiO2-Y2TiO5 Ceramic Such as Doped with Carbon Nanotubes
Authors: Kozlovskiy Artem L. , Zhumatayeva Inesh Z. , Mustahieva Dina , Zdorovets Maxim V.
Published: April 2020

This work is devoted to the study of phase transition processes in nanostructured ceramics of the Y2O3/TiO2-Y2TiO5 type doped with carbon nanotubes as a result of thermal annealing, as well as to the assessment of the prospects of the effect of phase composition on photocatalytic activity. By the method of X-ray phase analysis, it was found that an increase in the annealing temperature leads to the formation of the orthorhombic phase Y2TiO5, as well as structural ordering. Based on the obtained UV spectra, the band gap was calculated, which varies from 2.9 eV (initial sample) to 2.1 eV (annealed at a temperature of 1000 °C). During photocatalytic tests, it was established that the synthesized nanostructured ceramics Y2O3/TiO2-Y2TiO5 doped CNTs show a fairly good photocatalytic activity in the range of 60–90% decomposition of methyl orange.
Testing for Ketoprofen Binding to HSA Coated Magnetic Nanoparticles under Normal Conditions and after Oxidative Stress
Authors: Ziegler-Borowska Marta , Mylkie Kinga , Nowak Pawel , Rybczynski Patryk , Sikora Adam , Chelminiak-Dudkiewicz Dorota , Kaczmarek-Kedziera Anna
Published: April 2020

Binding and transport of ligands is one of the most important functions of human blood serum proteins. Human serum albumin is found in plasma at the highest concentration. Because of this, it is important to study protein–drug interactions for this albumin. Since there is no single model describing this interaction, it is necessary to measure it for each active substance. Drug binding should also be studied in conditions that simulate pathological conditions of the body, i.e., after oxidative stress. Due to this, it is expected that the methods for testing these interactions need to be easy and fast. In this study, albumin immobilized on magnetic nanoparticles was successfully applied in the study of protein–drug binding. Ketoprofen was selected as a model drug and interactions were tested under normal conditions and artificially induced oxidative stress. The quality of obtained results for immobilized protein was confirmed with those for free albumin and literature data. It was shown that the type of magnetic core coverage does not affect the quality of the obtained results. In summary, a new, fast, effective, and universal method for testing protein–drug interactions was proposed, which can be performed in most laboratories.
Structure-Dependent Activity of Plant-Derived Sweeteners
Authors: Ҫiçek Serhat Sezai
Published: April 2020

Human sensation for sweet tastes and the thus resulting over-consumption of sugar in recent decades has led to an increasing number of people suffering from caries, diabetes, and obesity. Therefore, a demand for sugar substitutes has arisen, which increasingly has turned towards natural sweeteners over the last 20 years. In the same period, thanks to advances in bioinformatics and structural biology, understanding of the sweet taste receptor and its different binding sites has made significant progress, thus explaining the various chemical structures found for sweet tasting molecules. The present review summarizes the data on natural sweeteners and their most important (semi-synthetic) derivatives until the end of 2019 and discusses their structure–activity relationships, with an emphasis on small-molecule high-intensity sweeteners.
The Synergistic Antitumor Effect of 5-Fluorouracil Combined with Allicin against Lung and Colorectal Carcinoma Cells
Authors: Țigu Adrian Bogdan , Toma Vlad-Alexandru , Moț Augustin Cătălin , Jurj Ancuța , Moldovan Cristian Silviu , Fischer-Fodor Eva , Berindan-Neagoe Ioana , Pârvu Marcel
Published: April 2020

5-fluorouracil (5-FU) is an anticancer drug used to inhibit the proliferation of many different tumor cells. Since severe events are associated with this compound, its combination with different anticancer drugs or adjuvants would allow the use of a significantly lower dose of 5-FU. In this study, we highlighted that the combination of allicin with 5-FU inhibited the cell migration and proliferation of colorectal and lung cancer cells. 5-FU inhibited cell growth with a similar inhibitory concentration for both normal and tumor cells (~200µM), while allicin showed different inhibitory concentrations. With an IC50 of 8.625 µM, lung cancer cells were the most sensitive to allicin. Compared to 5-FU and allicin single-agent treatments, the co-treatment showed a reduced viability rate, with p < 0.05. The morphological changes were visible on all three cell lines, indicating that the treatment inhibited the proliferation of both normal and tumor cells. We highlighted different cell death mechanisms—apoptosis for lung cancer and a non-apoptotic cell death for colorectal cancer. The synergistic antitumor effect of 5-FU combined with allicin was visible against lung and colorectal carcinoma cells. Better results were obtained when a lower concentration of 5-FU was combined with allicin than the single-agent treatment at IC50.
Design, Synthesis, and Biological Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Dual Degradation of IGF-1R and Src
Authors: Manda Sudhakar , Lee Na Keum , Oh Dong-Chan , Lee Jeeyeon
Published: April 2020

A focused PROTAC library was developed to degrade both IGF-1R and Src proteins, which are associated with various cancers. PROTACs with IGF-1R and Src degradation potentials were synthesized by tethering different inhibitor warhead units and the E3 ligase (CRBN) recruiting-pomalidomide with various linkers. The designed PROTACs 12a–b inhibited the proliferation and migration of MCF7 and A549 cancer cells with low micromolar potency (1–5 μM) in various cellular assays.
Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors
Authors: Sirous Hajar , Campiani Giuseppe , Brogi Simone , Calderone Vincenzo , Chemi Giulia
Published: April 2020

Histone deacetylases (HDACs) are a class of epigenetic modulators overexpressed in numerous types of cancers. Consequently, HDAC inhibitors (HDACIs) have emerged as promising antineoplastic agents. Unfortunately, the most developed HDACIs suffer from poor selectivity towards a specific isoform, limiting their clinical applicability. Among the isoforms, HDAC1 represents a crucial target for designing selective HDACIs, being aberrantly expressed in several malignancies. Accordingly, the development of a predictive in silico tool employing a large set of HDACIs (aminophenylbenzamide derivatives) is herein presented for the first time. Software Phase was used to derive a 3D-QSAR model, employing as alignment rule a common-features pharmacophore built on 20 highly active/selective HDAC1 inhibitors. The 3D-QSAR model was generated using 370 benzamide-based HDACIs, which yielded an excellent correlation coefficient value (R2 = 0.958) and a satisfactory predictive power (Q2 = 0.822; Q2F3 = 0.894). The model was validated (r2ext_ts = 0.794) using an external test set (113 compounds not used for generating the model), and by employing a decoys set and the receiver-operating characteristic (ROC) curve analysis, evaluating the Güner–Henry score (GH) and the enrichment factor (EF). The results confirmed a satisfactory predictive power of the 3D-QSAR model. This latter represents a useful filtering tool for screening large chemical databases, finding novel derivatives with improved HDAC1 inhibitory activity.
Precise Measurement of Tellurium Isotope Ratios in Terrestrial Standards Using a Multiple Collector Inductively Coupled Plasma Mass Spectrometry
Authors: Murugan Rajamanickam , Aono Tatsuo , Sahoo Sarata Kumar
Published: April 2020

Precise tellurium (Te) isotope ratio measurement using mass spectrometry is a challenging task for many decades. In this paper, Te isotope ratio measurements using multi-collector inductively coupled plasma mass spectrometry (MC–ICP–MS) in terrestrial Te standards have been reported. Newly developed Faraday cup with 1012 Ω resistor is used to measure low abundance 120Te, whereas the 1011 Ω resistor is used to measure other Te isotopes. The relative standard deviation obtained for Te isotope ratio measurement by Faraday cups of 120Te/128Te [0.002907(05)], 122Te/128Te [0.079646(10)], 123Te/128Te [0.027850(07)], 125Te/128Te [0.221988(09)], 126Te/128Te [0.592202(20)], and 130Te/128Te [1.076277(30)] were 0.140%, 0.014%, 0.026%, 0.005%, 0.004%, and 0.004%, respectively. The measured isotope ratio results are compared with previous results obtained by thermal ionization mass spectrometry (TIMS), negative thermal ionization mass spectrometry (N–TIMS), and MC–ICP–MS, showing an improvement in the precision about one order of magnitude for 120Te/128Te ratio. The present study shows better precision for Te isotope ratios compared to earlier studies.
A New Italian Purple Corn Variety (Moradyn) Byproduct Extract: Antiglycative and Hypoglycemic In Vitro Activities and Preliminary Bioaccessibility Studies
Authors: Ferron Lucia , Colombo Raffaella , Mannucci Barbara , Papetti Adele
Published: April 2020

The reuse of byproducts from agricultural and food industries represents the key factor in a circular economy, whose interest has grown in the last two decades. Thus, the extraction of bioactives from agro-industrial byproducts is a potential source of valuable molecules. The aim of this work was to investigate the in vitro capacity of byproducts from a new Italian corn variety, named Moradyn, to inhibit the accumulation of advanced glycation end products (AGEs) involved in several chronic age-related disorders. In addition, the hypoglycemic effect of Moradyn was tested by in vitro enzymatic systems. A Moradyn phytocomplex and its purified anthocyanin fraction were able to inhibit fructosamine formation and exhibited antiglycative properties when tested using BSA-sugars and BSA-methylglyoxal assays. These properties could be attributed to the polyphenols, mainly anthocyanins and flavonols, detected by RP-HPLC-DAD-ESI-MSn. Finally, a Moradyn phytocomplex was submitted to a simulated in vitro digestion process to study its bioaccessibility. Moradyn could be considered as a promising food ingredient in the context of typical type 2 diabetes risk factors and the study will continue in the optimization of the ideal formulation to preserve its bioactivities from digestion.
HOCl Responsive Lanthanide Complexes Using Hydroquinone Caging Units
Authors: Del Giorgio Elena , Sørensen Thomas Just
Published: April 2020

Redox biology is still looking for tools to monitor redox potential in cellular biology and, despite a large and sustained effort, reliable molecular probes have yet to emerge. In contrast, molecular probes for reactive oxygen and nitrogen have been widely explored. In this manuscript, three kinetically inert lanthanide complexes that selectively react with hypochlorous acid are prepared and characterized. The design is based on 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (DO3A) and 1,4,7,10-tetraazacyclododecane-1,7-diacetic acid (DO2A) ligands appended with one or two redox active hydroquinone derived arms, thereby forming octadentate ligands ideally suited to complex trivalent lanthanide ions. The three complexes are found to react selectively with hypochlorous acid to form highly symmetric lanthanide(III) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacedic acid (DOTA) complexes. The conversion of the probe to [Ln.DOTA]− is followed by luminescence, absorption, and NMR spectroscopy in a model system comprised of a Triton-X modified HEPES buffer. It was concluded that the design principle works, and that simple caging units like hydroquinones can work well in conjugation with lanthanide(III) complexes.
Oxidative Dehydrogenation of Propane over Vanadium-Containing Faujasite Zeolite
Authors: Smoliło Małgorzata , Samson Katarzyna , Zhou Ting , Duraczyńska Dorota , Ruggiero-Mikołajczyk Małgorzata , Drzewiecka-Matuszek Agnieszka , Rutkowska-Zbik Dorota
Published: April 2020

Oxidative dehydrogenation (ODH) of light alkanes to olefins—in particular, using vanadium-based catalysts—is a promising alternative to the dehydrogenation process. Here, we investigate how the activity of the vanadium phase in ODH is related to its dispersion in porous matrices. An attempt was made to synthesize catalysts in which vanadium was deposited on a microporous faujasite zeolite (FAU) with the hierarchical (desilicated) FAU as supports. These yielded different catalysts with varying amounts and types of vanadium phase and the porosity of the support. The phase composition of the catalysts was confirmed by X-ray diffraction (XRD); low temperature nitrogen sorption experiments resulted in their surface area and pore volumes, and reducibility was measured with a temperature-programmed reduction with a hydrogen (H2-TPR) method. The character of vanadium was studied by UV-VIS spectroscopy. The obtained samples were subjected to catalytic tests in the oxidative dehydrogenation of propane in a fixed-bed gas flow reactor with a gas chromatograph to detect subtract and reaction products at a temperature range from 400–500 °C, with varying contact times. The sample containing 6 wt% of vanadium deposited on the desilicated FAU appeared the most active. The activity was ascribed to the presence of the dispersed vanadium ions in the tetragonal coordination environment and support mesoporosity.
Understanding Surface Modulation to Improve the Photo/Electrocatalysts for Water Oxidation/Reduction
Authors: Cho Yunhee , Le Thi Anh , Lee Hyoyoung
Published: April 2020

Water oxidation and reduction reactions play vital roles in highly efficient hydrogen production conducted by an electrolyzer, in which the enhanced efficiency of the system is apparently accompanied by the development of active electrocatalysts. Solar energy, a sustainable and clean energy source, can supply the kinetic energy to increase the rates of catalytic reactions. In this regard, understanding of the underlying fundamental mechanisms of the photo/electrochemical process is critical for future development. Combining light-absorbing materials with catalysts has become essential to maximizing the efficiency of hydrogen production. To fabricate an efficient absorber-catalysts system, it is imperative to fully understand the vital role of surface/interface modulation for enhanced charge transfer/separation and catalytic activity for a specific reaction. The electronic and chemical structures at the interface are directly correlated to charge carrier movements and subsequent chemical adsorption and reaction of the reactants. Therefore, rational surface modulation can indeed enhance the catalytic efficiency by preventing charge recombination and prompting transfer, increasing the reactant concentration, and ultimately boosting the catalytic reaction. Herein, the authors review recent progress on the surface modification of nanomaterials as photo/electrochemical catalysts for water reduction and oxidation, considering two successive photogenerated charge transfer/separation and catalytic chemical reactions. It is expected that this review paper will be helpful for the future development of photo/electrocatalysts.
Large-Scale Evaluation of Major Soluble Macromolecular Components of Fish Muscle from a Conventional 1H-NMR Spectral Database
Authors: Wei Feifei , Fukuchi Minoru , Ito Kengo , Sakata Kenji , Asakura Taiga , Date Yasuhiro , Kikuchi Jun
Published: April 2020

Conventional proton nuclear magnetic resonance (1H-NMR) has been widely used for identification and quantification of small molecular components in food. However, identification of major soluble macromolecular components from conventional 1H-NMR spectra is difficult. This is because the baseline appearance is masked by the dense and high-intensity signals from small molecular components present in the sample mixtures. In this study, we introduced an integrated analytical strategy based on the combination of additional measurement using a diffusion filter, covariation peak separation, and matrix decomposition in a small-scale training dataset. This strategy is aimed to extract signal profiles of soluble macromolecular components from conventional 1H-NMR spectral data in a large-scale dataset without the requirement of re-measurement. We applied this method to the conventional 1H-NMR spectra of water-soluble fish muscle extracts and investigated the distribution characteristics of fish diversity and muscle soluble macromolecular components, such as lipids and collagens. We identified a cluster of fish species with low content of lipids and high content of collagens in muscle, which showed great potential for the development of functional foods. Because this mechanical data processing method requires additional measurement of only a small-scale training dataset without special sample pretreatment, it should be immediately applicable to extract macromolecular signals from accumulated conventional 1H-NMR databases of other complex gelatinous mixtures in foods.
A Systems Biological Approach to Understanding the Mechanisms Underlying the Therapeutic Potential of Red Ginseng Supplements against Metabolic Diseases
Authors: Jeong Eunseon , Lim Yeni , Kim Kyeong Jin , Ki Hyeon-Hui , Lee Doheon , Suh Jaehyun , So Seung-Ho , Kwon Oran , Kim Ji Yeon
Published: April 2020

Red ginseng has been widely used in health-promoting supplements in Asia and is becoming increasingly popular in Western countries. However, its therapeutic mechanisms against most diseases have not been clearly elucidated. The aim of the present study was to provide the biological mechanisms of red ginseng against various metabolic diseases. We used a systems biological approach to comprehensively identify the component-target and target-pathway networks in order to explore the mechanisms underlying the therapeutic potential of red ginseng against metabolic diseases. Of the 23 components of red ginseng with target, 5 components were linked with 37 target molecules. Systematic analysis of the constructed networks revealed that these 37 targets were mainly involved in 9 signaling pathways relating to immune cell differentiation and vascular health. These results successfully explained the mechanisms underlying the efficiency of red ginseng for metabolic diseases, such as menopausal symptoms in women, blood circulation, diabetes mellitus, and hyperlipidemia.
Analysis of Antioxidant Activity and Flavonoids Metabolites in Peel and Flesh of Red-Fleshed Apple Varieties
Authors: Zhang Xiang , Xu Jihua , Xu Zhaobo , Sun Xiaohong , Zhu Jun , Zhang Yugang
Published: April 2020

In this research, we compared the phenotypical characters, total anthocyanins content, total phenols content, and antioxidant activity of red-fleshed apple cultivars ‘XJ4’, ‘QN-5’, ‘DH’ and ‘HX1’ at three fruit developmental stages. A further flavonoids metabolites study was conducted in ‘XJ4’ and ‘DH’. We found broader variation of total anthocyanins content in the peel of the four cultivars, which might result in larger differences of free radicals scavenging rate. The most significant difference in fruit phenotype, anthocyanins content, and DPPH scavenging rate was observed between ‘XJ4’ and ‘DH’ at mature stage. Therefore, the flavonoids metabolites of ‘XJ4’ and ‘DH’ at mature stage were compared to unveil the details of anthocyanins compounds. The unique compounds pelargonidin 3-O-β-d-glucoside and cyanidin-3-O-malonylhexoside were detected only in peel and flesh of ‘XJ4’ but not in ‘DH’, which might contribute to the purple peel and dark-red flesh color of ‘XJ4’. Significantly decreased upstream metabolites in the early biosynthetic genes regulated domain were found only in ‘XJ4’ peel but not in the flesh. This might explain why the anthocyanins content in ‘XJ4’ peel was decreased largely at the mature stage. Taken together, our findings will give some insight into the metabolites study in flavonoid biosynthetic pathway of red-fleshed apple.
Bioactive Phytochemical Constituents of Wild Edible Mushrooms from Southeast Asia
Authors: Thu Zaw Min , Myo Ko Ko , Aung Hnin Thanda , Clericuzio Marco , Armijos Chabaco , Vidari Giovanni
Published: April 2020

Mushrooms have a long history of uses for their medicinal and nutritional properties. They have been consumed by people for thousands of years. Edible mushrooms are collected in the wild or cultivated worldwide. Recently, mushroom extracts and their secondary metabolites have acquired considerable attention due to their biological effects, which include antioxidant, antimicrobial, anti-cancer, anti-inflammatory, anti-obesity, and immunomodulatory activities. Thus, in addition to phytochemists, nutritionists and consumers are now deeply interested in the phytochemical constituents of mushrooms, which provide beneficial effects to humans in terms of health promotion and reduction of disease-related risks. In recent years, scientific reports on the nutritional, phytochemical and pharmacological properties of mushroom have been overwhelming. However, the bioactive compounds and biological properties of wild edible mushrooms growing in Southeast Asian countries have been rarely described. In this review, the bioactive compounds isolated from 25 selected wild edible mushrooms growing in Southeast Asia have been reviewed, together with their biological activities. Phytoconstituents with antioxidant and antimicrobial activities have been highlighted. Several evidences indicate that mushrooms are good sources for natural antioxidants and antimicrobial agents
Cytotoxic Activities and Molecular Mechanisms of the Beauvericin and Beauvericin G1 Microbial Products against Melanoma Cells
Authors: Lim Haet Nim , Jang Jun-Pil , Shin Hee Jeong , Jang Jae-Hyuk , Ahn Jong Seog , Jung Hye Jin
Published: April 2020

Melanoma is the most serious type of skin cancer and remains highly drug-resistant. Therefore, the discovery of novel effective agents against melanoma is in high demand. Herein, we investigated the cytotoxic activities in melanoma cells and underlying molecular mechanisms of beauvericin (BEA) and its analogue beauvericin G1 (BEA G1), which are cyclohexadepsipeptides isolated from fungi. BEA and BEA G1 significantly suppressed the growth, clonogenicity, migration, and invasion of A375SM human melanoma cells and promoted caspase-dependent apoptosis through upregulation of death receptors, as well as modulation of pro- and anti-apoptotic Bcl-2 family members. Furthermore, the effects of BEA and BEA G1 were associated with the suppression of multiple molecular targets that play crucial roles in melanoma oncogenesis, including ERK, JNK, p38, NF-κB, STAT3, and MITF. Notably, the cytotoxic efficacy of BEA G1 against A375SM cells was stronger than that of BEA. These findings suggest that BEA and BEA G1 can be further investigated as potent cytotoxic natural compounds for the suppression of melanoma progression.
Kinetic Studies on Radical Scavenging Activity of Kaempferol Decreased by Sn(II) Binding
Authors: Yang Zhi-Yin , Qian Ling-Ling , Xu Yi , Song Meng-Ting , Liu Chao , Han Rui-Min , Zhang Jian-Ping , Skibsted Leif H.
Published: April 2020

Sn(II) binds to kaempferol (HKaem, 3,4′,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one) at the 3,4-site forming [Sn(II)(Kaem)2] complex in ethanol. DPPH• scavenging efficiency of HKaem is dramatically decreased by SnCl2 coordination due to formation of acid inhibiting deprotonation of HKaem as ligands and thus reduces the radical scavenging activity of the complex via a sequential proton-loss electron transfer (SPLET) mechanism. Moderate decreases in the radical scavenging of HKaem are observed by Sn(CH3COO)2 coordination and by contact between Sn and HKaem, in agreement with the increase in the oxidation potential of the complex compared to HKaem, leading to a decrease in antioxidant efficiency for fruits and vegetables with Sn as package materials.
Antimicrobial Testing of Schinus molle (L.) Leaf Extracts and Fractions Followed by GC-MS Investigation of Biological Active Fractions
Authors: Turchetti Giovanni , Garzoli Stefania , Laghezza Masci Valentina , Sabia Carla , Iseppi Ramona , Giacomello Pierluigi , Tiezzi Antonio , Ovidi Elisa
Published: April 2020

Schinus molle (L.) is a dioecious plant of the Anacardiaceae family, originating in South America and currently widespread in many regions throughout the world. In this work leaf extracts and derived low-pressure column chromatography (LPCC) fractions of S. molle L. male and female plants were investigated for the antimicrobial activity. Leaf extracts were tested on microbes Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Enterococcus faecalis, Candida albicans and Bacillus subtilis. Furthermore, the extracts showing antimicrobial activity were fractionated by LPCC and the obtained fractions tested on the same microorganism strains. Positive fractions were investigated by gas-chromatography/mass spectrometry (GC-MS) and were seen to be rich in sesquiterpenes, sesquiterpenoids and other terpens. The obtained effects highlighted the antimicrobial properties of S. molle (L.) leaf compounds and revealed their importance as a source of bioactive molecules of potential pharmaceutical interest. To our knowledge, this is the first paper reporting investigations on the chemical composition of the extracts and derived positive fractions from Schinus molle (L.) plants grown in central Italy
The Rheolaser Master™ and Kinexus Rotational Rheometer® to Evaluate the Influence of Topical Drug Delivery Systems on Rheological Features of Topical Poloxamer Gel
Authors: Cristiano Maria Chiara , Froiio Francesca , Mancuso Antonia , De Gaetano Federica , Ventura Cinzia Anna , Fresta Massimo , Paolino Donatella
Published: April 2020

Poloxamer 407 copolymer is a versatile and widely used thermo-reversible material. Its use has many advantages, such as bio-adhesion, enhanced solubilization of poorly water-soluble drugs and many applications fields like oral, rectal, topical, nasal drug administration. Hydrogels made up of Poloxamer 407 are characterized by specific rheological features, which are affected by temperature, concentration and presence of other compounds. A strategic approach in topical therapeutic treatments may be the inclusion of drug delivery systems, such as ethosomes, transfersomes and niosomes, into hydrogel poloxamer formulation. The evaluation of the interaction between colloidal carriers and the Poloxamer 407 hydrogel network is essential for a suitable design of an innovative topical dosage form. For this reason, the Rheolaser Master™, based on diffusing wave spectroscopy, and a Kinexus Rotational Rheometer were used to evaluate the influence of nanocarriers on the microrheological features of hydrogels. The advantages of the Rheolaser Master™ analyzer are: (i) its ability to determine viscoelastic parameter, without altering or destroying the sample and at rest (zero shear); (ii) possibility of aging analysis on the same sample. This study provide evidence that vesicular systems do not influence the rheological features of the gel, supporting the possibility to encapsulate an innovative system into a three-dimensional network.
Structure–Activity Relationships and Biological Evaluation of 7-Substituted Harmine Analogs for Human β-Cell Proliferation
Authors: Kumar Kunal , Wang Peng , A. Swartz Ethan , Khamrui Susmita , Secor Cody , B. Lazarus Michael , Sanchez Roberto , F. Stewart Andrew , DeVita Robert J.
Published: April 2020

Recently, we have shown that harmine induces β-cell proliferation both in vitro and in vivo, mediated via the DYRK1A-NFAT pathway. We explore structure–activity relationships of the 7-position of harmine for both DYRK1A kinase inhibition and β-cell proliferation based on our related previous structure–activity relationship studies of harmine in the context of diabetes and β-cell specific targeting strategies. 33 harmine analogs of the 7-position substituent were synthesized and evaluated for biological activity. Two novel inhibitors were identified which showed DYRK1A inhibition and human β-cell proliferation capability. The DYRK1A inhibitor, compound 1-2b, induced β-cell proliferation half that of harmine at three times higher concentration. From these studies we can draw the inference that 7-position modification is limited for further harmine optimization focused on β-cell proliferation and cell-specific targeting approach for diabetes therapeutics.
The Effect of Different Oxygen Surface Functionalization of Carbon Nanotubes on the Electrical Resistivity and Strain Sensing Function of Cement Pastes
Authors: Del Moral B. , Martín Gullón I. , Navarro R. , Galao O. , Baeza F.J. , Zornoza E. , Calderón B. , Rodríguez I. , Arnaiz N. , Romero Sánchez M.D. , Garcés P.
Published: April 2020

Different studies in the literature indicate the effectiveness of CNTs as reinforcing materials in cement–matrix composites due to their high mechanical strength. Nevertheless, their incorporation into cement presents some difficulties due to their tendency to agglomerate, yielding a non-homogeneous dispersion in the paste mix that results in a poor cement–CNTs interaction. This makes the surface modification of the CNTs by introducing functional groups on the surface necessary. In this study, three different treatments for incorporating polar oxygen functional groups onto the surface of carbon nanotubes have been carried out, with the objective of evaluating the influence of the type and oxidation degree on the mechanical and electrical properties and in strain-sensing function of cement pastes containing CNTs. One treatment is in liquid phase (surface oxidation with HNO3/H2SO4), the second is in gas phase (O3 treatment at 25 and 160 °C), and a third is a combination of gas-phase O3 treatment plus NaOH liquid phase. The electrical conductivity of cement pastes increased with O3- and O3-NaOH-treated CNTs with respect to non-treated ones. Furthermore, the oxygen functionalization treatments clearly improve the strain sensing performance of the CNT-cement pastes, particularly in terms of the accuracy of the linear correlation between the resistance and the stress, as well as the increase in the gage factor from 28 to 65. Additionally, the incorporation of either non-functionalized or functionalized CNTs did not produce any significant modification of the mechanical properties of CNTs. Therefore, the functionalization of CNTs favours the de-agglomeration of CNTs in the cement matrix and consequently, the electrical conductivity, without affecting the mechanical behaviour.
3-Dimensional Porous Carbon with High Nitrogen Content Obtained from Longan Shell and Its Excellent Performance for Aqueous and All-Solid-State Supercapacitors
Authors: Liu Yuhao , Qu Xiaoxiao , Huang Guangxu , Xing Baolin , Zhang Fengmei , Li Binbin , Zhang Chuanxiang , Cao Yijun
Published: April 2020

Three-dimensional porous carbon is considered as an ideal electrode material for supercapacitors (SCs) applications owing to its good conductivity, developed pore structure, and excellent connectivity. Herein, using longan shell as precursor, 3-dimensional porous carbon with abundant and interconnected pores and moderate heteroatoms were obtained via simple carbonization and potassium hydroxide (KOH) activation treatment. The electrochemical performances of obtained 3-dimensional porous carbon were investigated as electrode materials in symmetric SCs with aqueous and solid electrolytes. The optimized material that is named after longan shell 3-dimensional porous carbon 800 (LSPC800) possesses high porosity (1.644 cm3 g−1) and N content (1.14 at %). In the three-electrode measurement, the LSPC800 displays an excellent capacitance value of 359 F g−1. Besides, the LSPC800 also achieves splendid specific capacitance (254 F g−1) in the two electrode system, while the fabricated SC employing 1 M Li2SO4 as electrolyte acquires ultrahigh power density (15930.38 W kg−1). Most importantly, LSPC800 electrodes are further applied into the SC adopting the KOH/polyvinyl alcohol (PVA) gel electrolyte, which reaches up to an outstanding capacitance of 313 F g−1 at 0.5 A g−1. In addition, for the all-solid-state SC, its rate capability at 50 A g−1 is 72.73% and retention at the 10,000th run is 93.64%. Evidently, this work is of great significance to the simple fabrication of 3-dimensional porous carbon and further opens up a way of improving the value-added utilization of biomass materials, as well as proving that the biomass porous carbons have immense potential for high-performance SCs application.
Biological Safety and Biodistribution of Chitosan Nanoparticles
Authors: Sonin Dmitry , Pochkaeva Evgeniia , Zhuravskii Sergei , Postnov Viktor , Korolev Dmitry , Vasina Lyubov , Kostina Daria , Mukhametdinova Daria , Zelinskaya Irina , Skorik Yury , Naumysheva Elena , Malashicheva Anna , Somov Pavel , Istomina Maria , Rubanova Natalia , Aleksandrov Ilia , Vasyutina Marina , Galagudza Michael
Published: April 2020

The effect of unmodified chitosan nanoparticles with a size of ~100 nm and a weakly positive charge on blood coagulation, metabolic activity of cultured cardiomyocytes, general toxicity, biodistribution, and reactive changes in rat organs in response to their single intravenous administration at doses of 1, 2, and 4 mg/kg was studied. Chitosan nanoparticles (CNPs) have a small cytotoxic effect and have a weak antiplatelet and anticoagulant effect. Intravenous administration of CNPs does not cause significant hemodynamic changes, and 30 min after the CNPs administration, they mainly accumulate in the liver and lungs, without causing hemolysis and leukocytosis. The toxicity of chitosan nanoparticles was manifested in a dose-dependent short-term delay in weight gain with subsequent recovery, while in the 2-week observation period no signs of pain and distress were observed in rats. Granulomas found in the lungs and liver indicate slow biodegradation of chitosan nanoparticles. In general, the obtained results indicate a good tolerance of intravenous administration of an unmodified chitosan suspension in the studied dose range.
A Critical Review on the Role of Food and Nutrition in the Energy Balance
Authors: Bo Simona , Fadda Maurizio , Fedele Debora , Pellegrini Marianna , Ghigo Ezio , Pellegrini Nicoletta
Published: April 2020

The mass media has increasingly frequently suggested to the general population that specific foods or nutritional schemes are able to affect both human metabolism and energy expenditure, thus facilitating weight loss. This critical review is aimed at assessing available evidence on the roles of nutrients, food and dietary regimens in energy intake and energy expenditure. We queried the National Library of Medicine, the Cochrane Library, Excerpta Medica dataBASEand the Cumulative Index to Nursing and Allied Health Literature database, and a search strategy was performed by using database-specific subject headings and keywords. We found that available scientific evidence on these topics is scarce, and that the limited number of available studies often have poor methodological quality. Only a few foods show beneficial effects on metabolism and energy expenditure, as the human energy balance is complex and multifactorial. Finally, microbiota may interfere with the intake, use and expenditure of energy in the human body. Conclusive evidence is still lacking, and, at present, it is not possible to identify a food or a diet with a significant impact on human energy expenditure.