bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational functionality‐driven design of semiconductors for optoelectronic applications
Authors: Liu Zhun , Na Guangren , Tian Fuyu , Yu Liping , Li Jingbo , Zhang Lijun
Published: February 2020

The rapid development of the semiconductor industry has motivated researchers passion for accelerating the discovery of advanced optoelectronic materials. Computational functionality‐driven design is an emerging branch of material science that has become effective at making material predictions. By combining advanced solid‐state knowledge and high‐throughput first‐principles computational approaches with intelligent algorithms plus database development, experts can now efficiently explore many novel materials by taking advantage of the power of supercomputer architectures. Here, we discuss a set of typical design strategies that can be used to accelerate inorganic optoelectronic materials discovery from computer simulations: In silico computational screening; knowledge‐based inverse design; and algorithm‐based searching. A few representative examples in optoelectronic materials design are discussed to illustrate these computational functionality‐driven modalities. Challenges and prospects for the computational functionality‐driven design of materials are further highlighted at the end of the review.

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Screening procedure for 38 fentanyl analogues and five other new opioids in whole blood by liquid chromatography‐tandem mass spectrometry
Authors: Adamowicz Piotr , Bakhmut Zhanetta , Mikolajczyk Anna
Published: February 2020

In recent years, many new opioids, particularly fentanyl analogues, have appeared on the drug market. The extreme potency of even low doses of these compounds leads to numerous fatal poisonings. This also results in the fact that only sophisticated techniques are capable of detecting fentanyl analogues at concentrations that can be expected in blood. In this context, the purpose of this study was to develop a fast liquid chromatography‐tandem mass spectrometry screening method for the detection of fentanyl analogues, and other new synthetic opioid receptor agonists in whole blood. Blood samples were extracted with ethyl acetate under basic conditions. The separation was achieved with the gradient of the mobile phase composition and the gradient of the flow rate in 13 minutes. The detection of all compounds was based on dynamic multiple reaction monitoring. Most of the compounds were well differentiated by their retention times and/or transitions; however, separation of some isomers has not been achieved. The validation was performed for 21 compounds. The limits of detection were in the range 0.01‐0.20 ng/mL. The developed procedure enables simultaneous qualitative screening, detection and identification of 38 fentanyl analogues and five other new opioids. The method was implemented to analyze authentic samples (positive; n = 3) demonstrating its suitability for this application. The procedure can be easily expanded to include new emerging opioids, which is an indispensable advantage in the dynamically developing drug market. The developed protocol can be adopted for routine work in both forensic and clinical analytical laboratories worldwide.
Safety and Pharmacokinetics of DS‐1040 Drug‐Drug Interactions With Aspirin, Clopidogrel, and Enoxaparin
Authors: Limsakun Tharin , Dishy Victor , Mendell Jeanne , Pizzagalli Flavia , Pav Joseph , Kochan Jarema , Vandell Alexander G. , Rambaran Curtis , Kobayashi Fumiaki , Orihashi Yasushi , Warren Vance , McPhillips Penny , Zhou Jin
Published: February 2020

DS‐1040, a novel low‐molecular‐weight inhibitor of activated thrombin‐activatable fibrinolysis inhibitor, is under development for the treatment of thromboembolic diseases including venous thromboembolism and acute ischemic stroke. Here we describe the results of 3 studies that evaluated the safety and tolerability of DS‐1040 along with the effect on DS‐1040 pharmacokinetic (PK) parameters, when dosed alone or when coadministered with aspirin (NCT02071004), clopidogrel (NCT02560688), or enoxaparin in healthy subjects. Concomitant administration of single‐dose DS‐1040 with multiple‐dose aspirin, multiple‐dose clopidogrel, or single‐dose enoxaparin, consistent with clinically relevant dose regimens, was safe and well tolerated with no serious treatment‐emergent adverse events (TEAEs), TEAEs leading to discontinuation, bleeding‐related TEAEs, and no significant changes in coagulation parameters. DS‐1040 did not prolong bleeding time when administered concomitantly with aspirin or clopidogrel. In the aspirin study, DS‐1040 PK was evaluated following the concomitant administration with multiple‐dose aspirin, where the plasma DS‐1040 exposure (peak plasma concentration [Cmax] and area under the concentration‐time curve [AUCinf]) was to be similar to the data previously published in the first‐in‐human study of DS‐1040 in healthy subjects. The PK parameters of DS‐1040 coadministered with clopidogrel were similar to those of DS‐1040 alone, with small increases in geometric means for Cmax (7%) and AUClast (9%). When coadministered with enoxaparin, the PK parameters of DS‐1040 were not affected (1.1% and 1.5% decreases in geometric means for Cmax and AUClast, respectively). Therefore, concomitant administration of DS‐1040 and clopidogrel or enoxaparin did not demonstrate PK drug‐drug interactions.
Photocatalytic degradation of methylene blue by UV‐assistant TiO2 and natural sericite composites
Authors: Huang Chao‐Wei , Wu Min‐Chien
Published: February 2020

BACKGROUND

In order to prepare an environmental‐friendly photocatalyst, natural mineral sericite is used as the substrate of photocatalysts. In this study, the TiO2‐sericite composite materials are synthesized by a facile sol‐gel process, followed via a calcination treatment that can improve the crystallinity of the nano‐sized TiO2. The prepared composites are characterized by XRD, Raman, FTIR, UV‐vis, SEM, and BETanalysis. The effects of the molecular ratio of TiO2 to sericite and the calcination temperature are also examined.

RESULTS

Sericite is not only served as a substrate for nano‐sized TiO2 to fabricate the micro‐sized composite materials but also affect the formation of different crystalliniteTiO2. The characteristic results show that the addition of sericite can stabilize the crystal phase of TiO2; therefore, the sericite can maintain the crystalline anatase of TiO2 even after the calcination at 700 °C and 900 °C. Accordingly, the adsorption test and the photocatalytic degradation of methylene blue are conducted to verify the photocatalytic performance of the TiO2‐sericite composite materials. It indicates that the synergetic effect of TiO2‐sericite composites can facilitate the photocatalytic degradation of TiO2 accompanied by the initial adsorption of methylene blue by sericite. Based on the presence of various radicals, including ·OH, ·O2−, and 1O2, the mechanism of photocatalytic degradation of methylene blue via TiO2‐sericite composites are successfully proposed.

CONCLUSION

The excellent activity reveals that TiO2‐sericite composites are with potential employed as ecological‐friendly photocatalysts in the degradation of pollutants. © 2020 Society of Chemical Industry
Beyond circles and squares: A commentary on updating pedigree nomenclature to better represent patient diversity
Authors: Tuite Allysa , Dalla Piazza Michelle , Brandi Kristyn , Pletcher Beth A.
Published: February 2020

With changes in our understanding of gender identity and disorders of sex differentiation (DSDs), as well as a need to promote medical care that appropriately reflects the intersectional personal identities of patients with respect to sex and gender, we explored possible modifications of pedigree nomenclature to better represent such patient diversity. There are currently no widely accepted standard symbols to simultaneously represent both gender identity and assigned sex at birth within a pedigree. Previous studies assessing perspectives from members of the transgender and gender non‐binary (TGNB) community have highlighted the need for a unique symbol to represent non‐binary individuals and better ways to represent core gender identities for gender minorities such as transgender individuals. In our experience we have encountered similar dilemmas with documentation for individuals with DSDs in terms of a lack of unequivocal symbolic representation within the pedigree. Here we propose three distinct symbols for gender identity combined with superscript symbols to represent sex assigned at birth, which we think may unequivocally represent TGNB individuals and patients with DSDs. It is clear that further research is needed to ensure that any proposed changes are acceptable by and respectful of all patients regardless of their gender identity and assigned sex at birth. We hope that further research will include focus groups and surveys to get broader input from gender minority stakeholders so that new standards can be developed and modified as we strive to meet the needs of our increasingly diverse patient population.
Phosphorus application alters concentrations and proportions of organic Se forms in the grain of winter wheat
Authors: Nie Zhaojun , Zhu Jiaojiao , Li Jinfeng , Liu Hongen , Zhao Peng , Gao Wei , Qin Shiyu , Li Chang , Zhang Wenwen , Sui Fuqing
Published: February 2020

A deficiency or excess of selenium (Se) can cause disease in the human body, and the dietary intake of organic forms of Se is considered the preferable way to satisfy the Se demand in humans. P application decreases Se uptake and thus also Se concentrations in grains of crops, but little is known about how the P application level may affect the organic forms of Se in the grain of winter wheat. A pot trial with three P levels (0, 80, and 160 mg P kg−1 soil) and three Se levels (0, 0.5, and 1 mg Se kg−1 soil) was conducted to investigate the effect of P application on inorganic and organic Se forms, Se bound to protein, polysaccharide, and nucleic acid as well as Se in different protein fractions in the grain of winter wheat. Overall, the concentrations of total Se, and of Se in all analyzed forms, increased with increasing Se application regardless of the rate of P application. In the absence of Se, P application did not have a significant effect on the concentrations of any of the measured Se forms. However, in the presence of Se, increasing P application significantly decreased the concentration of Se of each form. The different rates of P and Se application influenced the proportion of each form of Se in different ways. Increasing levels of P application decreased the concentration of each form of Se in the grain of winter wheat, most likely by a combination of a dilution effect due to enhanced grain yield, and an inhibited Se uptake. Despite an overall decrease in grain Se‐protein, P application might improve the quality of wheat flour by enhancing the accumulation of Se in organic forms such as Se‐nucleic acids and Se‐polysaccharides, as well as the Se in the gliadin and glutenin fractions in the grain.
The effect of single CNTs/GNPs and complexes on promoting the interfacial catalytic activity of lipase in conventional emulsions
Authors: Kuang Lei , Liu Mengjie , Lin Zefeng , Zhu Yunping , Li Jinlong
Published: February 2020

BACKGROUND

The interfacial activation mechanism of lipase enables it to exhibit high catalytic activity in water‐in‐oil (W/O) microemulsions. However, W/O microemulsions have obvious defects such as a small water pool and a large demand for surfactants. The present study investigated the substitutability of conventional oil‐in‐water (O/W) and W/O emulsions as lipase catalytic systems. Carbon nanotubes (CNTs)/gold nanoparticles (GNPs) or CNT–GNP electrostatically bonded complexes were added into the conventional emulsion system.

RESULTS

The simulated biphasic system and fluorescence study showed different and even contradictory results for the interfacial behavior of CNTs and CNT–GNP complexes due to the variation of the dispersibility of CNTs in cetyltrimethylammonium bromide (CTAB). Results also showed that conventional O/W emulsions were more suitable for lipase catalysis than conventional W/O emulsions. When CNTs or CNTCATB–GNP complexes were added in a conventional O/W emulsion system, the catalytic activity of lipase was significantly promoted (up to 4.8‐fold using CNTs and 3.5‐fold using CNTCATB–GNP complexes compared with free lipase).

CONCLUSIONS

The possible reason for this promotion may be due to the increase in the interface area. The current study was not only the latest exploration of lipase activity promotion via nanomaterials, but also explored a new lipase catalytic system and provides further insight into improving the catalytic performance of lipase in conventional emulsions. © 2020 Society of Chemical Industry
Functions of noncommuting operators under perturbation of class Sp
Authors: Aleksandrov A. B. , Peller V. V.
Published: February 2020

In this article we prove that for , there exist pairs of self‐adjoint operators and and a function f on the real line in the homogeneous Besov class such that the differences and belong to the Schatten–von Neumann class Sp but . A similar result holds for functions of contractions. We also obtain an analog of this result in the case of triples of self‐adjoint operators for any .
Highly efficient iterative methods for solving linear equations of three‐dimensional sphere discontinuous deformation analysis
Authors: Huang Gang‐Hai , Xu Yuan‐Zhen , Yi Xiong‐Wei , Xia Ming , Jiao Yu‐Yong , Zhang Shu
Published: February 2020

The efficiency of solving equations plays an important role in implicit‐scheme discontinuous deformation analysis (DDA). A systematic investigation of six iterative methods, namely, symmetric successive over relaxation (SSOR), Jacobi (J), conjugate gradient (CG), and three preconditioned CG methods (ie, J‐PCG, block J‐PCG [BJ‐PCG], and SSOR‐PCG), for solving equations in three‐dimensional sphere DDA (SDDA) is conducted in this paper. Firstly, simultaneous equations of the SDDA and iterative formats of the six solvers are presented. Secondly, serial and OpenMP‐based parallel computing numerical tests are done on a 16‐core PC, the result of which shows that (a) for serial computing, the efficiency of the solvers is in this order: SSOR‐PCG > BJ‐PCG > J‐PCG > SSOR>J > CG, while for parallel computing, BJ‐PCG is the best solver; and (b) CG is not only the most sensitive to the ill‐condition of the equations but also the most time consuming under both serial and parallel computing. Thirdly, to estimate the effects of equation solvers acting on SDDA computations, an application example with 10 000 spheres and 200 000 calculation steps is simulated on this 16‐core PC using serial and parallel computing. The result shows that SSOR‐PCG is about six times faster than CG for serial computing, while BJ‐PCG is about four times faster than CG for parallel computing. On the other hand, the whole computation time using BJ‐PCG for parallel computing is 3.37 hours (ie, 0.061 s per step), which is about 36 times faster than CG for serial computing. Finally, some suggestions are given based on this investigation result.
Robust adaptive control of robot manipulators using Bernstein polynomials as universal approximator
Authors: Izadbakhsh Alireza , Khorashadizadeh Saeed
Published: February 2020

This article presents a robust adaptive controller for electrically driven robots using Bernstein polynomials as universal approximator. The lumped uncertainties including unmodeled dynamics, external disturbances, and nonimplemented control signals (they assumed as a function of time, instead a function of several variables) are represented with this powerful mathematical tool. The polynomial coefficients are then tuned based on the adaptation law obtained in the stability analysis. A comprehensive approach is adopted to include the saturated and unsaturated areas and also the transition between these areas in the stability analysis. As a result, the stability and the performance of the proposed controller have been improved considerably in dealing with actuator saturation. Also, in comparison with a recent paper based on uncertainty estimation using Taylor series, the proposed controller is less computational due to reducing the size of the matrix of convergence rate. A performance evaluation has been carried out to verify satisfactory performance of transient response of the controller. Simulation results on a Puma560 manipulator actuated by geared permanent magnet dc motors have been presented to guarantee its satisfactory performance.
Manipulating the Ge Vacancies and Ge Precipitates through Cr Doping for Realizing the High‐Performance GeTe Thermoelectric Material
Authors: Shuai Jing , Sun Yang , Tan Xiaojian , Mori Takao
Published: February 2020

GeTe alloy is a promising medium‐temperature thermoelectric material but with highly intrinsic hole carrier concentration by thermodynamics, making this system to be intrinsically off‐stoichiometric with Ge vacancies and Ge precipitations. Generally, an intentional increase of formation energy of Ge vacancy by element substitution will lead to an effective dissolution of Ge precipitates for reduction in hole concentration. Here, an opposite direction of decreasing the formation energy of Ge vacancies is demonstrated by substituting Cr at Ge site. This strategy produces more but nearly homogenously distributed Ge precipitations and Ge vacancies, which provides enhanced phonon scattering and effectively reduces the lattice thermal conductivity. Furthermore, Cr atom carries one more electron than Ge and serves as an electron donor for decreasing the hole carrier concentrations. Further optimization incorporates the effect of Bi substitution for facilitating band convergence. A maximum figure of merit (ZT) of 2.0 at 600 K with average ZT of over 1.2 is achieved in the sample of Ge0.92Cr0.03Bi0.05Te, making it one of the best thermoelectric materials for medium‐temperature application.
In vitro cytotoxicity of a series of cis‐platinum(II) complexes bearing piperidine
Authors: Chi Nguyen Thi Thanh , Mai Truong Thi Cam
Published: February 2020

In vitro cytotoxicity of a series of complexes cis‐[PtCl2(piperidine)(L)] complexes (L: another amine or olefin) and cisplatin against four human cancer cell lines Hep‐G2, RD, MCF7 and Fl has been evaluated. The results show that most of these complexes exhibit inhibiting abilities on 1‐3 tested cancer cell lines (Hep‐G2, RD, Fl) with IC50 values ranged from 1.70 to 9.41 μg/mL, which are lower than that of the referenced cisplatin.
Hydrogen evolution reaction on NiCu electrodeposited electrodes in 6.0 M KOH
Authors: Van Vy Uong , Que Le Xuan
Published: February 2020

This article presents research of the hydrogen evolution reaction on the NiCu electrodeposited electrodes in 6.0 M KOH solution. Alloy electrodes were deposited on copper substrate in solution containing citrate ions by potentiostatic technique. The influence of the alloying component on the catalytic activity of the electrodes was investigated by cyclicvoltametry (CV) and potentiostatic (PS) techniques. The results show that the hydrogen evolution reaction on the NiCu alloy electrodes in the alkaline solution occurred at voltage of ‐1 V/SCE with very low current density, and significantly increased only when the negative voltage was more negative than ‐1.3 V/SCE. The exchange current density iex decreased as the copper content in the alloy increased, but the rate decreased unevenly. At ‐1.6 V/SCE, the stabilized cathodic current density on the 58.3 % Cu electrode reached the highest value of about 40 mA/cm2, and is 2 to 3 times higher than that of Ni‐plated electrode.
Chemical constitutents from fruits of Macaranga denticulata (Euphorbiaceae) (Part 2)
Authors: Vu Le Tran Nguyen , Ngan Truong Bich , Phuong LeThi , Huong Doan Thi Mai , Litaudon Marc , Van Hung Nguyen , Thach Tran Dang , Van Cuong Pham
Published: February 2020

Macaranga denticulata is a 15‐18 m tall plant with rounded edges and long, rounded bark, 5 mm wide black covered with glands. In traditional medicine, this plant was used to treat fulminant hepatitis, dysentery, and urinary retention. In previous studies, we reported 13 isolated compounds from the fruits of Macaranga denticulata. This work presented the isolation and structural characterizations of seven compounds: 5‐((E)‐3,5‐dihydroxystyryl)‐3‐((E)‐3,7‐dimethylocta‐2,6‐dien‐1‐yl)benzen‐1,2‐diol (1), poilaneic acid (2), stigmast‐4‐en‐6β‐ol‐3‐one (3), epi‐taraxerol (4), rel‐5‐(3S,8S‐dihydroxy‐1R,5S‐dimethyl‐7‐oxa‐6‐oxobicyclo[3,2,1]‐oct‐8‐yl)3‐methyl, 2Z,4E‐pentadienoic acid (5), ellagic acid 3,3'‐dimethyl ether‐4‐O‐β‐D‐glucopyranoside (6), 3‐hydroxypropanoic acid (7). The structures of the isolated compounds were elucidated from their mass and NMR spectral data.
Quantitative concentration determination of silver nanoparticles prepared by DC high voltage electrochemical method
Authors: Hung Nguyen Duc , Nam Vu Nang , ThiNhan Tran , Dung Tran Thi Ngoc
Published: February 2020

Silver nanoparticles (AgNPs) were prepared by DC high voltage electrochemical method using a silver anode. The results showed that, for all prepared samples, depending on the size and shape of their nanoparticles, a well‐defined UV‐Vis peak in aqueous solution induced by the surface Plasmon property of AgNPs was observed at wavelength values in the range of 400‐450 nm. Based on the linear dependence between AgNPs concentration and UV‐Vis absorbance up to 200 ppm with the R value of 0.9989, the concentration of AgNPs can be derived quantitatively. Thus, this study introduced a simple quantitative method to determine the concentration of silver nanoparticles directly, instead of the total ionic silver that other chemical, biological or physical methods usually provided.
Characterization of hydroxyapatite/carbon nanotubes coatings on Ti6Al4V
Authors: Thom Nguyen Thi , Nam Pham Thi , Van Trang Nguyen , Anh Nguyen Tuan , Dung Pham Tien , Thanh Dinh Thi Mai
Published: February 2020

Carbon nanotubes (CNTs) possess excellent mechanical properties for their role playing in reinforcement as imparting strength to hydroxyapatite (HAp) coating. This work reports the electrodeposition of HAp/CNTs coatings on Ti6Al4V substrate at scanning potentials range of 0÷‐2.0 V/SCE, 5 mV/s, 5 scans at 45°C with the different functionalized CNTs concentration. The characterizations of the coatings were investigated. The amount of functionalized CNTs was determined using thermal gravimetric analysis. The X‐ray diffraction results showed that HAp/CNTs nanocomposite coatings were composed of HAp and CNTs. The diffraction peak with the highest intensity found at 2θ about 32o corresponding to the (2 1 1) HAp crystal and the peak at 26.3o can be assigned to (0 0 2) plane of CNTs. The HRTEM image confirmed the presence of CNTs in the coatings and CNTs amount of 7.25 % by TGA result.
Triterpene tetraglycosides from the Vietnamese sea cucumber Holothuria impatiens
Authors: Vien Le Thi , Hanh Tran Thi Hong , Huong Phan Thi Thanh , Van Thanh Nguyen , Cuong Nguyen Xuan , Nam Nguyen Hoai , Thung Do Cong
Published: February 2020

Four triterpene tetraglycosides were isolated from a methanol extract of the Vietnamese sea cucumber Holothuria impatiens by various chromatographic separations. Their structures were elucidated as 25‐hydroxy fuscocineroside B (1), fuscocineroside B (2), pervicoside C (3), and holothurin A (4) by using extensive NMR spectroscopic analysis as well as comparison of the NMR and MS data with those reported. This is the first report of 1 and 2 from H. impatiens.
Chemical constituents from fruits of Macaranga denticulata (Euphorbiaceae) (Part 2)
Authors: Vu Le Tran Nguyen , Ngan Truong Bich , Phuong Le Thi , Huong Doan Thi Mai , Litaudon Marc , Van Hung Nguyen , Thach Tran Dang , Van Cuong Pham
Published: February 2020

Macaranga denticulata is a 15‐18 m tall plant with rounded edges and long, rounded bark, 5 mm wide black covered with glands. In traditional medicine, this plant was used to treat fulminant hepatitis, dysentery, and urinary retention. In previous studies, we reported 13 isolated compounds from the fruits of Macaranga denticulata. In this study, we describe the isolation and structural characterizations of seven compounds: 5‐((E)‐3,5‐dihydroxystyryl)‐3‐((E)‐3,7‐dimethylocta‐2,6‐dien‐1‐yl)benzen‐1,2‐diol (1), poilaneic acid (2), stigmast‐4‐en‐6β‐ol‐3‐one (3), taraxerol (4), rel‐5‐(3S, 8S‐dihydroxy‐1R,5S‐dimethyl‐7‐oxa‐6‐oxobicyclo[3,2,1]‐oct‐8‐yl)3‐methyl, 2Z,4E‐pentadienoic acid (5), ellagic acid 3,3'‐dimethyl ether‐4‐O‐β‐D‐glucopyranoside (6), 3‐hydroxypropanoic acid (7). The structures of the isolated compounds were established on the basis of their spectral data, including mass and NMR spectrometry.
Synthesis and characterization of Fe3O4/GO nanocomposite for drug carrier
Authors: Hanh Nguyen Thi , Xuyen Nguyen Thi , Thuy Tran Thi Thanh
Published: February 2020

A magnetite‐graphene oxide nanocomposite for biological applications was successfully synthesized. The nanocomposite composed of nanosized superparamagnetic iron oxide nanoparticles (SPIONs), graphene oxide (GO) and matodextrin as a biocompatible polymer matrix. Structural and physico‐chemical properties of the nanocomposite were analyzed by XRD, FT‐IR, TEM and vibrating sample magnetometer (VSM). TEM images showed that SPIONs had an average diameter size of about 10 nm and VSM results showed superparamagnetic behavior. SPIONs was well dispersed in the presence of GO and maltodextrin. Drug loading and drug release tests showed high loading efficiency of rutin onto SPIONs/GO and quite fast release of rutin in PBS solution at pH value of 7.4.
Flavonol glycosides from Phoebe poilanei Kosterm
Authors: Viet Thanh Nguyen Thi , Thu Hien Dinh Thi , Minh Tran Thi , Nhiem Nguyen Xuan , Yen Pham Hai , Van Kiem Phan
Published: February 2020

Six flavonol glycosides, kaempferol 3‐O‐[β‐D‐xylopyranosyl‐(1 → 6)‐β‐D‐glucopyranoside] (1), kaempferol 3‐O‐β‐D‐glucopyranoside (2), kaempferol 3‐O‐[α‐L‐rhamnopyranosyl‐(1 → 2)‐β‐D‐glucopyranoside] (3), kaempferol 3‐O‐[α‐L‐rhamnopyranosyl‐(1 → 6)‐β‐D‐glucopyranoside] (4), kaempferol 3‐O‐[α‐L‐rhamnopyranosyl‐(1 → 6)‐β‐D‐galactopyranoside] (5), and rhamnocitrin 3‐O‐α‐L‐rhamnopyranosyl‐(1 → 6)‐[α‐L‐rhamnopyranosyl‐(1 → 2)]‐β‐D‐galactopyranoside (oxytroflavoside G) (6) were isolated from the leaves of Phoebe poilanei Kosterm. Their chemical structures were elucidated by analyses of their ESI‐MS, NMR spectral data, and comparison with those reported in the literature. This is the first report of 13C‐NMR data of compound 1.
An attempt to use pencil leads as cheap materials for electrochemical sensor
Authors: Dang Vu Hai , Anh Nguyen Hoang , Yen Pham Thi Hai , Giao Nguyen Quynh , Ha Vu Thi Thu
Published: February 2020

Due to their electrochemical and economical characteristics, pencil leads can be used as electrodes for electrochemical analysis. These graphite‐based electrodes are recognized by their low‐cost and commercial availability. This paper presents the synthesis of gold nanodendrite network porous structure on pencil lead and its application in recording signals of Hg(II) in water environment. Influences of deposition time (tdep) used to fabricate Au nanodendrite structure on electrodes surface, sensor electrochemical behaviors and voltammetric signal of Hg(II) have been studied. The obtained results open a possibility to employ this simple, eco‐friendly material in developing electrochemical sensor, which can be implemented for heavy metal detection.
Insights into the adsorption of organic molecules on rutile TiO2 (1 1 0) surface: A theoretical study
Authors: Tri Nguyen Ngoc , Dai Ho Quoc , Trung Nguyen Tien
Published: February 2020

We investigated the adsorption of formic, acetic, benzoic acids, phenol, nitrobenzene molecules on rutile‐TiO2 (1 1 0) surface using the density functional theory (DFT) calculations. Details of the interaction between the investigated molecules and rutile‐TiO2 (1 1 0) surface were thoroughly considered by using the charge transfer and atoms in molecules analyses. The most stable configurations have been found upon adsorption of these molecules on TiO2 surface by employing the Perdew‐Burke‐Ernzerhof (PBE) functional and projector‐augmented wave method approach and utilizing the periodic slab model. The adsorption processes are determined to be strong chemisorptions, characterized by high adsorption energies in the range of ‐18.5 to ‐28.8 kcal.mol‐1. Stability of the adsorption configurations is significantly contributed by attractive Ti∙∙∙O electrostatic interaction and O‐H∙∙∙O strong hydrogen bond. The interactions between the adsorbed molecules on the rutile‐TiO2 (1 1 0) surface are stronger for the >COOH groups than for–OH or –NO2 groups. The results show that the TiO2‐rutile is regarded as a potential adsorption material and an efficient photocatalyst for removal of these organic compounds.
Influence of Darocur 1173 photoinitiator on the photocrosslinking and properties of UV‐cured coatings based on an epoxidiacrylate oligomer and hexanediol diacrylate monomer
Authors: Hien Le Xuan , Thanh Do Minh , Tai Nguyen Huu
Published: February 2020

The influence of Darocur 1173 (D.1173) photoinitiator content on the photocrosslinking of the coatings based on an epoxy diacrylate oligomer (EDA), hexanediol diacrylate monomer (HDDA) and properties of UV cured coatings have been studied. The fast conversion of acrylate groups and UV crosslinking of the coatings were shown by IR‐spectroscopy analysis and gel fraction determination, respectively. It was found that there was an optimal relationship between conversion of acrylate groups, as well as the hardening rate of the coatings and contents of D.1173, ranging from 0 to 2 % of total amount of EDA and HDDA, under UV exposure. The optimal content of D.1173 was determined to be 1 % and the UV curing of the coating having the weight ratio of the constituents EDA/HDDA/D.1173 = 50/50/1 occurred very fast, leading to formation of a high performance UV cured coating which can be used in different sectors of applications as decorative, protective coatings or adhesives.
Ionic liquids assisted desulfurization and denitrogenation of fuels
Authors: Zolotareva Darya , Zazybin Alexey , Rafikova Khadichakhan , Dembitsky Valery M. , Dauletbakov Anuar , Yu Valentina
Published: February 2020

In this article the regulations and policy about S‐ and N‐containing compounds in fuels, the general information about methods of desulfurization (DS) and denitrogenation (DN) and ionic liquids (ILs) assisted DS and DN are considered. We presented the most effective and novel methods of sulfur and nitrogen compounds removal using ILs from model and real fuels.
Inhibitory Selaginellins from Selaginella tamariscina against LPS‐induced NO production in RAW264.7 cells
Authors: Tuan Nguyen Dinh , Thuy Do Thi , Quan Pham Minh , Hung Nguyen Phi
Published: February 2020

Three selaginellins have been isolated and structurally identified as selaginellin (1), selaginellin M (2), and selariscinin B (3) from Selaginella tamariscina, by interpretation of spectroscopic (1H, 13C NMR and MS) data and comparing with literatures. Compounds 1‐3 exhibited potential inhibition on lipopolysaccharide‐induced nitric oxide (NO) production in RAW 264.7 cells with IC50 values of 21.0 ± 1.2, 4.5 ± 0.6, and 18.1 ± 0.9 μM, respectively. Celastrol was used as positive control showing an IC50 value of 1.0 ± 0.1 μM. This obtained data reveals the potential of these selaginellin type compounds in the development of anti‐inflammatory agents from medicinal plants.
Formation of nanoemulsion from black pepper essential oil by high speed homogenization method
Authors: Hien Ly Thi Minh , Dao Dong Thi Anh
Published: February 2020

As many spices essential oil, black pepper (Piper nigrum) oil, which produced by steam distillation has shown the antimicrobial activity in many researches. However, essential oil was often hydrophobic and dispersed incompletely in food matrix. In our work, an oil‐in‐water nanoemulsion of black pepper oil was prepared by high speed homogenization method. In order to well disperse essential oil in water, the surfactant polyoxyethylene sorbitan monooleate (Tween 80) was utilized with the surfactant:oil ratios from 1:3 to 2:1. The other component of the nanoemulsion was soya oil, the high chain triglycerides in soya oil prevented the Oswald ripening of essential oil droplets by increasing their hydrophobicity. After changing the component concentration, the nanoemulsion was the most stable with 20 % oil phase, 6:4 pepper oil ‐ soya oil ratio and 1:1 surfactant oil ratio. At 9,000 rpm and 30 minutes stirring, the average droplet size was 61.9 nm with 0.462 PdI (polydispersity index). After 30‐day storage, the particle size increased to 87 nm at ambient temperature and 130 nm at 5°C.
Synthesis, characterization and luminescence properties of ZrBDC:Eu3+,Tb3+ nanoscaled metal organic frameworks
Authors: Giang Lam Thi Kieu , Agnieszka Opalińska , Marciniak Łukasz , Tien Dinh Manh , Linh Pham Hoai , Binh Pham Thanh , Vu Nguyen , Binh Nguyen Thanh , Minh Le Quoc
Published: February 2020

Zirconium nanoscaled metal–organic frameworks doped and co‐doped with Eu3+ and/or Tb3+ (ZrBDC:Eu3+,Tb3+) have been synthesized by hydrothermal method using 1,4‐dicarboxylic acid as linkers. The luminescence spectra obtained indicated that under 254 nm excitation, the as‐synthesized ZrBDC:Eu3+,Tb3+ and ZrO2:Eu3+,Tb3+ nanoparticles have multicolour visible emissions at 473, 591, 612 and 701 nm assigned to the 5D0 → 7F1, 5D0 → 7F2, 5D0 → 7F3 and 5D0 → 7F4 transition of Eu3+ ions and at 488, 582 and 621 nm assigned to 5D4 → 7F, 5D4 → 7F5; 5D4 → 7F4 and 5D4 → 7F3 transitions of Tb3+ ions, respectively. The X‐ray diffraction and field emission scanning electron microscopy results suggest that the ZrBDC:Eu3+,Tb3+ nanoscaled metal–organic frameworks can be used as precursors to design the tetragonal phase of ZrO2:Eu3+,Tb3+ nanoparticles with high purity and a narrow size distribution via heat treatment process. The as‐prepared ZrO2:Eu3+,Tb3+ nanoparticles have size of about 10‐15 nm with BET multipoint surface area of 162 m2/g.
Stability and semi‐conductive property of some derivatives of mono‐and di‐silole: A theoretical study
Authors: Van Trang Nguyen , Dung Tran Ngoc , Thoa Tran Thi , Thanh Dinh Thi Mai , Hue Nguyen Thi Minh
Published: February 2020

Forty – two derivatives of mono‐ and di‐ siloles have been studied by the density functional theory (DFT). The substituents consist of the electron donating groups (methyl, ethyl) and withdrawing groups (F, Cl, Br). The obtained calculations agree well with the experiment (the largest deviation of 1.59 % of the experimental value). Besides, the result also showed that the attachment of the substituents enhances the semi‐conductive properties of the derivatives. In addition, effects of the electron withdrawing groups on the stability and semi‐conductivity are better than these of the electron donating groups. Interestingly, the Br‐substituent occupies the most outstanding position.
Flavonol glycosides and dammarane saponin from Gouania leptostachya
Authors: Thuy Nguyen Thi Kim , Trang Do Thi , Trang Mai Thi Nhu , Bay Ninh Khac , Tai Bui Huu , Van Kiem Phan , Yen Pham Hai , Nhiem Nguyen Xuan
Published: February 2020

Using combined chromatographic methods, two flavonol glycosides and one dammarane‐type saponin were isolated from the methanol extract of the leaves of Gouania leptostachya. Their structures were elucidated to be quercetin 3‐O‐β‐D‐xylopyranosyl‐(1 → 2)‐α‐L‐rhamnopyranoside (1), quercetin 3‐O‐6‐E‐p‐coumaroyl‐β‐D‐glucopyranosyl‐(1 → 2)‐α‐L‐rhamnopyranoside (2) and joazeiroside A (3) by 1D‐, 2D‐NMR, and MS spectra and in comparison with those reported in the literature. These compounds have been reported from the Gouania genus for the first time.
Diagnostik und Therapie des Morbus Perthes
Authors: Strobl Walter Michael
Published: February 2020

Die Behandlung des M. Perthes stellt aufgrund der ungeklärten Ätiologie sowie der unterschiedlichen Verlaufsformen und Behandlungskonzepte eine Herausforderung dar. Die Prognose ist abhängig von klinischen und radiologischen Parametern. Aktuelle Behandlungsansätze zielen in frühen Krankheitsstadien auf die Verbesserung der Durchblutung des Femurkopfes und später auf die Vergrößerung des Bewegungsumfangs sowie die Verminderung der vertikal einwirkenden Kräfte durch Teilentlastung und chirurgisch verbesserte Einstellung des Femurkopfes in der Gelenkpfanne ab. Da einerseits ein hoher Prozentsatz an Spontanremissionen ohne Deformitäten des Gelenks, andererseits ein hohes Risiko für eine schwere Koxarthrose mit der Notwendigkeit eines frühen Gelenkersatzes sowohl nach konservativen als auch nach operativen Verfahren zu beobachten sind, werden die Behandlungsmethoden kontrovers diskutiert.
Correction to: Non-tropical Cyclone Related Winter Heavy Rainfall Events over the Philippines: Climatology and Mechanisms
Authors: Olaguera Lyndon Mark , Matsumoto Jun , Dado Julie Mae B. , Narisma Gemma Teresa T.
Published: February 2020

The article "Non-tropical Cyclone Related Winter Heavy Rainfall Events over the Philippines: Climatology and Mechanisms", written by Lyndon Mark Olaguera, Jun Matsumoto, Julie Mae B. Dado and Gemma Teresa T. Narisma, was originally published electronically on the publisher’s internet portal on 02 January 2020 without open access.
Novel chloroquine loaded curcumin based anionic linear globular dendrimer G2: a metabolomics study on Plasmodium falciparum in vitro using 1H NMR spectroscopy
Authors: Elmi Taher , Shafiee Ardestani Mehdi , Hajialiani Fateme , Motevalian Manijeh , Mohamadi Maryam , Sadeghi Sedigheh , Zamani Zahra , Tabatabaie Fatemeh
Published: February 2020

Due to side-effects and inefficiency of the drugs used in malaria treatment, finding alternative medicine with less side-effects has attracted much attention. In this regard, in the present study, nanocomposite synthesized and its effects on the metabolites of P. falciparum were investigated. Subsequent to synthesis of nanocomposites, characterization was carried out using nuclear magnetic resonance (NMR), liquid chromatography-mass spectrometry (LC-MS), scanning electron microscopy, dynamic light scattering and Fourier-transform infrared tests. Solubility and drug release were measured and its toxicity on Vero cell was assessed using the MTT assay. The antiparasitic effect of the nanocomposite on the metabolites of P. falciparum was investigated by 1H NMR spectroscopy. Among synthesized nanocomposites, the average size of 239 nm showed suitable solubility in water as well as slow drug release. The MTT assay showed no toxicity for Vero cell lines. Concentrations of 2.5 μg mL−1 of nanocomposite eliminated 82.6% of the total parasites. The most effected metabolic cycles were glyoxylate and dicarboxylate metabolism. In this study, 1H NMR spectroscopy was used with untargeted metabolomics to study the effect of the nanocomposite on P. falciparum. Playing an essential role in understanding drug-target interactions and characterization of mechanism of action or resistance exhibited by novel antiprotozoal drugs, can be achieved by targeting metabolic using LC-MS.
Salt, sediments and weathering environments in Bunger Hills
Authors: Gore Damian B. , Leishman Michelle R.
Published: February 2020

Terrestrial environments at Bunger Hills, East Antarctica, vary from vegetation-rich, little-weathered rock surfaces retaining glacial polish and striations near the glacier and ice-sheet margins to salty, vegetation-poor, extensively weathered regions near to and downwind of marine bays and inlets. Weathering forms include tafoni and orientated pits, which record former wind directions. Although salts are found all over Bunger Hills, the strongly weathered area is coincident with the distribution of halite (NaCl) and thenardite (Na2SO4), both of which are derived from seawater and marine salt spray. Salts elsewhere in Bunger Hills are either subglacial calcium carbonates or rock weathering products including gypsum (CaSO4⋅2H2O) and a range of rarer minerals. These other salt minerals do not weather rocks and sediment. The distribution of halite and thenardite acts as a major control on the geomorphology, sediment geochemistry and biogeography of Bunger Hills.
N-terminal pro-B-type natriuretic peptide levels in children: comparison in cardiac and non-cardiac diseases
Authors: Kim Hyun Su , Choi Hee Joung
Published: February 2020

Background:

N-terminal pro-B-type natriuretic peptide (NT-proBNP), a well-known marker of cardiac disease, may be elevated in acute infections and other non-cardiac diseases. The aim of this study was to evaluate NT-proBNP levels in cardiac and non-cardiac diseases and found out the patient’s clinical status that affects the NT-proBNP levels.

Methods:

NT-proBNP levels were measured in three groups of children: a cardiac disease group, an infectious disease group, and a non-cardiac, non-infectious disease group.

Result:

In total, 348 children were enrolled, including 134 patients (38.5%) with cardiac disease, 170 patients (48.9%) with infectious disease, and 44 patients (12.6%) with non-cardiac, non-infectious disease. The NT-proBNP level of the cardiac disease group (median: 548 pg/mL; range: 5–35,000 pg/mL) was significantly higher than that of the infectious disease group (median: 193 pg/mL; range: 10–35,000 pg/mL) and the non-cardiac, non-infectious disease group (median: 280 pg/mL; range: 6–35,000 pg/mL). Regarding clinical status, the NT-proBNP levels were significantly higher in patients who needed mechanical ventilation support, oxygen therapy, or inotropic medication or had a change in mental status than in other patients. However, the systemic inflammatory response syndrome and mortality were not related to the NT-proBNP level.

Conclusion:

Among heterogeneous group of children, NT-proBNP level can be a useful marker of cardiac disease. Furthermore, the NT-proBNP levels were related to patients’ clinical deteriorations, such as shock rather than the inflammatory status of patients.
Aortic regurgitation after closure of ventricular septal defect by transcatheter device: the long-term complication
Authors: Han Yuehu , Li Hongling , Zhu Hailong , Sun Guocheng , Yin Qiang , Gu Chunhu
Published: February 2020

Ventricular septal defect is the most common type of CHD, and transcatheter ventricular septal defect closure has been shown to be an alternative to surgical closure with acceptable mortality and morbidity as well as encouraging results. Short-term and mid-term follow-ups have indicated the safety and efficacy of transcatheter closure, but long-term follow-up results were rare. In this report, we first found that aortic regurgitation occurred in patients 9–12 years following transcatheter closure and regurgitation were gradually increased. The findings indicate that the long-term outcome of transcatheter closure of ventricular septal defect may not be as satisfied as expected.
Developing a conceptual framework for implementation science to evaluate a nutrition intervention scaled-up in a real-world setting
Authors: Sarma Haribondhu , D’Este Catherine , Ahmed Tahmeed , Bossert Thomas J , Banwell Cathy
Published: February 2020

Objective:

The aim of this paper is to identify and develop a comprehensive conceptual framework using implementation science that can be applied to assess a nutrition intervention in a real-world setting.

Design:

We conducted a narrative review using electronic databases and a manual search to identify implementation science frameworks, models and theories published in peer-reviewed journals. We performed a qualitative thematic analysis of these publications to generate a framework that could be applied to nutrition implementation science.

Results:

Based on this review, we developed a comprehensive framework which we have conceptualised as an implementation science process that describes the transition from the use of scientific evidence through to scaling-up with the aim of making an intervention sustainable. The framework consisted of three domains: Domain i – efficacy to effectiveness trials, Domain ii – scaling-up and Domain iii – sustainability. These three domains encompass five components: identifying an ‘effective’ intervention; scaling-up and implementation fidelity; course corrections during implementation; promoting sustainability of interventions and consideration of a comprehensive methodological paradigm to identify ‘effective’ interventions and to assess the process and outcome indicators of implementation. The framework was successfully applied to a nutrition implementation program in Bangladesh.

Conclusions:

Our conceptual framework built from an implantation science perspective offers a comprehensive approach supported by a foundational and holistic understanding of its key components. This framework provides guidance for implementation researchers, policy-makers and programme managers to identify and review an effective intervention, to scale it up and to sustain it over time.
Interevent Seismicity Statistics Associated With the 2018 Quasiperiodic Collapse Events at Kīlauea, HI, USA
Authors: Fildes Rebecca A. , Kellogg Louise H. , Turcotte Donald L. , Rundle John B.
Published: February 2020

Following the Mw 6.9 Hawaiian earthquake on 4 May 2018, a remarkable quasiperiodic sequence of collapse events began at Halema'uma'u Crater at the summit of Kīlauea Volcano. The collapse events were associated with the drainage of magma from beneath the summit to the Lower East Rift Zone where fissure eruptions occurred. From 4 June 2018 to 2 August 2018 forty‐seven collapse events Mw 5.3 ± 0.1 occurred with the same temporal pattern of seismicity occurring between sequential pairs of collapse events. This paper focuses on this interevent seismicity pattern. Following a collapse event, there was a relatively quiescent period. This was followed by a sudden increase in seismicity, occurring at a nearly linear rate of 397 ± 96 earthquakes per day. These seismically active periods lasted until the next collapse event occurred. The pattern then repeated itself beginning again with postcollapse quiescence. We provide a statistical summary of this seismicity behavior by isolating the quiescent and active times to look at immediate precollapse and postcollapse activity. In mid‐June there were significant changes in the quiescent time lengths (decreased), the number of earthquakes during the interevent times (increased), and the rates of seismicity during the active times (increased). This type of interevent study could be conducted with other seismically well recorded, sequential caldera collapse events and also with other data types to look for potential physical explanations and an improved understanding of precollapse and postcollapse activity.