bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal Structure and Magnetic Properties of Peacock–Weakley Type Polyoxometalates Na9[Ln(W5O18)2] (Ln = Tm, Yb): Rare Example of Tm(III) SMM
Authors: Mariichak Oleksandra Yu. , Kaabel Sandra , Karpichev Yevgen A. , Rozantsev Georgiy M. , Radio Serhii V. , Pichon Céline , Bolvin Hélène , Sutter Jean-Pascal
Published: October 2020

We report Peacock–Weakley complexes, Na9[Ln(W5O18)2]∙35H2O, formed with Tm(III), 1, and Yb(III), 2. Their syntheses, physico-chemical characterizations, crystal structures, and magnetic properties are described. Ab initio calculations are also reported. These polyoxometalate (POM) complexes were obtained using original synthetic conditions where acidification was performed with a stoichiometric amount of nitric acid to an acidity of Z = ν(H+)/ν(WO42–) = 8/10 = 0.80. Both the Tm(III) and Yb(III) derivatives were found to exhibit field-induced slow relaxation of their magnetization likely controlled by Raman and Orbach relaxation processes. 1 is a rare example of a Tm(III)-based single-molecule magnet (SMM) and is a consequence of the oblate tetragonal anti-prismatic symmetry of the coordination sphere.
A Novel Fertility Indicator Equation Using Estradiol Levels for Assessment of Phase of the Menstrual Cycle
Authors: Usala Stephen J. , Trindade A. Alexandre
Published: October 2020

Background and Objectives: Urinary hormone home monitoring assays are now available for fertility awareness methods (FAMs) of family planning, but lack sensitivity and precision in establishing the start of the fertile phase. We hypothesized that with a suitable algorithm, daily serum or blood estradiol (E2) levels could serve as a better analyte to determine the phase of the ovulatory cycle and the fertile start day (FSD). Materials and Methods: Published day-specific serum E2 levels, indexed to the serum luteinizing hormone (LH) peak, were analyzed from three independent laboratories for a threshold for a FSD. A fertility indicator quation (FIE) was discovered and tested with these data and a FSD was determined using the mean or median and variance ranges of the day-specific E2 data. Results: The considerable variance of day-specific serum E2 levels made an absolute serum E2 indicator for phase of cycle problematic. However, a FIE was discovered which maps the day-specific E2 levels of the ovulatory cycle enabling the fertile phase and transition to the luteal phase to be signaled. In this equation, FIE(D) is the value of FIE on day, D, of the cycle and has both a magnitude and sign. The magnitude of FIE(D) is the product of the normalized change in day-specific E2 levels over two consecutive intervals, (D-2, D-1) and (D-1, D), multiplied by 100, and is formulated as: (E2 (on D-1) − E2 (on D-2))/E2 (on D-2) × (E2(on D) − E2 (on D-1))/E2 (on D-1) × 100. The sign of FIE(D) is either + or − or ind (indeterminate) and is assigned on the basis of the direction of this product. Using a FIE threshold of ≥2.5 as the start of the fertile phase, the FSDs were Day −5 or Day −6, with FSD Day −4 for an outlier set of E2 levels. The maximum FIE value ranged 9.5–27.8 and occurred most often on Day −2. An inflection point with a large change in FIE magnitude and change in sign from + to − always occurred at Day 0 for all sets of day-specific E2 data signaling transition to the luteal phase. Conclusions: The fertility indicator equation, a product of two sequential normalized changes in serum E2 levels with a sign indicating confidence in direction of change, is powerful in identifying the fertile phase and subsequent transition to the postovulatory phase and may serve as a useful algorithm for FAMs of family planning.
Fluid-Structure Interaction Analysis on Membrane Behavior of a Microfluidic Passive Valve
Authors: Lin Zhen-hao , Li Xiao-juan , Jin Zhi-jiang , Qian Jin-yuan
Published: October 2020

In this paper, the effect of membrane features on flow characteristics in the microfluidic passive valve (MPV) and the membrane behavior against fluid flow are studied using the fluid-structure interaction (FSI) analysis. Firstly, the microvalve model with different numbers of microholes and pitches of microholes are designed to investigate the flow rate of the MPV. The result shows that the number of microholes on the membrane has a significant impact on the flow rate of the MPV, while the pitch of microholes has little effect on it. The constant flow rate maintained by the microvalve (the number of microholes n = 4) is 5.75 mL/min, and the threshold pressure to achieve the flow rate is 4 kPa. Secondly, the behavior of the membrane against the fluid flow is analyzed. The result shows that as the inlet pressure increases, the flow resistance of the MPV increases rapidly, and the deformation of the membrane gradually becomes stable. Finally, the effect of the membrane material on the flow rate and the deformation of the membrane are studied. The result shows that changes in the material properties of the membrane cause a decrease in the amount of deformation in all stages the all positions of the membrane. This work may provide valuable guidance for the optimization of microfluidic passive valve in microfluidic system.
In Situ Characterization of the Effect of Twin-Microstructure Interactions on {1 0 1 2} Tension and {1 0 1 1} Contraction Twin Nucleation, Growth and Damage in Magnesium
Authors: Russell William D. , Bratton Nicholas R. , Paudel YubRaj , Moser Robert D. , McClelland Zackery B. , Barrett Christopher D. , Oppedal Andrew L. , Whittington Wilburn R. , Rhee Hongjoo , Mujahid Shiraz , Paliwal Bhasker , Vogel Sven C. , El Kadiri Haitham
Published: October 2020

Through in situ electron backscatter diffraction (EBSD) experiments, this paper uncovers dominant damage mechanisms in traditional magnesium alloys exhibiting deformation twinning. The findings emphasize the level of deleterious strain incompatibility induced by twin interaction with other deformation modes and microstructural defects. A double fiber obtained by plane-strain extrusion as a starting texture of AM30 magnesium alloy offered the opportunity to track deformation by EBSD in neighboring grains where some undergo profuse {1 0 1 2} twinning and others do not. For a tensile loading applied along extrusion transverse (ET) direction, those experiencing profuse twinning reveal a major effect of grain boundaries on non-Schmid behavior affecting twin variant selection and growth. Similarly, a neighboring grain, with its ⟨c⟩-axis oriented nearly perpendicular to tensile loading, showed an abnormally early nucleation of {1 0 1 1} contraction twins (2% strain) while the same {1 0 1 1} twin mode triggering under ⟨c⟩-axis uniaxial compression have higher value of critical resolved shear stress exceeding the values for pyramidal ⟨c + a⟩ dislocations. The difference in nucleation behavior of contraction vs. compression {1 0 1 1} twins is attributed to the hydrostatic stresses that promote the required atomic shuffles at the core of twinning disconnections.
Push/Pull Inequality Based High-Speed On-Chip Mixer Enhanced by Wettability
Authors: Takayama Toshio , Hosokawa Naoya , Tsai Chia-Hung Dylan , Kaneko Makoto
Published: October 2020

In this paper, a high-speed on-chip mixer using two effects is proposed, i.e., push/pull inequality and wettability. Push/pull inequality and wettability are effective for generating a rotational fluid motion in the chamber and for enhancing the rotational speed by reducing the viscous loss between the liquid and channel wall, respectively. An on-chip mixer is composed of three components, a microfluidic channel for making the main fluid flow, a circular chamber connected to the channel for generating a rotational flow, and an actuator connected at the end of the channel allowing a push/pull motion to be applied to the liquid in the main channel. The flow patterns in the chamber under push/pull motions are nonreversible for each motion and, as a result, produce one-directional torque to the fluid in the circular chamber. This nonreversible motion is called push/pull inequality and eventually creates a swirling flow in the chamber. Using hydrophilic treatments, we executed the experiment with a straight channel and a circular chamber to clarify the mixing characteristics at different flow speeds. According to the results, it is confirmed that the swirling velocity under appropriately tuned wettability is 100 times faster than that without tuning.
Characterization and Optimization of Isotachophoresis Parameters for Pacific Blue Succinimidyl Ester Dye on a PDMS Microfluidic Chip
Authors: Somaweera Himali , Estlack Zachary , Devadhasan Jasmine Pramila , Kim Jungtae , Kim Jungkyu
Published: October 2020

Isotachophoresis (ITP) for Pacific Blue (PB) dye using a polydimethylsiloxane (PDMS) microfluidic chip is developed and characterized by determining the types and concentrations of electrolytes, the ITP duration, and the electric field density. Among candidate buffers for the trailing electrolyte (TE) and leading electrolyte (LE), 40 mM borate buffer (pH 9) and 200 mM trisaminomethane hydrochloride (Tris-HCl) (pH 8) were selected to obtain the maximum preconcentration and resolution of the PB bands, respectively. With the selected TE and LE buffers, further optimization was performed to determine the electric field (EF) density and the ITP duration. These ITP parameters showed a 20–170,000 preconcentration ratio from initial PB concentrations of 10 nM–100 fM. Further demonstration was implemented to preconcentrate PB-conjugated lactate dehydrogenase (LDH) using the PDMS microfluidic chip. By utilizing the quenching nature of PB-LDH conjugation, we were able to identify concentrations of LDH as low as 10 ng/mL. This simple PDMS microfluidic chip-based ITP for PB preconcentration enables highly sensitive biological and chemical analyses by coupling with various downstream detection systems.
An Approach to Ring Resonator Biosensing Assisted by Dielectrophoresis: Design, Simulation and Fabrication
Authors: Henriksson Anders , Kasper Laura , Jäger Matthias , Neubauer Peter , Birkholz Mario
Published: October 2020

The combination of extreme miniaturization with a high sensitivity and the potential to be integrated in an array form on a chip has made silicon-based photonic microring resonators a very attractive research topic. As biosensors are approaching the nanoscale, analyte mass transfer and bonding kinetics have been ascribed as crucial factors that limit their performance. One solution may be a system that applies dielectrophoretic forces, in addition to microfluidics, to overcome the diffusion limits of conventional biosensors. Dielectrophoresis, which involves the migration of polarized dielectric particles in a non-uniform alternating electric field, has previously been successfully applied to achieve a 1000-fold improved detection efficiency in nanopore sensing and may significantly increase the sensitivity in microring resonator biosensing. In the current work, we designed microring resonators with integrated electrodes next to the sensor surface that may be used to explore the effect of dielectrophoresis. The chip design, including two different electrode configurations, electric field gradient simulations, and the fabrication process flow of a dielectrohoresis-enhanced microring resonator-based sensor, is presented in this paper. Finite element method (FEM) simulations calculated for both electrode configurations revealed ∇E2 values above 1017 V2m−3 around the sensing areas. This is comparable to electric field gradients previously reported for successful interactions with larger molecules, such as proteins and antibodies.
A Peptide Found in Human Serum, Derived from the C-Terminus of Albumin, Shows Antifungal Activity In Vitro and In Vivo
Authors: Ciociola Tecla , Zanello Pier Paolo , D’Adda Tiziana , Galati Serena , Conti Stefania , Magliani Walter , Giovati Laura
Published: October 2020

The growing problem of antimicrobial resistance highlights the need for alternative strategies to combat infections. From this perspective, there is a considerable interest in natural molecules obtained from different sources, which are shown to be active against microorganisms, either alone or in association with conventional drugs. In this paper, peptides with the same sequence of fragments, found in human serum, derived from physiological proteins, were evaluated for their antifungal activity. A 13-residue peptide, representing the 597–609 fragment within the albumin C-terminus, was proved to exert a fungicidal activity in vitro against pathogenic yeasts and a therapeutic effect in vivo in the experimental model of candidal infection in Galleria mellonella. Studies by confocal microscopy and transmission and scanning electron microscopy demonstrated that the peptide penetrates and accumulates in Candida albicans cells, causing gross morphological alterations in cellular structure. These findings add albumin to the group of proteins, which already includes hemoglobin and antibodies, that could give rise to cryptic antimicrobial fragments, and could suggest their role in anti-infective homeostasis. The study of bioactive fragments from serum proteins could open interesting perspectives for the development of new antimicrobial molecules derived by natural sources.
Extracellular Traps Released by Neutrophils from Cats are Detrimental to Toxoplasma gondii Infectivity
Authors: Macedo Isabela S. , Lima Marcos V. A. , Souza Jéssica S. , Rochael Natalia C. , Caldas Pedro N. , Barbosa Helene S. , Lara Flávio A. , Saraiva Elvira M. , Mariante Rafael M.
Published: October 2020

Toxoplasma gondii is the causative agent of toxoplasmosis, an infectious disease that affects over 30% of the human world population, causing fatal infections in immunocompromised individuals and neonates. The life cycle of T. gondii is complex, and involves intermediate hosts (birds and mammals) and definitive hosts (felines, including domestic cats). The innate immune repertoire against the parasite involves the production of neutrophil extracellular traps (NET), and neutrophils from several intermediate hosts produce NET induced by T. gondii. However, the mechanisms underlying NET release in response to the parasite have been poorly explored. Therefore, the aims of this study were to investigate whether neutrophils from cats produce NET triggered by T. gondii and to understand the mechanisms thereby involved. Neutrophils from cats were stimulated with T. gondii tachyzoites and NET-derived DNA in the supernatant was quantified during the time. The presence of histone H1 and myeloperoxidase was detected by immunofluorescence. We observed that cat neutrophils produce both classical and rapid/early NET stimulated by T. gondii. Inhibition of elastase, intracellular calcium, and phosphatidylinositol 3-kinase (PI3K)-δ partially blocked classical NET release in response to the parasite. Electron microscopy revealed strands and networks of DNA in close contact or completely entrapping parasites. Live imaging showed that tachyzoites are killed by NET. We conclude that the production of NET is a conserved strategy to control infection by T. gondii amongst intermediate and definitive hosts.
Effect of a High Proportion of Rye in Compound Feed for Reduction of Salmonella Typhimurium in Experimentally Infected Young Pigs
Authors: Chuppava Bussarakam , Wilke Volker , Hartung Clara Berenike , El-Wahab Amr Abd , Grone Richard , von Felde Andreas , Kamphues Josef , Visscher Christian
Published: October 2020

Public health concerns and the potential for food-borne zoonotic transmission have made Salmonella a subject of surveillance programs in food-producing animals. Forty-two piglets (25 d of age and initially 7.48 kg) were used in a 28 d infection period to evaluate the effects of a high proportion of rye on reducing Salmonella Typhimurium. Piglets were divided into two diet groups: control diet (wheat 69%) and experimental diet (rye 69%). After a one-week adaptation period, all piglets were orally infected with Salmonella Typhimurium (107 log CFU/mL; 2mL/pig). Salmonella in fecal shedding were evaluated at day 1, 3, 5, 7 and then weekly after infection. At the end of the experimental period (at day 28 after infection), the piglets were euthanized to sample feces, cecal digesta contents and ileocecal lymph nodes to determine the bacterial counts of Salmonella. The results suggest that the bacterial counts in the experimental group fed rye diets showed evidence of reducing Salmonella fecal shedding from day 14 onwards and decreasing the number of Salmonella in cecal digesta. However, the translocation of Salmonella in ileocecal lymph nodes was not affected. Furthermore, feed intake, weight gain and feed conversion did not differ between the groups (p > 0.05).
Interactive Relationship between Cementitious Materials and Acid Mine Drainage: Their Effects on Chromium Cr(VI) Removal
Authors: Shabalala Ayanda N. , Basitere Moses
Published: October 2020

Elevated hexavalent chromium (Cr(VI)) levels in pervious concrete may undermine its successful application in water treatment. Portland cement CEM I 52.5R (CEM I), coal fly ash (FA), natural zeolite and ground granulated blast-furnace slag (GGBS) were evaluated as adsorbents for removal of Cr(VI) from acid mine drainage (AMD). Adsorption experiments were conducted at dosages of 6, 10, 30 and 60 g of adsorbent in 200 mL of AMD, while the mixing contact time was varied from 15 to 300 min. It was found that the use of CEM1 and FA adsorbents strongly increased the Cr(VI) concentration in AMD. Conversely, zeolite and GGBS removed up to 76% and 100% of Cr(VI) from AMD, respectively, upon their use at dosages of at least 10 g of the adsorbent. Freundlich isotherm was found better fitted with a high correlation coefficient (R2 = 0.998 for zeolite and 0.973 for GGBS) than to the Langmuir model (R2 = 0.965 for zeolite and 0.955 for GGBS). Adsorption and ion exchange seem to be active mechanisms for the Cr(VI) removal. These results suggest that zeolite and GGBS can be considered as partial cement replacement materials for effective reduction or removal of Cr(VI) from the treated water.
Thermal Beneficiation of Sra Ouertane (Tunisia) Low-Grade Phosphate Rock
Authors: Abbes Noureddine , Bilal Essaid , Hermann Ludwig , Steiner Gerald , Haneklaus Nils
Published: October 2020

Low-grade phosphate rock from Sra Ouertane (Tunisia) was beneficiated using a thermal treatment consisting of calcination, quenching, and disliming. Untreated phosphate rock samples (group 1), calcined phosphate rock samples (group 2), as well as calcined, quenched, and dislimed (group 3) phosphate rock samples, were investigated using inductively-coupled plasma atomic emission spectroscopy (ICP-AES), inductively-coupled plasma mass spectrometry (ICP-MS), thermogravimetric analysis (TGA), and X-ray powder diffraction (XRD). Besides, the particle size distribution of the aforementioned three groups was determined. The proposed thermal treatment successfully increased the P2O5 content of the untreated phosphate rock from 20.01 wt% (group 1) to 24.24 wt% (group 2) after calcination and, finally, 27.24 wt% (group 3) after calcination, quenching, and disliming. It was further found that the concentration of relevant accompanying rare earth elements (Ce, La, Nd, Pr, Sm, and Y) was increased and that the concentration of Cd could be significantly reduced from 30 mg/kg to 14 mg/kg with the proposed treatment. The resulting phosphate concentrate showed relatively high concentrations in metal oxides: Ʃ MgO, Fe2O3, Al2O3 = 3.63 wt% and silica (9.81 wt%) so that it did not meet the merchant grade specifications of a minimum P2O5 content of 30 wt% yet. Removal of these elements could be achieved using additional appropriate separation techniques.
Special Issue: Frontiers in RNA Structure
Authors: Vicens Quentin
Published: October 2020

The frontiers of our knowledge about RNA structure are rapidly moving [...]
Structural Evolution and Magnetic Properties of Gd2Hf2O7 Nanocrystals: Computational and Experimental Investigations
Authors: Pokhrel Madhab , Dimakis Nicholas , Dannangoda Chamath , Gupta Santosh K. , Martirosyan Karen S. , Mao Yuanbing
Published: October 2020

Structural evolution in functional materials is a physicochemical phenomenon, which is important from a fundamental study point of view and for its applications in magnetism, catalysis, and nuclear waste immobilization. In this study, we used x-ray diffraction and Raman spectroscopy to examine the Gd2Hf2O7 (GHO) pyrochlore, and we showed that it underwent a thermally induced crystalline phase evolution. Superconducting quantum interference device measurements were carried out on both the weakly ordered pyrochlore and the fully ordered phases. These measurements suggest a weak magnetism for both pyrochlore phases. Spin density calculations showed that the Gd3+ ion has a major contribution to the fully ordered pyrochlore magnetic behavior and its cation antisite. The origin of the Gd magnetism is due to the concomitant shift of its spin-up 4f orbital states above the Fermi energy and its spin-down states below the Fermi energy. This picture is in contrast to the familiar Stoner model used in magnetism. The ordered pyrochlore GHO is antiferromagnetic, whereas its antisite is ferromagnetic. The localization of the Gd-4f orbitals is also indicative of weak magnetism. Chemical bonding was analyzed via overlap population calculations: These analyses indicate that Hf-Gd and Gd-O covalent interactions are destabilizing, and thus, the stabilities of these bonds are due to ionic interactions. Our combined experimental and computational analyses on the technologically important pyrochlore materials provide a basic understanding of their structure, bonding properties, and magnetic behaviors.
Essential Oils from Monarda fistulosa: Chemical Composition and Activation of Transient Receptor Potential A1 (TRPA1) Channels
Authors: Ghosh Monica , Schepetkin Igor A. , Özek Gulmira , Özek Temel , Khlebnikov Andrei I. , Damron Derek S. , Quinn Mark T.
Published: October 2020

Little is known about the pharmacological activity of Monarda fistulosa L. essential oils. To address this issue, we isolated essential oils from the flowers and leaves of M. fistulosa and analyzed their chemical composition. We also analyzed the pharmacological effects of M. fistulosa essential oils on transient receptor potential (TRP) channel activity, as these channels are known targets of various essential oil constituents. Flower (MEOFl) and leaf (MEOLv) essential oils were comprised mainly of monoterpenes (43.1% and 21.1%) and oxygenated monoterpenes (54.8% and 77.7%), respectively, with a high abundance of monoterpene hydrocarbons, including p-cymene, γ-terpinene, α-terpinene, and α-thujene. Major oxygenated monoterpenes of MEOFl and MEOLv included carvacrol and thymol. Both MEOFl and MEOLv stimulated a transient increase in intracellular free Ca2+ concentration ([Ca2+]i) in TRPA1 but not in TRPV1 or TRPV4-transfected cells, with MEOLv being much more effective than MEOFl. Furthermore, the pure monoterpenes carvacrol, thymol, and β-myrcene activated TRPA1 but not the TRPV1 or TRPV4 channels, suggesting that these compounds represented the TRPA1-activating components of M. fistulosa essential oils. The transient increase in [Ca2+]i induced by MEOFl/MEOLv, carvacrol, β-myrcene, and thymol in TRPA1-transfected cells was blocked by a selective TRPA1 antagonist, HC-030031. Although carvacrol and thymol have been reported previously to activate the TRPA1 channels, this is the first report to show that β-myrcene is also a TRPA1 channel agonist. Finally, molecular modeling studies showed a substantial similarity between the docking poses of carvacrol, thymol, and β-myrcene in the binding site of human TRPA1. Thus, our results provide a cellular and molecular basis to explain at least part of the therapeutic properties of these essential oils, laying the foundation for prospective pharmacological studies involving TRP ion channels.
Target and Suspect HRMS Metabolomics for the Determination of Functional Ingredients in 13 Varieties of Olive Leaves and Drupes from Greece
Authors: Kritikou Evangelia , Kalogiouri Natasa P. , Kolyvira Lydia , Thomaidis Nikolaos S.
Published: October 2020

The huge interest in the health-related properties of foods to improve health has brought about the development of sensitive analytical methods for the characterization of natural products with functional ingredients. Greek olive leaves and drupes constitute a valuable source of biophenols with functional properties. A novel ultra-high-performance liquid chromatography–quadrupole time of flight tandem mass spectrometry (UHPLC-QTOF-MS) analytical method was developed to identify biophenols through target and suspect screening in Greek olive leaves and drupes of the varieties: Koroneiki, Throumbolia, Konservolia, Koutsourelia, Kalamon, Petrolia, Amigdalolia, Megaritiki, Mastoeidis, Agouromanakolia, Agrilia, Adramitiani and Kolovi. The method’s performance was evaluated using the target compounds: oleuropein, tyrosol and hydroxytyrosol. The analytes demonstrated satisfactory recovery efficiency for both leaves (85.9–90.5%) and drupes (89.7–92.5%). Limits of detection (LODs) were relatively low over the range 0.038 (oleuropein)–0.046 (hydroxytyrosol) and 0.037 (oleuropein)–0.048 (hydroxytyrosol) for leaves and drupes, respectively For leaves, the precision limit ranged between 4.7% and 5.8% for intra-day and between 5.8% and 6.5% for inter-day experiments, and for drupes, it ranged between 3.8% and 5.2% for intra-day and between 5.1 and 6.2% for inter-day experiments, establishing the good precision of the method. The regression coefficient (r2) was above 0.99 in all cases. Furthermore, the preparation of herbal tea from olive leaves is suggested after investigating the optimum infusion time of dried leaves in boiling water. Overall, 10 target and 36 suspect compounds were determined in leaves, while seven targets and thirty-three suspects were identified in drupes, respectively.
Highly Multiplexed Single-Cell In Situ RNA and DNA Analysis by Consecutive Hybridization
Authors: Xiao Lu , Liao Renjie , Guo Jia
Published: October 2020

The ability to comprehensively profile nucleic acids in individual cells in their natural spatial contexts is essential to advance our understanding of biology and medicine. Here, we report a novel method for spatial transcriptomics and genomics analysis. In this method, every nucleic acid molecule is detected as a fluorescent spot at its natural cellular location throughout the cycles of consecutive fluorescence in situ hybridization (C-FISH). In each C-FISH cycle, fluorescent oligonucleotide probes hybridize to the probes applied in the previous cycle, and also introduce the binding sites for the next cycle probes. With reiterative cycles of hybridization, imaging and photobleaching, the identities of the varied nucleic acids are determined by their unique color sequences. To demonstrate the feasibility of this method, we show that transcripts or genomic loci in single cells can be unambiguously quantified with 2 fluorophores and 16 C-FISH cycles or with 3 fluorophores and 9 C-FISH cycles. Without any error correction, the error rates obtained using the raw data are close to zero. These results indicate that C-FISH potentially enables tens of thousands (216 = 65,536 or 39 = 19,683) of different transcripts or genomic loci to be precisely profiled in individual cells in situ.
Biosynthesis and Biological Activities of Newly Discovered Amaryllidaceae Alkaloids
Authors: Ka Seydou , Koirala Manoj , Mérindol Natacha , Desgagné-Penix Isabel
Published: October 2020

Alkaloids are an important group of specialized nitrogen metabolites with a wide range of biochemical and pharmacological effects. Since the first publication on lycorine in 1877, more than 650 alkaloids have been extracted from Amaryllidaceae bulbous plants and clustered together as the Amaryllidaceae alkaloids (AAs) family. AAs are specifically remarkable for their diverse pharmaceutical properties, as exemplified by the success of galantamine used to treat the symptoms of Alzheimer’s disease. This review addresses the isolation, biological, and structure activity of AAs discovered from January 2015 to August 2020, supporting their therapeutic interest.
Anti-Angiogenic Properties of Ginsenoside Rg3
Authors: Nakhjavani Maryam , Smith Eric , Townsend Amanda R. , Price Timothy J. , Hardingham Jennifer E.
Published: October 2020

Ginsenoside Rg3 (Rg3) is a member of the ginsenoside family of chemicals extracted from Panax ginseng. Like other ginsenosides, Rg3 has two epimers: 20(S)-ginsenoside Rg3 (SRg3) and 20(R)-ginsenoside Rg3 (RRg3). Rg3 is an intriguing molecule due to its anti-cancer properties. One facet of the anti-cancer properties of Rg3 is the anti-angiogenic action. This review describes the controversies on the effects and effective dose range of Rg3, summarizes the evidence on the efficacy of Rg3 on angiogenesis, and raises the possibility that Rg3 is a prodrug.
New Advances in the Synthetic Application of Enantiomeric 1-Phenylethylamine (α-PEA): Privileged Chiral Inducer and Auxiliary
Authors: Wosińska-Hrydczuk Marzena , Skarżewski Jacek
Published: October 2020

New developments in the synthesis, resolution, and synthetic applications of chiral 1-phenylethylamine (α-PEA) reported in the last decade have been reviewed. In particular, improvements in the synthesis of α-PEA and its derivatives and chiral resolution, as well as their applications in the resolution of other compounds, were discussed. α-PEA was used as a chiral auxiliary in the diastereoselective synthesis of medicinal substances and natural products. Chiral ligands with α-PEA moieties were applied in asymmetric reactions, and effective modular chiral organocatalysts were constructed with α-PEA fragments and used in important synthetic reactions.
Efficient Photocatalytic Hydrogen Evolution over TiO2-X Mesoporous Spheres-ZnO Nanorods Heterojunction
Authors: Zhang BingKe , Li Qi , Wang Dongbo , Wang Jinzhong , Jiang Baojiang , Jiao Shujie , Liu DongHao , Zeng Zhi , Zhao ChenChen , Liu YaXin , Xun ZhiKun , Fang Xuan , Gao ShiYong , Zhang Yong , Zhao LianCheng
Published: October 2020

Photocatalytic water splitting into hydrogen is regarded as one of the key solutions to the deterioration of the global environment and energy. Due to the significantly reduced grain boundaries, ZnO nanorods facilitate a fast electron transfer through their smooth tunnels and are well suited as a photocatalyst. However, the photocatalytic hydrogen evolution performance of pristine ZnO nanorods is still low due to the high recombination rate of photogenerated electron-hole pairs and the less light absorption. Here, a novel structure about black ZnO nanorods (NRs)/TiO2-X mesoporous spheres (MSs) heterojunction has been prepared and the photocatalytic hydrogen evolution performance has been explored. The photocatalytic activity test results showed that ZnO NRs/TiO2-X MSs exhibited higher catalytic activity than ZnO NRs for hydrogen production. Compared to the pure ZnO NRs photoanode, the photocurrent of ZnO NRs/TiO2-X MSs heterojunction photoanode could reach 0.41 mA/cm2 in view of the expanding spectral response region and effective inhibition of e−/h+ recombination at the same condition. Using a relatively integrated experimental investigation and mechanism analysis, we scrutinized that after being treated with NaBH4, TiO2 MSs introduce oxygen vacancies expanding the photocatalytic activity of pure TiO2, and improving conductivity and charge transport capabilities through coating on ZnO NRs. More importantly, the results provide a promising approach in the NRs/MSs composite structure serving as photoanodes for photocatalytic hydrogen production.
Effects of Chemical Compositions on Plating Characteristics of Alkaline Non-Cyanide Electrogalvanized Coatings
Authors: Wanotayan Thanyalux , Kantichaimongkol Pongsakorn , Chobaomsup Viriyah , Sattawitchayapit Sirikarn , Schmid Klaus , Metzner Martin , Chookajorn Tongjai , Boonyongmaneerat Yuttanant
Published: October 2020

The effects of zinc and sodium hydroxide concentrations in an alkaline non-cyanide zinc bath on the electrodeposition characteristics of zinc deposits are systematically investigated. Using microstructural and phase analyses of specimens with specifically designed geometries, the study indicates that the bath formulations critically control the electrogalvanizing characteristics and affect the coating surface morphology, deposition rate, throwing power, coating uniformity, and residual stresses developed during and after electrogalvanizing. The coatings produced from baths with a moderate Zn-to-NaOH ratio of 0.067–0.092 appear to provide uniform and compact deposits, moderately high deposition rate, and relatively low residual stresses.
Enhanced In Vitro Magnetic Cell Targeting of Doxorubicin-Loaded Magnetic Liposomes for Localized Cancer Therapy
Authors: Redolfi Riva Eugenio , Sinibaldi Edoardo , Grillone Agostina Francesca , Del Turco Serena , Mondini Alessio , Li Tianshu , Takeoka Shinji , Mattoli Virgilio
Published: October 2020

The lack of efficient targeting strategies poses significant limitations on the effectiveness of chemotherapeutic treatments. This issue also affects drug-loaded nanocarriers, reducing nanoparticles cancer cell uptake. We report on the fabrication and in vitro characterization of doxorubicin-loaded magnetic liposomes for localized treatment of liver malignancies. Colloidal stability, superparamagnetic behavior and efficient drug loading of our formulation were demonstrated. The application of an external magnetic field guaranteed enhanced nanocarriers cell uptake under cell medium flow in correspondence of a specific area, as we reported through in vitro investigation. A numerical model was used to validate experimental data of magnetic targeting, proving the possibility of accurately describing the targeting strategy and predict liposomes accumulation under different environmental conditions. Finally, in vitro studies on HepG2 cancer cells confirmed the cytotoxicity of drug-loaded magnetic liposomes, with cell viability reduction of about 50% and 80% after 24 h and 72 h of incubation, respectively. Conversely, plain nanocarriers showed no anti-proliferative effects, confirming the formulation safety. Overall, these results demonstrated significant targeting efficiency and anticancer activity of our nanocarriers and superparamagnetic nanoparticles entrapment could envision the theranostic potential of the formulation. The proposed magnetic targeting study could represent a valid tool for pre-clinical investigation regarding the effectiveness of magnetic drug targeting.
Association Between Diet Quality and Cardiorespiratory Fitness in Korean Adults: The 2014–2015 National Fitness Award Project
Authors: Seong Mingyeong , Kim Youjin , Park Saejong , Kim Hyesook , Kwon Oran
Published: October 2020

Cardiorespiratory fitness (CRF) is a strong and meaningful indicator for predicting mortality, including cardiovascular disease, as well as simple physical capacity. Healthy eating is thought to be one of the crucial factors associated with an individual’s CRF status, although little research has been done on the relationship between healthy eating and CRF. This study aimed to investigate the association between overall diet quality and CRF among Korean adults. The study involved 937 adults (380 men and 557 women) aged 19‒64 years who participated in the 2014‒2015 Korea Institute of Sports Science Fitness Standards project. Diet quality was assessed by the recommended food score (RFS), and CRF was determined by maximal oxygen uptake (VO2max) during a treadmill exercise test. Multiple regression model analyses were stratified by age (19–34, 35–49, and 50–64 years) and sex, because both factors greatly influence CRF. After multivariate adjustment, only the 19‒34 age group in both sexes showed a positive association between RFS and VO2max. Additionally, when physical activity was adjusted, it was still significant in men but only marginally related in women. Our results suggest that better overall diet quality may be associated with a better CRF among young adults aged 19‒34 years in Korea.
Associations of Early Parental Concerns and Feeding Behaviors with Child’s Diet Quality through Mid-Childhood
Authors: Gingras Véronique , Switkowski Karen M. , Rifas-Shiman Sheryl L. , Faleschini Sabrina , Oken Emily , Hivert Marie-France
Published: October 2020

Parental feeding practices have been associated with children’s dietary intakes, yet the directionality of these associations remains unclear. Among 1172 mother-child pairs from Project Viva, we aimed to examine associations of parental concerns and feeding behaviors at 2 years (behaviors dichotomized as yes vs. no), with diet quality (Youth Healthy Eating Index; YHEI) in early (mean 3.2, SD 0.3 years; n = 1076) and mid-childhood (mean 7.8, SD 0.7 years; n = 993). We used multivariable linear regression models adjusted for sociodemographic characteristics, parental body mass index (BMI), maternal diet quality in pregnancy, and child’s BMI z-score and diet quality at 2 years. Early parental concerns about their child becoming overweight (15%) was associated with lower YHEI (β −1.54 points; 95%CI −2.75, −0.33; fully adjusted model) in early childhood. Early parental concerns about their child becoming underweight (7%) was associated with lower YHEI (−2.19 points; −4.31, −0.07) in early childhood, but the association was attenuated after adjustment for child’s BMI z-score and diet quality at 2 years. We did not find associations of parental restrictive feeding (8%) and parental pressure to eat (47%) with child’s YHEI through mid-childhood. In conclusion, we found no evidence that early parental concerns and feeding behaviors independently contribute to child’s diet quality through childhood.
Exercise and Nutrition Interventions in Patients with Head and Neck Cancer during Curative Treatment: A Systematic Review and Meta-Analysis
Authors: Bye Asta , Sandmael Jon A. , Stene Guro B. , Thorsen Lene , Balstad Trude R. , Solheim Tora S. , Pripp Are Hugo , Oldervoll Line M.
Published: October 2020

The aim of this meta-analysis was to examine the effects of nutritional and physical exercise interventions and interventions combining these interventions during radiotherapy treatment for patients with head and neck cancer on body composition, objectively measured physical function and nutritional status. Systematic electronic searches were conducted in MEDLINE (PubMed interface), EMBASE (Ovid interface), CINAHL (EBSCO interface) and Cochrane Library (Wiley interface). We identified 13 randomized controlled trials (RCTs) that included 858 patients. For body composition, using only nutrition as intervention, a significant difference between treatment and control group were observed (SMD 0.42 (95CI 0.23–0.62), p < 0.001). Only pilot RCTs investigated combination treatment and no significant difference between the treatment and control groups were found (SMD 0.21 (95CI −0.16–0.58), p = 0.259). For physical function, a significant difference between treatment and control group with a better outcome for the treatment group were observed (SMD 0.78 (95CI 0.51–1.04), p < 0.001). No effects on nutritional status were found. This meta-analysis found significantly positive effects of nutrition and physical exercise interventions alone in favor of the treatment groups. No effects in studies with combined interventions were observed. Future full-scaled RCTs combining nutrition and physical exercise is warranted.
Dietary Options for Rodents in the Study of Obesity
Authors: Bastías-Pérez Marianela , Serra Dolors , Herrero Laura
Published: October 2020

Obesity and its associated metabolic diseases are currently a priority research area. The increase in global prevalence at different ages is having an enormous economic and health impact. Genetic and environmental factors play a crucial role in the development of obesity, and diet is one of the main factors that contributes directly to the obesogenic phenotype. Scientific evidence has shown that increased fat intake is associated with the increase in body weight that triggers obesity. Rodent animal models have been extremely useful in the study of obesity since weight gain can easily be induced with a high-fat diet. Here, we review the dietary patterns and physiological mechanisms involved in the dynamics of energy balance. We report the main dietary options for the study of obesity and the variables to consider in the use of a high-fat diet, and assess the progression of obesity and diet-induced thermogenesis.
Fusion of Dendritic Cells Activating Rv2299c Protein Enhances the Protective Immunity of Ag85B-ESAT6 Vaccine Candidate against Tuberculosis
Authors: Back Yong Woo , Bae Hyun Shik , Choi Han-Gyu , Binh Dang Thi , Son Yeo-Jin , Choi Seunga , Kim Hwa-Jung
Published: October 2020

In Mycobacterium tuberculosis infection, naïve T cells that encounter mycobacterial antigens through dendritic cells (DCs) induce various CD4+ T-cell responses; therefore, appropriate DC activation is the key for protective immunity against tuberculosis. We previously found that Rv2299c-matured DCs induce Th1 differentiation with bactericidal activity. In this study, to prove that Rv2299c could enhance the protective immunity of other vaccine candidates comprising T-cell-stimulating antigens, Ag85B-ESAT6, a well-known vaccine candidate, was selected as a fusion partner of Rv2299c. Recombinant Rv2299c-Ag85B-ESAT6 protein induced DC maturation and activation. Furthermore, fusion of Rv2299c enhanced the protective efficacy of the Ag85B-ESAT6 vaccine in a mouse model and significantly higher production of TNF-α and IL-2 was detected in the lungs, spleen, and lymph nodes of the group immunized with the Rv2299c-fused protein than with Ag85B-ESAT6. In addition, fusion of Rv2299c enhanced the Ag85B-ESAT6-mediated expansion of multifunctional CD4+ T cells. These data suggested that the DC-activating protein Rv2299c may potentiate the protective immunity of the vaccine candidate comprising T cell antigens.
Reversal of Ovarian Cancer Cell Lines Multidrug Resistance Phenotype by the Association of Apiole with Chemotherapies
Authors: Afonso de Lima Carolina , de Souza Bueno Ian Lucas , Nunes Siqueira Vasconcelos Stanley , Sciani Juliana Mozer , Ruiz Ana Lúcia Tasca Gois , Foglio Mary Ann , Carvalho João Ernesto de , Barbarini Longato Giovanna
Published: October 2020

Multidrug resistance (MDR) is the main obstacle in anticancer therapy. The use of drug combinations to circumvent tumor resistance is a well-established principle in the clinic. Among the therapeutic targets, glycoprotein-P (P-gp), an energy-dependent transmembrane efflux pump responsible for modulating MDR, is highlighted. Many pharmacological studies report the ability of calcium channel blockers to reverse tumor resistance to chemotherapy drugs. Isolated for the first time from parsley, the phenylpropanoid apiole is described as a potent calcium channel inhibitor. Taking this into account, herein, the ability of apiole to potentiate the action of well-established chemotherapeutics in the clinic, as well as the compound’s relationship with the reversal of the resistance phenomenon by blocking P-gp, is reported. The association of apiole with both chemotherapeutic drugs doxorubicin and vincristine resulted in synergistic effect, in a concentration-dependent manner, as evaluated by the concentration reduction index. Molecular docking analysis demonstrated the affinity between apiole and the active site of P-gp, corroborating the inhibitory effect. Moreover, apiole demonstrated druglikeness, according to ADME analysis. In conclusion, apiole possibly blocks the active P-gp site, with strong binding energy, which, in turn, inhibits doxorubicin and vincristine efflux, increasing the antiproliferative response of these chemotherapeutic agents.
S-Methyl-(2-Methoxycarbonylamino-Benzimidazole-5) Thiosulfonate as a Potential Antiparasitic Agent—Its Action on the Development of Ascaris suum Eggs In Vitro
Authors: Dmitryjuk Małgorzata , Szczotko Magdalena , Kubiak Katarzyna , Trojanowicz Radosław , Parashchyn Zhanna , Khomitska Halyna , Lubenets Vira
Published: October 2020

Ascaris suum is a soil-transmitted parasite causing ascariasis in pigs, largely limiting livestock production globally. Searching for new drugs affecting all stages of nematode development is necessary and widely postulated. The in vitro activity of S-methyl-(2-methoxycarbonylamino-benzoimidasole-5) thiosulfonate on A. suum developing eggs was studied. Five concentrations of the drug were used—0.625, 1.25, 2.5, 5 and 10 mM during 24, 48 and 72 h of exposure. After drug treatment, the eggs were washed and cultured in 0.05 M HCl at 27 °C for 20 days. Both the concentration and duration of the drug exposure had an inhibitory impact on the percentage of L2 larvae developed. The best effect was obtained after 72 h of incubation in 5 mM drug solution, only 1.9 ± 3.3% of the larvae developed to the L2 stage. Moreover, no SNP was detected at codon 167, which is correlated with benzimidazole resistance, in the tested samples. For the first time, it has been demonstrated that S-M-(2-MKA-BZ-5)TS seems to be a potential ovicidal anti-helminthic agent. It may lead to the elimination of parasites and reduce environmental contamination from roundworm eggs. The ovicidal effects of the drug should be additionally confirmed by further infection studies using experimental animals.
Mechanochemical Synthesis and Structure of the Tetrahydrate and Mesoporous Anhydrous Metforminium(2+)-N,N′-1,4-Phenylenedioxalamic Acid (1:2) Salt: The Role of Hydrogen Bonding and n→π * Charge Assisted Interactions
Authors: Chong-Canto Sayuri , García-Báez Efrén V. , Martínez-Martínez Francisco J. , Ramos-Organillo Angel A. , Padilla-Martínez Itzia I.
Published: October 2020

A new organic salt of metformin, an antidiabetic drug, and N,N′-(1,4-phenylene)dioxalamic acid, was mechanochemically synthesized, purified by crystallization from solution and characterized by single X-ray crystallography. The structure revealed a salt-type crystal hydrate composed of one dicationic metformin unit, two monoanionic units of the acid and four water molecules, namely H2Mf(HpOXA)2∙4H2O. X-ray powder, IR, 13C-CPMAS, thermal and BET adsorption–desorption analyses were performed to elucidate the structure of the molecular and supramolecular structure of the anhydrous microcrystalline mesoporous solid H2Mf(HpOXA)2. The results suggest that their structures, conformation and hydrogen bonding schemes are very similar. To the best of our knowledge, the selective formation of the monoanion HpOXA−, as well as its structure in the solid, is herein reported for the first time. Regular O(δ−)∙∙∙C(δ), O(δ−)∙∙∙N+ and bifacial O(δ−)∙∙∙C(δ)∙∙∙O(δ−) of n→π * charge-assisted interactions are herein described in H2MfA organic salts which could be responsible of the interactions of metformin in biologic systems. The results support the participation of n→π * charge-assisted interactions independently, and not just as a short contact imposed by the geometric constraint due to the hydrogen bonding patterns.