ALBERT

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Subish John, Samba Siva Vadla, Somnath C. Roy〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉CuO is a narrow band gap 〈em〉p〈/em〉-type semiconducting material having a wide range of applications. However, it is quite challenging to obtain phase pure CuO nanostructures grown directly on Cu substrate as most of the synthesis techniques like thermal oxidation results in the formation of additional Cu〈sub〉2〈/sub〉O phase. In this work, we report the growth of CuO nanoflakes without the formation of Cu〈sub〉2〈/sub〉O by a facile two-step synthesis process which consist of electrochemical anodization of Cu foil followed by low-temperature hydrothermal treatment at 100 °C. The phase purity of the sample is confirmed through XRD, XPS, and HRTEM. Further, photocurrent response of the sample is evaluated, and a rapid thermal treatment was used to improve the photo-response without altering the phase and morphology of the CuO nanoflakes. Such a process at 400 °C for 10 s resulted in a high photocurrent density of −4.6 mAcm〈sup〉−2〈/sup〉 (at 0.05 V 〈em〉vs.〈/em〉 RHE under AM 1.5G conditions). Electrochemical impedance spectroscopy and Mott Schottky analysis shows the direct role of rapid thermal treatment in increasing the charge carrier density of the sample.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0013468619313337-fx1.jpg" width="500" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Cong Liu, Fenyun Yi, Dong Shu, Weixin Chen, Xiaoping Zhou, Zhenhua Zhu, Ronghua Zeng, Aimei Gao, Chun He, Xia Li〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Three-dimensional N/S co-doped succulent-like hierarchical carbon (3D NS-SHC) is synthesized by carbonization of a supramolecular cluster. In this supramolecular process, potassium citrate can act as a reliable carbon source, while the thiourea as a N/S source and then, two molecules gradually tend to generate a giant “all-in-one” precursor via hydrogen bonding verified by Independent Gradient Model (IGM) calculation. TEM and SEM images show the N/S co-doped carbon holds a novel 3D succulent-like hierarchical structure. For NS-SHC-8:8 sample, element mapping images display the uniform N/S atoms distribution. These distinct features can be related to the supramolecular polymerization which promotes in-situ N/S co-doping homogenously and conduces to build 3D structure. Typically, NS-SHC-8:8 electrode exhibits prominent specific capacitance (258.5 F g〈sup〉−1〈/sup〉 at 0.5 A g〈sup〉−1〈/sup〉) and excellent cycle stability (94.4% after 20000 cycles) in three-electrode system. Furthermore, an assembled quasi-solid state symmetric supercapacitor delivers good energy density (10.2 Wh kg〈sup〉−1〈/sup〉 at 250 W kg〈sup〉−1〈/sup〉) and steady cycle endurance (85.1% after 10000 cycles). These eximious behaviors of NS-SHC-8:8 are mainly attributed to (1) the uniform N/S atoms distribution and their synergistic effect, which brings extra Faradaic reaction to higher specific capacitance, (2) the charming 3D succulent-like hierarchical structure, which serves as a multifunctional reservoir that can accommodate the ion/charge and facilitate their migration to further promote the electrochemical performance. Above mentions suggest that this uniformly heteroatom-modified carbon material produced by supramolecular technique is promising for high-performance energy storage devices.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0013468619313283-fx1.jpg" width="296" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Arunprabaharan Subramanian, Mahadeo A. Mahadik, Jin-Woo Park, In Kwon Jeong, Hee-Suk Chung, Hyun Hwi Lee, Sun Hee Choi, Weon-Sik Chae, Jum Suk Jang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Herein, we report the surface treatment on Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoped α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 photoanode for high-performance photoelectrochemical water splitting. A high-temperature quenching exhibits the Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoping in α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 photoanode without damaging morphology. The presence of Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoping shows a cathodic shift in onset potential, but lack of increment in photocurrent reveals the major role of passivation and the minimum doping effect of aluminum. Additionally, CoO〈sub〉x〈/sub〉 cocatalyst exhibits increment in photocurrent with the greater cathodic shift in onset potential than the pristine α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 nanorods. The CoO〈sub〉x〈/sub〉 surface-reworked Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoped α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 photoanode displays the highest photocurrent of 1.5 mA/cm〈sup〉2〈/sup〉 at 1.23 V vs. RHE (76% increment over the pristine α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉) and 0.7 mA/cm〈sup〉2〈/sup〉 at 1.0 V vs. RHE (102% increment over the pristine α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉). The systematic characterization carried out using x-ray diffraction and scanning electron microscopy confirms that after Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoping, and surface treatment, the crystalline structure, and morphology of the photoanodes remains unchanged. X-ray photoelectron spectroscopy confirmed the existence of Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codopants in the hematite nanostructure. The electrochemical properties of the photoanode suggest that Al〈sup〉3+〈/sup〉 and Zr〈sup〉4+〈/sup〉 codoping, as well as surface treatment with CoO〈sub〉x〈/sub〉, cocatalyst lowers charge transfer resistance across the FTO/hematite interface, and hematite/electrolyte interface. This designs not only lowers onset potential but also offers the blueprint for the development of an efficient catalyst for solar water oxidation.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉CoO〈sub〉x〈/sub〉 surface-reworked Zr〈sup〉4+〈/sup〉/Al〈sup〉3+〈/sup〉 codoped α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 photoanode displays the 102% increment in PEC performance than pristine α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 at 1.0 V vs. RHE.〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0013468619312927-fx1.jpg" width="471" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 15 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry, Volume 27, Issue 16〈/p〉 〈p〉Author(s): Tao Li, Jing Li, Yang Yang, Yilin Han, Dirong Wu, Tao Xiao, Yang Wang, Ting Liu, Yonglong Zhao, Yongjun Li, Zeqin Dai, Xiaozhong Fu〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The deficiency of nucleos(t)ide analogues (NAs) as anti-hepatitis B virus (HBV) drugs in clinical use is attributable to their insufficient enrichment in liver and non-target organ toxicity. We aimed to develop potent anti-HBV adefovir derivatives with hepatotrophic properties and reduced nephrotoxicity. A series of adefovir mono 〈span〉l〈/span〉-amino acids, mono cholic acid-drug conjugates were designed and synthesized, and their antiviral activity and uptake in rat primary hepatocytes and Na〈sup〉+〈/sup〉-dependent taurocholate co-transporting polypeptide (NTCP)-HEK293 cells were evaluated. We isolated compound 〈strong〉6c〈/strong〉 as the optimal molecular candidate, with the highest antiviral activity (EC〈sub〉50〈/sub〉 0.42 μmol/L, SI 1063.07) and highest cellular uptake in primary hepatocytes and NTCP-HEK293 cells. In-depth mechanistic studies demonstrated that 〈strong〉6c〈/strong〉 exhibited a lower toxicity in HK-2 cells when compared to adefovir dipivoxil (ADV). This is because 〈strong〉6c〈/strong〉 cannot be transported by the human renal organic anion transporter 1 (hOAT1). Furthermore, pharmacokinetic characterization and tissue distribution of 〈strong〉6c〈/strong〉 indicates it has favorable druggability and pharmacokinetic properties. Further docking studies suggested compounds with ursodeoxycholic acid and 〈span〉l〈/span〉-amino acid groups are better at binding to NTCP due to their hydrophilic properties, indicating that 〈strong〉6c〈/strong〉 is a potential candidate as an anti-HBV therapy and therefore merits further investigation.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0968089619309034-ga1.jpg" width="327" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry, Volume 27, Issue 17〈/p〉 〈p〉Author(s): Bo Hou, Ze Liu, Xiao-Bei Yang, Wen-Fei Zhu, Jin-Yu Li, Liu Yang, Fu-Cai Reng, Yong-Feng Lv, Jiang-Miao Hu, Guo-Yang Liao, Jun Zhou〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The stems of 〈em〉Dryopteris crassirhizoma〈/em〉, one of the main components of Lianhua-Qingwen Formula (LQF) was traditionally used for heat-clearing and detoxifying. Dryocrassin 〈strong〉ABBA〈/strong〉 is a key antiviral component in the herbal medicine while the compound is hard to get in large amounts with the features of homologous compounds, polyphenol groups, and low contents. Therefore, the present work aims to seek influenza H7N9 virus inhibitors from natural source by synthesis of dryocrassin 〈strong〉ABBA〈/strong〉 and its analogues. As a result, total synthesis of the compound was achieved in nine steps with an over-all yield of 4.6%. Neuraminidases (NAs) inhibitory activities of the synthesized product and its analogues were evaluated afterward. Comparing with the positive control, OSV (9.6 μM), it was very exciting that dryocrassin 〈strong〉ABBA〈/strong〉 and its analogues (〈strong〉b5〈/strong〉 and 〈strong〉e2〈/strong〉) showed better NAs inhibitory activity against Anhui H7N9 with IC〈sub〉50〈/sub〉 values of 3.6 μM, 2.5 μM and 1.6 μM. For the highly resistant Shanghai N9, these compounds can also show medium inhibitory activities. Docking results indicated the direct interaction of synthesized 3 hits with the key K294 by hydrogen bonds, but no direct interaction of OSV with the key K294 was observed in Shanghai N9. This study suggested that dryocrassin 〈strong〉ABBA〈/strong〉 and its analogues especially 〈strong〉AB〈/strong〉, which consisted of polyphenol groups may have beneficial effects on treating avian influenza H7N9 virus.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉 〈p〉Total synthesis of dryocrassin ABBA and analogue structures with potential inhibitory activity against drug-resistant neuraminidases.〈/p〉 〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0968089619308879-ga1.jpg" width="278" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: 15 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Energy Conversion and Management, Volume 196〈/p〉 〈p〉Author(s): Zhendong Zhang, Hui Qin, Yongqi Liu, Liqiang Yao, Xiang Yu, Jiantao Lu, Zhiqiang Jiang, Zhongkai Feng〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉As a renewable and clean energy, wind energy plays an important role in easing the increasingly serious energy crisis. However, due to the strong volatility and randomness of wind speed, large-scale integration of wind energy is limited. Therefore, obtaining reliable high-quality wind speed prediction is of great importance for the planning and application of wind energy. The purpose of this study is to develop a hybrid model for short-term wind speed forecasting and quantifying its uncertainty. In this study, Minimal Gated Memory Network is proposed to reduce the training time without significantly decreasing the prediction accuracy. Furthermore, a new hybrid method combining Quantile Regression and Minimal Gated Memory Network is proposed to predict conditional quantile of wind speed. Afterwards, Kernel Density Estimation method is used to estimate wind speed probabilistic density function according to these conditional quantiles of wind speed. In order to make the model show better performance, Maximal Information Coefficient is used to select the feature variables while Genetic Algorithm is used to obtain optimal feature combinations. Finally, the performance of the proposed model is verified by seven state-of-the-art models through four cases in Inner Mongolia, China from five aspects: point prediction accuracy, interval prediction suitability, probability prediction comprehensive performance, forecast reliability and training time. The experimental results show that the proposed model is able to obtain point prediction results with high accuracy, suitable prediction interval and probability distribution function with strong reliability in a relatively short time on the prediction problems of wind speed.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0196890419306958-ga1.jpg" width="159" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Volume 1867, Issue 9〈/p〉 〈p〉Author(s): 〈/p〉

Description: 〈p〉Publication date: Available online 8 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Biomembranes〈/p〉 〈p〉Author(s): Deo R. Singh, Christopher King, Matt Salotto, Kalina Hristova〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉EGFR is a receptor tyrosine kinase that plays a critical role in cell proliferation, differentiation, survival and migration. Its activating ligand, EGF, has long been believed to stabilize the EGFR dimer. Two research studies aimed at quantitative measurements of EGFR dimerization, however, have led to contradicting conclusions and have questioned this view. Given the controversy, here we sought to measure the dimerization of EGFR in the absence and in the presence of saturating EGF concentrations, and to tease out the effect of ligand on dimer stability, using a FRET-based quantitative method. Our measurements show that the dissociation constant is decreased ~150 times due to ligand binding, indicative of significant dimer stabilization. In addition, our measurements demonstrate that EGF binding induces a conformational change in the EGFR dimer.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0005273619301476-ga1.jpg" width="265" alt="Unlabelled Image" title="Unlabelled Image"〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: November 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Carbon, Volume 153〈/p〉 〈p〉Author(s): Ayoub H. Jaafar, N.T. Kemp〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This paper reports on the first optically tunable graphene oxide memristor device. Modulation of resistive switching memory by light opens the route to new optoelectronic devices that can be switched optically and read electronically. Applications include integrated circuits with memory elements switchable by light and optically reconfigurable and tunable synaptic circuits for neuromorphic computing and brain-inspired, artificial intelligence systems. In this report, planar and vertical structured optical resistive switching memristors based on graphene oxide are reported. The device is switchable by either optical or electronic means, or by a combination of both. In addition the devices exhibit a unique wavelength dependence that produces reversible and irreversible properties depending on whether the irradiation is long or short wavelength light, respectively. For long wavelength light, the reversible photoconductance effect permits short-term dynamic modulation of the resistive switching properties of the light, which has application as short-term memory in neuromorphic computing. In contrast, short wavelength light induces both the reversible photoconductance effect and an irreversible change in the memristance due to reduction of the graphene oxide. This has important application in the fabrication of cloned neural networks with factory defined weights, enabling the fast replication of artificial intelligent chips with pre-trained information.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0008622319306943-fx1.jpg" width="485" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 3 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochemical and Biophysical Research Communications, Volume 516, Issue 4〈/p〉 〈p〉Author(s): Yanjie Hou, Tian Gong, Jiangtao Zhang, Xi Yang, Yurong Guo〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The thinned-young apple polysaccharides from three varieties were obtained by hot water extraction at 88 ̊C for 120 min. The compositional monosaccharides of the three polysaccharides were shown to be the same (xylose, mannose, galactose and glucose) and the molecular weights of the polysaccharides were in the range of 200–300 kDa. Compared with “Qinyang” and “Pinklady”, the polysaccharide from “Jinshiji” had the highest emulsifying capacity. Moreover, the variations in pH and cation ion concentrations had also a significant effect on the emulsifying properties of the extracted polysaccharides. At pH 2.0–4.0, the prepared emulsion had smaller droplet sizes than at higher pH values. Although the emulsion was stable at low concentrations of Na〈sup〉+〈/sup〉 and Ca〈sup〉2+〈/sup〉 ions, high concentrations of Na〈sup〉+〈/sup〉 and Ca〈sup〉2+〈/sup〉 led to significant destabilization of the emulsion. Conclusively, our results demonstrated the potential application of thinned-young apple polysaccharide as a natural polysaccharide emulsifying agent.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 8 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics〈/p〉 〈p〉Author(s): Martina Paumann-Page, Rupert Tscheliessnig, Benjamin Sevcnikar, Romy-Sophie Katz, Irene Schwartz, Stefan Hofbauer, Vera Pfanzagl, Paul G. Furtmüller, Christian Obinger〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Human peroxidasin 1 is a multidomain peroxidase situated in the basement membrane. The iron enzyme with covalently bound heme oxidizes bromide to hypobromous acid which facilitates the formation of distinct sulfilimine cross-links in the collagen IV network and therefore contributes to its mechanical stability. Additional to the catalytically active peroxidase domain peroxidasin comprises a leucine rich repeat domain, four Ig domains and a C-terminal von Willebrand factor type C module (VWC). Peroxidasin has been shown to form homotrimers involving two redox-sensitive cysteine residues and to undergo posttranslational C-terminal proteolytic cleavage. The present study on several recombinantly produced truncated peroxidasin variants showed that the VWC is not required for trimer formation whereas the alpha-helical linker region located between the peroxidase domain and the VWC is crucial for trimerization. Our data furthermore implies that peroxidasin oligomerization occurs intracellularly before C-terminal cleavage. For the first time we present overall solution structures of monomeric and trimeric truncated peroxidasin variants which were determined by rotary shadowing combined with transmission electron microscopy and by small-angle X-ray scattering (SAXS). A triangular arrangement of the peroxidase domains to each other within the homotrimer was revealed and this structure was confirmed by a model of trimeric peroxidase domains. Our SAXS data showed that the Ig domains are highly flexible and interact with the peroxidase domain and that within the homotrimer each alpha-helical linker region interacts with the respective adjacent peroxidase domain. The implications of our findings on the structure-function relationship of peroxidasin are discussed.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S1570963919301219-ga1.jpg" width="240" alt="Unlabelled Image" title="Unlabelled Image"〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: November 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Carbon, Volume 153〈/p〉 〈p〉Author(s): C.M. Ramos-Castillo, M.E. Cifuentes-Quintal, E. Martínez-Guerra, R. de Coss〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Energy gap engineering in graphene nanostructures is one of the most important topics towards development of graphene-based electronics. In this work, based on the density functional theory, the role of the edge magnetism on the size dependence of Kohn-Sham gap and fundamental energy gap for 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"〉〈mrow〉〈msub〉〈mrow〉〈mtext〉C〈/mtext〉〈/mrow〉〈mrow〉〈mn〉6〈/mn〉〈mtext〉nn〈/mtext〉〈/mrow〉〈/msub〉〈msub〉〈mrow〉〈mtext〉H〈/mtext〉〈/mrow〉〈mrow〉〈mn〉6〈/mn〉〈mtext〉n〈/mtext〉〈/mrow〉〈/msub〉〈/mrow〉〈/math〉 (〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"〉〈mrow〉〈mtext〉n〈/mtext〉〈mo linebreak="badbreak"〉=〈/mo〉〈mn〉2〈/mn〉〈mo linebreak="goodbreak" linebreakstyle="after"〉−〈/mo〉〈mn〉16〈/mn〉〈/mrow〉〈/math〉) hexagonal graphene quantum dots (GQDs) with zigzag edges is studied. We found a transition from a nonmagnetic to an antiferromagnetic state at a certain critical diameter (〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si3.svg"〉〈mrow〉〈mo〉∼〈/mo〉〈/mrow〉〈/math〉 3 nm), characterized by the opening of a Kohn-Sham gap as a consequence of the exchange interaction between localized edge states. Furthermore, the fundamental gap is obtained from the difference between the calculated vertical ionization and electron affinity energies. Such approximation includes relaxation in the exchange correlation potential when the electron is added to the system, which might be useful for GQDs transport properties interpretation. We found a scaling rule for the fundamental gap dependence on quantum dot size, providing a practical way to predict this property for large GQDs with zigzag edges, which currently in most demanding approaches, such as GW, is unfeasible.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0008622319306876-fx1.jpg" width="500" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 The International Journal of Biochemistry & Cell Biology, Volume 114〈/p〉 〈p〉Author(s): Deep Pooja, Anusha Gunukula, Nitin Gupta, David J. Adams, Hitesh Kulhari〈/p〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The biggest challenge in delivering anticancer agents is the ability to direct these molecules specifically to cancer cells. With this in mind, modern research is focussing on improving the precision of cancer drug delivery by incorporating a ligand that has the ability to specifically recognize cancer cells. Peptides are emerging as a new tool in drug and gene delivery. Peptide-drug conjugates, peptide-modified drug delivery systems, and peptide-coupled imaging agents have been shown to increase on-site delivery. This has allowed better tumor mass contouring in imaging and increased therapeutic efficacy of chemotherapies, reducing adverse effects. Benefits of peptide ligands include their small size, easy and affordable production, high specificity and remarkable flexibility regarding their sequence and conjugation possibilities. Bombesin (Bn) receptors have shown great promise for tumor targeting due to their increased expression in a variety of human cancers, including prostate, breast, small cell lung, and pancreatic cells. This review discusses the overexpression of Bn receptors in different cancers and various approaches to target these receptors for therapeutic and diagnostic interventions in human malignancies.〈/p〉〈/div〉

Description: 〈p〉Publication date: December 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Physics and Chemistry of Solids, Volume 135〈/p〉 〈p〉Author(s): Lamya H. Al-Wahaibi, Yusuf Sert, Fatih Ucun, Nora H. Al-Shaalan, Aisha Alsfouk, Ali A. El-Emam, Mustafa Karakaya〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This research relates to the molecular structure, electronic properties and IR, Raman and XPS analyses of the potential chemotherapeutic agent namely, 5-(adamantan-1-yl)-〈em〉N〈/em〉-methyl-1,3,4-thiadiazol-2-amine. Another purpose is to explore the structural stabilities and consistencies and, to assess the stable interaction energy and intermolecular hydrogen bond geometry for its dimeric structure. The monomer and dimer optimizations of the molecule have been calculated by the DFT method using various functionals such as B3LYP, B3PW91, mPW1PW91 and M06-2X. Although the minimum energy optimization was calculated at the B3LYP functional, the BSSE-corrected and uncorrected interaction energies of the dimer structure were more effectively obtained with the M062X functional. This assured us a test of the efficiency of M06-Class functional calculations on intermolecular interactions of strongly bound systems. Additionally, the molecular docking study was done between our molecule (ligand) and the previously studied and known as cortisone reductase 11β-Hydroxysteroid dehydrogenase type 1 (receptor, 11-β-HSD1: PDB-2ILT).〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0022369718334346-fx1.jpg" width="455" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: December 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Physics and Chemistry of Solids, Volume 135〈/p〉 〈p〉Author(s): Hongfang Jiu, Na Ren, Lixin Zhang, Qing Zhang, Yuying Gao, Yajuan Meng〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The flower-like ZnMn〈sub〉2〈/sub〉O〈sub〉4〈/sub〉 hollow microtubules were synthesized by a hydrothermal method and calcination method. The composition and morphology were characterized. The results showed that flower-like hollow microtubules were obtained through calcination treatment. The as-prepared ZnMn〈sub〉2〈/sub〉O〈sub〉4〈/sub〉 electrochemical properties of flower-like hollow microtubules anode material for lithium-ion batteries were investigated. The first charge and discharge capacity was measured at 2152/1263 mA h g〈sup〉−1〈/sup〉 when the current density at 400 mA g〈sup〉−1〈/sup〉. After 300 cycles, the capacity kept 515 mA h g〈sup〉−1〈/sup〉 corresponding to the coulombic efficiency of 99%, which exhibited preferable cycling performance. The stability of the structure has been shown by rate performance, which had been tested under different current density. The results suggest a promising application of the ZnMn〈sub〉2〈/sub〉O〈sub〉4〈/sub〉 as anode material for lithium-ion batteries.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0022369718333468-fx1.jpg" width="500" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: December 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Physics and Chemistry of Solids, Volume 135〈/p〉 〈p〉Author(s): Takahiro Iijima, Tadashi Shimizu, Atsushi Goto, Kenzo Deguchi, Toshihito Nakai, Ryutaro Ohashi, Masayoshi Saito〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In Ti-based Ziegler-Natta catalysts (ZNCs), disagreements exist concerning which lateral surface of the MgCl〈sub〉2〈/sub〉 support adsorbs Ti species so as to be an active site for the catalysis of polymerization. In the present paper, we investigated the local structure of TiCl〈sub〉4〈/sub〉 adsorbed onto the surface of MgCl〈sub〉2〈/sub〉 by 〈sup〉47,49〈/sup〉Ti solid-state nuclear magnetic resonance (NMR) spectra at 21.8 T along with density functional theory (DFT) calculations. The magic-angle-spinning NMR spectrum of the TiCl〈sub〉4〈/sub〉/MgCl〈sub〉2〈/sub〉 adduct sample prepared by 20 h of milling, which exhibited broadened and shifted peaks compared to that of the sample without milling, was simulated by a Czjzek model considering the distribution of quadrupole interaction parameters. The electric field gradient and chemical shielding tensors of 〈sup〉49〈/sup〉Ti were obtained via DFT calculations for model molecules of TiCl〈sub〉4〈/sub〉, 2TiCl〈sub〉4〈/sub〉, and Ti〈sub〉2〈/sub〉Cl〈sub〉8〈/sub〉 adsorbed onto the (110), (104), and (104)-step defect surfaces of MgCl〈sub〉2〈/sub〉. By comparing the obtained NMR parameters, the 〈sup〉47,49〈/sup〉Ti NMR spectrum of the milled sample was assigned to TiCl〈sub〉4〈/sub〉 adsorbed onto the (104) surface of MgCl〈sub〉2〈/sub〉, which may not be a principal component of adsorption.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S002236971930472X-fx1.jpg" width="380" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 1 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Chromatography B, Volume 1125〈/p〉 〈p〉Author(s): Roberta Natália Cestari, Adriana Rocha, Renê Donizeti Ribeiro de Oliveira, Vera Lucia Lanchote〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Gemfibrozil (GFZ) is a derivative of fibric acid and is used in the treatment of dyslipidemia. GFZ may affect the metabolism of various drugs, including statins, by inhibiting the sinusoidal influx transporter OATP1B1 and also CYP2C9 and CYP2C8 enzymes. This study presents the development and validation of a rapid, simple, sensitive and reproducible method of GFZ analysis in human plasma using UPLC-MS/MS. The method was applied in a pharmacokinetic study following administration of multiple doses of 600 mg GFZ every 12 h in healthy volunteers (〈em〉n〈/em〉 = 15). GFZ was separated on a C18 column using a mixture of 0.01% formic acid and acetonitrile (40:60, v/v) as the mobile phase at a flow rate of 0.4 mL/min. The method showed linearity in the range from 0.01 μg/mL to 100 μg/mL plasma. The coefficients of variation and the relative standard errors of the accuracy and precision analyses were 〈15%. The method allowed quantification of plasma concentrations of GFZ in the dose interval of the sixth day of administration of multiple oral doses of GFZ every 12 h. The pharmacokinetic parameters are presented as mean (95% CI): area under the plasma concentration 〈em〉versus〈/em〉 time curve 〈strong〉88.84〈/strong〉 (72.72–104.96) μg·h/mL, steady state mean plasma concentration 7.40 (6.06–8.75) μg/mL, minimum plasma concentration 1.24 (0.87–1.61) μg/mL, maximum plasma concentration 26.73 (21.31–32.15) μg/mL, time to reach maximum plasma concentration 2.28 (1.42–3.13) h, elimination half-life 2.81 (2.22–3.40) h, apparent total clearance 7.72 (5.85–9.58) L/h, apparent distribution volume 33.97 (18.41–49.53) L. In conclusion, the method for analysis of GFZ in human plasma showed sensitivity, linearity, precision and accuracy compatible with application in pharmacokinetic studies of multiple oral dose of 600 mg GFZ every 12 h.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 8 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Chromatography A〈/p〉 〈p〉Author(s): Jonas Henschel, Simon Wiemers-Meyer, Marcel Diehl, Constantin Lürenbaum, Wen Jiang, Martin Winter, Sascha Nowak〈/p〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The expansion of lithium ion battery (LIB) application is accompanied by the growth of battery pack sizes. This progression emphasizes the consideration of electrolyte safety as well as environmental aspects in case of abuse, accident, or recycling. Hexafluorophosphate is one of the most commonly used conducting salt anions in electrolytes. It has great potential to degrade to various acidic and non-acidic organo(fluoro)phosphates with presence of water and during battery cell operation. Consequently, toxicological investigation on these organo(fluoro)phosphates has emerged because they either have structural similarities as chemical warfare agents or play a widespread physiological role as phosphates in the human body. This circumstance underlines the need of isolated examination of these compounds for safety assessment. In this work, we used hydrophilic interaction liquid chromatography for the extraction of acidic organofluorophosphates from thermally aged LIB electrolytes. The developed two-step fractionation method provided high separation selectivity towards acidic head groups, which allowed the separation of undesired matrix and target compounds. These findings facilitate isolated toxicological investigations on organofluorophosphates that are beneficial for environmental and safety research, the battery cell industry, and human safety surveillance in regard to aged LIB electrolytes.〈/p〉〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Petroleum Science and Engineering, Volume 181〈/p〉 〈p〉Author(s): Shuai Zhao, Wanfen Pu, Mikhail A. Varfolomeev, Chengdong Yuan, Shan Qin, Liangliang Wang, Dmitrii A. Emelianov, Artashes A. Khachatrian〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Because the thermal release correlates directly with the success of in-situ combustion (ISC) technology, this research performs a series of investigations concerning thermal behavior and kinetics of heavy crude oil during combustion using high pressure differential scanning calorimetry (HP-DSC) and accelerating rate calorimetry (ARC). The results obtained from HP-DSC profiles indicated that for oil alone and its mixtures with quartz sand/crushed core, the peak temperature was lowered, and the heat flow increased with increasing oxygen partial pressure. The heat enthalpy of low temperature oxidation (LTO) was higher than that of high temperature oxidation (HTO) under oxygen partial pressures of 0.5, 1 and 1.5 MPa, and the increase in heat enthalpy of LTO with oxygen partial pressure was more pronounced than that of HTO. Unlike the crushed core, the addition of quartz sand delayed exothermic oxidation reactions. Compared with oil only and oil + quartz sand, the LTO and HTO peak temperatures of oil + crushed core were considerably lowered, and the effect of crushed core on increasing heat release for LTO at oxygen partial pressure of 1.5 MPa was more prominent. It was observed that the heat enthalpy of LTO and HTO increased quasi-linearly with the oxygen partial pressure in both the presence and absence of quartz sand/crushed core. ISC might be considered as an appropriate candidate for Jiqi block, based on exothermic continuity of the ARC curves, with the near-wellbore zone of target block heated to 180 °C where the exothermic oxidation activity is notably intensified. The kinetic results showed that the LTO and HTO intervals were divided into 6 and 2 subintervals, respectively, which facilitated more precise modelling of the ISC process.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Petroleum Science and Engineering, Volume 181〈/p〉 〈p〉Author(s): Zan Chen, Menglu Lin, Shuhua Wang, Shengnan Chen, Linsong Cheng〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Studies have shown that the gas huff and puff injection potentially perform better than the continuous gas flooding in enhancing the hydrocarbon recovery in the liquid rich tight reservoirs. During the fracturing stimulation, only part of the induced hydraulic fractures is propped because proppants cannot be carried to the fracture tips. Moreover, some secondary and tertiary fractures may be too narrow to accommodate any proppants. The conductivity of the unpropped fractures is highly dependent on the variation of the in-situ pressure and may be open and close periodically during the huff-n-puff cycles. In this study, the stress-dependent fracture conductivity and its impact on the produced gas huff-n-puff performance are investigated in a liquid rich tight reservoir, considering the existence of the large amount of the unpropped fractures. The experimental data of stress-dependent fracture conductivity is employed first to simulate the dynamic conductivity during the depletion and the gas huff and puff cycles. A reservoir model is then constructed and history-matched based on the reservoir fluid samples and the field production data collected from the Montney liquid rich tight reservoir in Western Canada. Performance of the produced gas huff-n-puff is examined in the targeted reservoir and results show that contributions of the unpropped fractures cannot be ignored, which leads to 7.8% more condensate (i.e., oil) production and 2.8% higher in barrel of oil equivalent (BOE), compared to the case with propped fractures only. The effects of complex fracture geometry and the cluster completion are also investigated and results show that the unpropped fracture contributions towards the condensate production and BOE are even more pronounced in the complicated scenarios. The condensate oil and BOE are 42.0% and 22.9% higher in complex fracture geometry case and 12.4% and 5.6% higher in the fractures with multiple clusters than those scenarios with propped fractures only. This paper provides a better understanding on the potential performance of enhanced hydrocarbons recovery in liquid rich tight gas reservoirs via gas huff-n-puff operations.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Petroleum Science and Engineering, Volume 181〈/p〉 〈p〉Author(s): Abdelrahman Elkhateeb, Reza Rezaee, Ali Kadkhodaie〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉 〈p〉Traditionally, prediction of facies and permeability for a reservoir rock was one of many challenges in the industry that necessitates advanced and sophisticated evaluation for effective reservoir description. Three wells have been studied in the Perth Basin in Western Australia across the shaly sand of the Irwin River Coal Measures Formation, which contain a comprehensive suite of advanced and conventional logs. Due to the reservoir heterogeneity and the clay distribution, it is very challenging to resolve the effective pore volume, the reservoir facies and how the high permeability zones are distributed within the formation.〈/p〉 〈p〉In this paper, a new technique has been successfully tested on the Shaly Sand by integrating the nuclear magnetic resonance (NMR) and the conventional density log. The method allows the establishment of high-resolution facies classification for the reservoir using an Equivalent Flow Zone Indicator Index (EFZI). The studied core facies have been integrated with the EFZI into a new workflow to distribute facies on a larger scale in the uncored wells.〈/p〉 〈p〉Four hydraulic flow units (HFU) have been defined from one cored well using Flow Zone Indicator approach, with each has a unique FZI value and different permeability model based on core measurements. The EFZI-based high-resolution facies have been validated at several formation depths using the core thin sections to ensure the best calibration will be obtained for facies log, hence the permeability log-to-core match.〈/p〉 〈p〉The methodology will help running an advanced petrophysical analysis for the zone of interest and will reduce the parameters uncertainty. Application of this methodology in the uncored wells has shown very encouraging results, which is believed it can be used in the absence of any core data to resolve the rock typing from the well logs.〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Petroleum Science and Engineering, Volume 181〈/p〉 〈p〉Author(s): Atousa Heydari, Kiana Peyvandi〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this work, the stainless steel mesh was used to study the effect of metallic porous media on the formation of methane hydrate and some parameters such as induction time, the kinetics growth and the mole of gas consumed have been investigated at a temperature of 3 °C (276.15 K) and a pressure of 760 psi (5.24Mpa). The metallic porous media was able to show better results on the methane hydrate formation relative to the silica gel. Hence the induction time and, eventually, the total time of the hydrate formation process decreased by about 60%. The kinetics growth and the amount of gas consumed increased significantly. Also, the effect of two types of anionic and nonionic surfactants as kinetics promoters studied in this porous media. The result of adding SDS and SDBS at a concentration near the CMC designated that the induction time lasted nearly zero and the total time of the process by SDBS was minimal. It should be noted that the non-ionic surfactant SPAN 80 could not have a positive effect on this porous media. In general, therefore, the results of this research attempts to show that the stainless steel mesh with SDBS possessed high potential in obtaining the industrial purpose of gas hydrate growth and also was significant in the field of energy storage and transport.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0920410519306473-fx1.jpg" width="500" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Petroleum Science and Engineering, Volume 181〈/p〉 〈p〉Author(s): Shuaishuai Jiang, Xuehua Chen, Yingkai Qi, Wei Jiang, Jie Zhang, Zhenhua He〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The frequency-dependent attenuation and velocity dispersion of seismic responses are closely related to hydrocarbon reservoirs. To further investigate the characteristics of seismic responses caused by pore fluid-bearing reservoirs, the role of gas saturation is analyzed in seismic responses of sand reservoirs characterized by the patchy saturation model. To this end, a novel wave extrapolation method is developed based on the diffusive-viscous wave equation (DVWE) as well as a scheme for an extended local Rytov Fourier (ELRF) approximation within the extrapolation depth interval. Our proposed method considers the presence of fluid mixtures in the porous media, resulting in seismic attenuation and dispersion by the mechanism generally known as wave-induced fluid flow (WIFF). This method enables an accommodation for the lateral variations in slowness, diffusion coefficient and viscosity. Subsequently, the extrapolation is adopted to model the synthetic seismic data of a distributary channel model. During this modeling, a gas-water saturated sand reservoir embedded into one of the channels was used to comparatively analyze the distinct features on its seismic synthetic data. We exhibited the numerical simulation results using the proposed wave extrapolation method here and the traditional acoustic wave equation (AWE) method. A comparison of the simulation results, demonstrates that our proposed numerical method can depict the seismic dispersion and frequency-dependent attenuation as well as the phase delay effects associated with gas-water-saturated sand reservoirs. Furthermore, we compare the seismic responses by changing the gas saturations of the sand reservoir. The gas saturation of the reservoir has significant effects on the seismic characteristics of the numerical modeling data. The numerical modeling method improves our understanding of the mechanisms of seismic frequency-dependent characteristics associated with gas saturations and potentially contributes to better insights into gas reservoir indicators derived from seismic field data.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 15 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Tetrahedron Letters, Volume 60, Issue 33〈/p〉 〈p〉Author(s): Mitali Mishra, Seetaram Mohapatra, Nilima Priyadarsini Mishra, Bighnanshu K. Jena, Pravati Panda, Sabita Nayak〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Heterocyclic compounds particularly five, six and seven membered ring containing heterocycles are the most abundant which constitute a staggeringly diverse and important class of molecules that occur ubiquitously in a variety of synthetic drugs, bioactive natural products, pharmaceuticals and agrochemicals. Owing to the glorious past and impressive present of the biologically active heterocyclic scaffolds, these skeletons have long been a subject of immense interest. Hence, substantial efforts have been made to the development of new and innovative synthetic strategies for the synthesis of these heterocycles involving use of different metal catalysts, organic and inorganic reagents etc. Among the different types of metal catalysts used, iron catalysts are one of the cheap and easily available. In recent time, several new and innovative iron(III) chloride catalyzed synthesis of heterocycles with structural diversity are coming in the forefront of the literature by the scientific community. This review highlights the advancements made so far by iron(III) chloride for the synthesis of different assemblies of small heterocycles covering the year 2014–2018.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0040403919306628-ga1.jpg" width="261" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: July–August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Materials Today, Volume 27〈/p〉 〈p〉Author(s): George F. Vander Voort〈/p〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Hiral D. Shah, J.A. Bhalodia〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this communication, we report the structural and electrical transport properties of (1-〈em〉x〈/em〉) La〈sub〉0.7〈/sub〉Sr〈sub〉0.3〈/sub〉Mn〈sub〉0.95〈/sub〉Co〈sub〉0.05〈/sub〉O〈sub〉3〈/sub〉 (LSMCO) + (〈em〉x〈/em〉) ZnO (〈em〉x〈/em〉 = 0%, 6%, 9%, 12%, 15% & 18%) composites. For the preparation of (1-〈em〉x〈/em〉) LSMCO + (〈em〉x〈/em〉) ZnO (〈em〉x〈/em〉 = 6%, 9%, 12%, 15% & 18%) composites, sample of LSMCO was prepared by the auto combustion technique/inexpensive modified sol-gel technique. The results of Rietveld refined XRD data show that LSMCO sample possesses a rhombohedral structure with the 〈em〉R-3c〈/em〉 space group whereas ZnO compound remains with hexagonal structure with the 〈em〉P6〈/em〉〈sub〉〈em〉3〈/em〉〈/sub〉〈em〉mc〈/em〉 space group in all the composite samples. The X-ray diffraction (XRD) and scanning electron microscopy (SEM) show that no any extra unwanted phase was observed in each composite excluding the LSMCO and ZnO phases. ZnO is mostly distributed at the grain boundaries and on the surface of the LSMCO grains. Elemental presence and ratio was confirmed through the EDX analysis. The electrical resistivity of LSMCO and each composite was measured in the temperature range of 2 K–320 K at 0 Oe, 10 kOe, 50 kOe & 90 kOe magnetic field. The results indicate that the ZnO addition increases the resistivity of all the composites compare to that of pure LSMCO. The electrical resistivity explored by the theoretical model below 〈em〉T〈/em〉〈sub〉MI〈/sub〉 and fitting enlightenment for the observed behavior is transmitted here in detail.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Dezhi Yang, Weihua Liu, Dingfu Cheng, Jieshi Chen, Hao Lu, Chun Yu, Jijin Xu〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉(Co, Cr)23C6 type carbide is a typical metallic compound in many cobalt bearing alloys, and it acts as the strengthening phase in the form of bulk eutectic carbides or precipitated carbides. In this work, first-principles calculations were carried out to investigate the electronic structure, phase stability, mechanical and magnetic properties of (Co, Cr)23C6 with different cobalt occupation. Some of the calculated values are compared with previous studies and, they are found to be in a good agreement. The method considering curvature radius is firstly used to describe the degree of anisotropy. The hardness calculated through elastic constants presents an approximate downtrend with the cobalt concentration. Analysis of the density of states (DOS), overlapped population and electron density maps, indicates that the bonds in (Co, Cr)23C6 are the mixture of covalent, ionic and metallic bonds, the interactions of 〈em〉d-d〈/em〉 orbits between metallic atoms contribute most to the hybridization mode. According to the population analysis, the reduction in hardness can attribute to the increase of metallicity and iconicity of the interacted metallic atoms. In addition, the formation of a large quantity of antibonding also plays a negative role in intrinsic hardness of (Co, Cr)23C6 when massive substitution of cobalt atom.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Morteza Alizadeh, Andisheh Shakery, Erfan Salahinejad〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this research, the structure and mechanical properties of 1050 aluminum strips reinforced with E-glass fibers, processed by the cross accumulative roll bonding (CARB) process, were investigated from microscopic, hardness, tensile and peeling viewpoints. The results indicated that the incorporation of the glass fibers in the Al matrix increases strength and micro-hardness but decreases elongation. In addition, it was realized that some of these fibers are broken and changed to short fibers during the CARB process. The presence of the glass fibers strongly also reduces the bond efficiency of the Al strips, typically from 50% to 5%. To compensate this deleterious effect, it was found that at least 25% should be increased to the normal thickness reduction used in CRAB.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 9 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Acta Astronautica〈/p〉 〈p〉Author(s): Bing Xiong, Xiao-qiang Fan, Yi Wang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉To improve the performance of a hypersonic inward turning inlet, an optimization design method was proposed. A parameterization methodology was developed for an axisymmetric basic flowfield, and the geometry of a basic flowfield can be easily generated in several parameters. Preliminarily, an optimization targeting on the basic flowfield performance was conducted. As a result, the total pressure recovery of the basic flowfield was improved 7.65% compared with the referred one under the same constraints. The corresponding stream-traced inlet performance was also improved 5.65%. For further optimization, an optimization directly targeting on the 3-D inlet performance was carried out. The method of calculating along streamlines (MCS), which is for the fast calculation of a stream-traced inlet flowfield, was proposed and confirmed before this optimization. The result shows that the 3-D inlet total pressure can be further enhanced 6.74% than the previous one, and it is 12.78% higher than the referred one. That is to say, it is more reasonable to target on the inlet performance directly for an optimization, rather than targeting on the basic flowfield performance. By statistically analyzing the optimization data, it was found that the opinion “A better basic flowfield means a better stream-traced inlet” is statistically correct, but not exactly correct. The steam-traced inlet performance is not exactly determined by a basic flowfield, and it is determined by a combination of all the flow tubes the inlet captures.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Applied Thermal Engineering, Volume 160〈/p〉 〈p〉Author(s): Jingqi Tan, Jianjian Wei, Tao Jin〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Onset and damping processes that characterize the transition of a thermoacoustic engine between the stationary and periodic oscillating states have attracted much research effort. In this work, the onset and damping characteristics of a closed two-phase thermoacoustic engine are investigated, where a regenerator is inserted between the cold and hot heat exchangers to reduce the irreversible loss caused by heat transfer. Additionally, a branch resonator, which consists of a load tube and a gas reservoir, is introduced to form the closed system and to adjust the acoustic field. A lumped parameter model is proposed to quantitatively analyze the performance of the thermoacoustic engine. Upon optimization, an onset temperature difference as low as 8.2 °C can be achieved in the experiments with R134a as the working fluid, which is the lowest one ever reported in the literatures. Besides, hysteresis phenomenon is found during the onset and damping processes. The present work aims to provide better understanding of the onset and damping behaviors of a two-phase thermoacoustic engine.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Applied Thermal Engineering, Volume 160〈/p〉 〈p〉Author(s): Bin Zou, Yiqiang Jiang, Yang Yao, Hongxing Yang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Since various optical factors, including sunshape and optical errors, coexist in practice, their coupling effects on the PTC’s optical performance deserve in-depth explorations. Previous studies mainly focused on individual effects of several typical optical errors or simple description of optical errors using a unified Gaussian model. Thus, this study is committed to investigating the coupling effects of multiple optical factors on the PTC’s optical performance based on the theoretically individual characterization of each optical factor. The Monte Carlo Rays Tracing method was adopted, and the effective sunshape model was established for sampling of incident rays by convolving the incident sunshape model with the specularity error model. It is revealed that larger circumsolar ratio and specularity error produced more uniform heat flux distribution on the absorber. The advantage of high optical quality reflectors in improving optical efficiency was more outstanding in clearer weather. As circumsolar ratio was more than 0.2, improving specular quality to very high degree (〈3 mrad) reduced instead the optical efficiency. When tracking error and slope error were maintained respectively less than 4 mrad and 2 mrad, the weakening of optical efficiency was limited. The optical efficiency was more sensitive to slope error than to tracking error. The offset direction along positive Y-axis caused at maximum 2.19 times increase in heat flux density than that without optical errors, which causes threat of overheating to the absorber. When alignment error and tracking error were in the opposite direction, the optical loss could be compensated, whereas that in the same direction enlarged the optical loss. The slope error weakened the compensation effect and aggravated the weakening effect.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Jeonghoon Han, Changwoo Bae, Songhwa Chae, Dukhyun Choi, Sangmin Lee, Youngsuk Nam, Choongyeop Lee〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Here we introduce the new approach to high-efficiency power generation from a salinity difference using conventional nanoporous Nafion membrane. When access areas on each side of nanoporous Nafion membrane are set to be asymmetric, the ratio of ionic current upon a voltage bias of the different polarity also becomes asymmetric, resulting in ionic diode phenomena. When this geometrical ionic diode effect is combined with a salinity gradient, it can help significantly improve the energy conversion efficiency from a salinity difference even under a hyper-saline environment with a large salinity difference, e.g. ∼41% conversion efficiency and ∼120 nW power generation with 1 M KCl and 1000-fold salinity difference, both of which are comparable with the best performances reported in the previous studies. We propose that the decrease in ion concentration polarization at a low salt concentration side is responsible for the enhanced power generation with the membrane having asymmetric access areas. Our approach is simple to implement and can be applicable to any nanoporous membrane to enhance the power generation from a salinity difference.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Jialun Chen, Ping Tong, Lingting Huang, Zhonghua Yu, Dianping Tang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉An interdigitated capacitance immunosensing system based enzymatic biocatalytic precipitation on micro-comb electrode was designed for the sensitive detection of prostate-specific antigen (PSA) by coupling Ti〈sub〉3〈/sub〉C〈sub〉2〈/sub〉 MXenes with tyramine signal amplification strategy. The immunosensor was prepared by immobilizing anti-PSA capture antibody on MXenes-coated interdigitated electrode, whereas gold nanoparticles heavily functionalized with horseradish peroxidase (HRP) and detection antibody were utilized as the signal-transducer tags. Introduction of interdigitated electrode was expected to enhance the sensitivity of capacitance immunosensor. This system mainly consisted of the sandwich-type immunoreaction, formation of tyramine-HRP repeats on gold nanoparticle and enzymatic biocatalytic precipitation. The concatenated HRP through the tyramine oxidized numerous 4-chloro-1-naphthol molecules into insoluble benzo-4-chlorohexadienone with the help of H〈sub〉2〈/sub〉O〈sub〉2〈/sub〉, and coated the modified immunosensor to keep free ions away from the electrode, thus causing the local alteration in the capacitance. Under optimum conditions, the change of the immunosensor in the capacitance increased with the increasing target PSA concentrations from 0.1 ng mL〈sup〉−1〈/sup〉 to 50 ng mL〈sup〉−1〈/sup〉 at a detection limit of 0.031 ng mL〈sup〉−1〈/sup〉. Moreover, the interdigitated capacitance immunosensor showed good reproducibility, high specificity and acceptable accuracy for the analysis of human serum specimens in comparison with those obtained from commercial human PSA ELISA kit. Importantly, Ti〈sub〉3〈/sub〉C〈sub〉2〈/sub〉 MXenes-based interdigitated capacitance transducer open new opportunities for protein diagnostics and biosecurity.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Electrochimica Acta, Volume 319〈/p〉 〈p〉Author(s): Zhixu Jian, Honglei Li, Rui Cao, Heliang Zhou, Huaizhe Xu, Guangjin Zhao, Yalan Xing, Shichao Zhang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Confining the dissolution and diffusion of polysulfide is considered a key factor in the realization of high-performance lithium-sulfur battery. Here, we report a polydopamine (pDA) coated sulfur-carbon composite with a unique hierarchical tower-like structure (S-HTC@pDA) for lithium sulfur cathode. The internal layer by layer structure is capable of uniformly dispersing of sulfur, providing a continuous electronic conductive path and shortening the Li〈sup〉+〈/sup〉 transport distance, while the external pDA coating can inhibit the diffusion of polysulfide. Benefited from the smart design, the S-HTC@pDA electrode achieved an excellent cycling stability, realizing a high discharge capacity of 916 mAh g〈sup〉−1〈/sup〉 at the first cycle and a capacity retention of 79.4% after 500 cycles at 1 C. Therefore, this work provides a new concept in structure design for high performance lithium sulfur cathodes.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉Here, we report a polydopamine (pDA) coated sulfur-carbon composite with a unique hierarchical tower-like structure (S-HTC@pDA) for lithium sulfur cathode. The internal layer by layer structure is capable of uniformly dispersing of sulfur, providing a continuous electronic conductive path and shortening the Li〈sup〉+〈/sup〉 transport distance, while the external pDA coating can inhibit the diffusion of polysulfide.〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0013468619312885-fx1.jpg" width="326" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: Available online 9 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Geochemistry〈/p〉 〈p〉Author(s): Yu Zhang, Xianghong Meng, Duoyun Wang〈/p〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The Ordos Basin is a large interior continental sedimentary basin in western China； its Mesozoic evolution was controlled by surrounding orogenic belts. To constrain the evolution of the southern Ordos Basin, four samples from the southern Ordos Basin were analyzed for U-Pb ages. Similar detrital zircon U-Pb age patterns of the samples suggest no provenance change occurred during the Middle Triassic. Detrital zircons from the samples are divided into three major groups based on their U-Pb ages: 360-250 Ma, 2000-1600 Ma and 2800-2200 Ma. The first group of zircons is consistent with Paleozoic igneous zircons from the northern margin of the North China Craton (NCC). Detrital zircons of the second and third groups are likely derived from the basement of the NCC northern margin. In the Middle Triassic, detritus from the Qinling Orogenic belt may only have reached the piedmont deep depression. The absence of the Qilian Mountain source suggests that the Ordos Basin may not have been connected with the Hexi Corridor Basin in the Middle Triassic. Combining our results with those of previous studies, we suggest that the southern borderline of the Ordos Basin may not have reached the Qinling Orogenic Belt. The northern margin of the NCC, the Qinling Orogenic Belt and the pre-Middle Triassic sedimentary rocks of the eastern NCC provided sources for the Southern Ordos Basin in the Late Triassic. The rapid uplift of the Qinling Orogenic belt occurred in the Late Triassic. This event was response to collision between the NCC and the South China Block. The deposition and evolution of the Ordos Basin were controlled by the Indosinian movement. The change in source areas for the Southern Ordos Basin was closely related to the development and evolution of the Qinling Orogenic Belt. The Qinling Orogenic Belt shows good coupling with the sedimentation and structures of the Southern Ordos Basin.〈/p〉〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Free Radical Biology and Medicine, Volume 141〈/p〉 〈p〉Author(s): Chao Wang, Yuan Yuan, Jie Wu, Yuanlin Zhao, Xing Gao, Yihua Chen, Chao Sun, Liming Xiao, Pengfei Zheng, Peizhen Hu, Zengshan Li, Zhe Wang, Jing Ye, Lijun Zhang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉While cardiac hypertrophy and heart failure are accompanied by significant alterations in energy metabolism, more than 50–70% of energy is obtained from fatty acid β-oxidation (FAO) in adult hearts under physiological conditions. Plin5 is involved in the metabolism of lipid droplets (LDs) and is highly abundant in oxidative tissues including heart, liver and skeletal muscle. Plin5 protects the storage of triglyceride (TG) in LDs by inhibiting lipolysis, thereby suppressing excess FAO and preventing excessive oxidative stress in the heart. In this study, we investigated the roles of Plin5 in cardiac hypertrophy and heart failure in mice treated with transverse aortic constriction (TAC). The results indicated that Plin5 deficiency aggravated myocardial hypertrophy in the TAC-treated mice and exacerbated the TAC-induced heart failure. We also found that Plin5 deficiency reduced the cardiac lipid accumulation and upregulated the levels of PPARα and PGC-1α, which stimulate mitochondrial proliferation. Moreover, Plin5 deficiency aggravated the TAC-induced oxidative stress. We consistently found that Plin5 knockdown disrupted TG storage and elevated FAO and lipolysis in H9C2 rat cardiomyocytes. In addition, Plin5 knockdown also provoked mitochondrial proliferation and lipotoxic injury in H9C2 cells. In conclusion, Plin5 deficiency increases myocardial lipolysis, elevates FAO and oxidative burden, and thereby exacerbates cardiac hypertrophy and heart failure in TAC-treated mice.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S089158491930471X-fx1.jpg" width="336" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: Cover illustration The Wawel Dragon above Krakow. Illustration by Apolonia Stankiewicz originally published in page 3 of Baïka magazine, issue n°14, March 2019.

Description: Tonicity‐responsive enhancer binding protein (TonEBP) is a widely expressed transcription factor and is important in the regulation of inflammatory cytokines. Here, we have identified TonEBP expression in the hypothalamus, which is particularly high in proopiomelanocortin (POMC) neurons. TonEBP overexpression stimulates POMC transcription, and TonEBP haploinsufficiency in TonEBP (+/−) mice results in a decrease in hypothalamic POMC expression. TonEBP (+/−) mice show reduced sickness responses, which include anorexia and hyperthermia, that are initially induced by tumor necrosis factor (TNF)‐α. TonEBP (+/−) mice also show lower levels of TNF‐α‐induced hypothalamic expression of POMC and pro‐inflammatory cytokines. These results suggest that TonEBP is an important molecular regulator in the development of inflammatory sickness responses through the control of POMC and pro‐inflammatory cytokine expression in the hypothalamus.

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Crystal Growth, Volume 523〈/p〉 〈p〉Author(s): Yuichiro Hayashi, Takeshi Mitani, Naoyoshi Komatsu, Tomohisa Kato, Hajime Okumura〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We investigated the surface roughening in 4H-SiC solution growth from the following two aspects: the roughening of the seed surface before seeding and the roughening caused by the adhesion of SiC particles during growth. First, we investigated the morphological changes of the seed surface before and after the melt-back process. The seed surface just before seeding was covered with macrosteps and 6H-SiC hillocks with a height of several micrometers. This surface roughening was caused by condensation of droplets of vaporized solvent on the seed surface. We found that the 6H-SiC hillocks were the origins of trench defects. The melt-back process completely removed the hillocks and produced a smooth surface adequate for successive bulk growth. Second, we investigated surface roughening caused by the formation of SiC particles. The adhesion of SiC particles on the growth surface introduced trench defects and polytype inclusions. The adhesion of SiC particles was suppressed by controlling the distribution of carbon supersaturation in the solvent.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Gene Regulatory Mechanisms, Volume 1862, Issue 8〈/p〉 〈p〉Author(s): Ruifan Wu, Guanqun Guo, Zhen Bi, Youhua Liu, Yuanling Zhao, Nana Chen, Fengqin Wang, Yizhen Wang, Xinxia Wang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉〈em〉N〈/em〉〈sup〉6〈/sup〉-methyladenosine (m〈sup〉6〈/sup〉A), the most abundant internal mRNA modification in eukaryotes, plays a vital role in regulating adipogenesis. However, its underlying mechanism remains largely unknown. Here, we reveal that deletion of m〈sup〉6〈/sup〉A demethylase FTO in porcine and mouse preadipocytes inhibits adipogenesis through JAK2-STAT3-C/EBPβ signaling. Mechanistically, FTO deficiency suppresses JAK2 expression and STAT3 phosphorylation, leading to attenuated transcription of C/EBPβ, which is essential for the early stage of adipocyte differentiation. Using dual-luciferase assay, we validate that knockdown of FTO reduces expression of JAK2 in an m〈sup〉6〈/sup〉A-dependent manner. Furthermore, we find that m〈sup〉6〈/sup〉A “reader” protein YTHDF2 directly targets m〈sup〉6〈/sup〉A-modified transcripts of JAK2 and accelerates mRNA decay, which results in decreased JAK2 expression and inactivated JAK2-STAT3-C/EBPβ signaling, thereby inhibiting adipogenesis. Collectively, our results provide a novel insight into the molecular mechanism of m〈sup〉6〈/sup〉A methylation in post-transcriptional regulation of JAK2-STAT3-C/EBPβ signaling axis and highlight the crucial role of m〈sup〉6〈/sup〉A modification and its modulators in adipogenesis.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Biomembranes, Volume 1861, Issue 8〈/p〉 〈p〉Author(s): 〈/p〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, Volume 1865, Issue 10〈/p〉 〈p〉Author(s): Tomonaga Ichikawa, Shingo Nakahata, Masahiro Fujii, Hidekatsu Iha, Kazuya Shimoda, Kazuhiro Morishita〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉N-myc downstream-regulated gene 2 (NDRG2) is a candidate tumor suppressor that is frequently downregulated in adult T-cell leukemia/lymphoma (ATLL) and functions to negatively regulate several cellular signaling pathways as PP2A recruiter. To clarify the molecular mechanisms of suppression of NDRG2 expression, we initially determined the expression pattern of NDRG2 in various types of T-cells and ATLL cells. NDRG2 expression was significantly upregulated in HTLV-1/Tax-immortalized T-cells, which was mediated by NF-κB activation through Tax expression. On the other hand, NDRG2 expression was suppressed in HTLV-1-infected cell lines and various types of ATLL cells, which was dependent on the DNA methylation of the NDRG2 promoter. We found that the expression of enhancer of zeste homolog 2 (EZH2), a member of the polycomb family, is increased in ATLL, and that EZH2 directly binds to the NDRG2 promoter and induces DNA methylation of the NDRG2 promoter. Since the expression of EZH2 were anti-parallelly regulated with the NDRG2 expression, EZH2 might be one of the most important regulators of the downregulation of NDRG2, contributing to enhanced activation of signaling pathways during ATLL development.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Biomembranes, Volume 1861, Issue 9〈/p〉 〈p〉Author(s): Mariafrancesca Scalise, Michele Galluccio, Lorena Pochini, Jessica Cosco, Miriam Trotta, Manuele Rebsamen, Giulio Superti-Furga, Cesare Indiveri〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The lysosomal amino acid transporter SLC38A9 is referred to as transceptor, i.e. a transporter with a receptor function. The protein is responsible for coupling amino acid transport across the lysosomal membrane according to the substrate availability to mTORC1 signal transduction. This process allows cells to sense amino acid level responding to growth stimuli in physiological and pathological conditions triggering mTOR regulation. The main substrates underlying this function are glutamine and arginine. The functional and kinetic characterization of glutamine and arginine transport was performed using human SLC38A9 produced in 〈em〉E. coli〈/em〉, purified by affinity chromatography and reconstituted in liposomes. A cooperative behaviour for the wild type protein was revealed for both the substrates. A novel Na〈sup〉+〈/sup〉 binding site, namely T453, was described by combined approaches of bioinformatics, site-directed mutagenesis and transport assay. Stimulation by cholesterol of glutamine and arginine transport was observed. The biological function of SLC38A9 relies on the interaction between its N-terminus and components of the mTOR complex; a deletion mutant of the N-terminus tail was produced and transport of glutamine was assayed revealing that this portion does not play any role in the intrinsic transport function of the human SLC38A9. Different features for glutamine and arginine transport were revealed: human SLC38A9 is competent for glutamine efflux, while that of arginine is negligible. In line with these results, imposed ∆pH stimulated glutamine, not arginine transport. Arginine plays, on the contrary, a modulatory function and is able to stimulate glutamine efflux. Interestingly, reciprocal inhibition experiments also supported by bioinformatics, suggested that glutamine and arginine may bind to different sites in the human SLC38A9 transporter.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉Proteoliposome reconstitution of hSLC38A9 WT and mutants.〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0005273619301567-ga1.jpg" width="301" alt="Unlabelled Image" title="Unlabelled Image"〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - General Subjects, Volume 1863, Issue 9〈/p〉 〈p〉Author(s): 〈/p〉

Description: 〈p〉Publication date: 3 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochemical and Biophysical Research Communications, Volume 516, Issue 4〈/p〉 〈p〉Author(s): Shuangdong Chen, Yixiao Gu, Qinxue Dai, Yanshu He, Junlu Wang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Sirtuin1 (SIRT1), which is regulated by microRNA-34a (miR-34a), can modulate pathophysiology processes, including nonalcoholic fatty liver disease and intestinal ischemia/reperfusion injury. We previously reported that SIRT1, an NAD〈sup〉+〈/sup〉-dependent deacetylase, plays a vital role in the development of neuropathic pain. However, the role of miR-34a/SIRT1 in complete Freund's adjuvant (CFA)-induced inflammatory pain remains unclear. In the present study, we examined miR-34a and SIRT1 in CFA mice. MiR-34a levels increased, while SIRT1 decreased in the spinal cord. Inhibiting miR-34a by intrathecal injection of miR-34a antagomir attenuated CFA-induced pain behavior. Moreover, miR-34a antagomir inhibited the CFA-induced SIRT1 decrease in the spinal cord. Furthermore, the analgesic effect of miR-34a antagomir was abrogated by the SIRT1 inhibitor EX-527. Our data provide support that the underlying mechanisms of miR-34a in promoting inflammatory pain may involve negative regulation of SIRT1.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Biochimica et Biophysica Acta (BBA) - Biomembranes, Volume 1861, Issue 9〈/p〉 〈p〉Author(s): Oumaima Et-Thakafy, Fanny Guyomarc'h, Christelle Lopez〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The biological membrane surrounding milk fat globules (MFGM) exhibits lateral phase separation of lipids, interpreted as gel or liquid-ordered phase sphingomyelin-rich (milk SM) domains dispersed in a fluid continuous lipid phase. The objective of this study was to investigate whether changes in the phase state of milk SM-rich domains induced by temperature (T 〈 Tm or T 〉 Tm) or cholesterol affected the Young modulus of the lipid membrane. Supported lipid bilayers composed of MFGM polar lipids, milk SM or milk SM/cholesterol (50:50 mol) were investigated at 20 °C and 50 °C using atomic force microscopy (AFM) and force spectroscopy. At 20 °C, gel-phase SM-rich domains and the surrounding fluid phase of the MFGM polar lipids exhibited Young modulus values of 10–20 MPa and 4–6 MPa, respectively. Upon heating at 50 °C, the milk SM-rich domains in MFGM bilayers as well as pure milk SM bilayers melted, leading to the formation of a homogeneous membrane with similar Young modulus values to that of a fluid phase (0–5 MPa). Upon addition of cholesterol to the milk SM to reach 50:50 mol%, membranes in the liquid-ordered phase exhibited Young modulus values of a few MPa, at either 20 or 50 °C. This indicated that the presence of cholesterol fluidized milk SM membranes and that the Young modulus was weakly affected by the temperature. These results open perspectives for the development of milk polar lipid based vesicles with modulated mechanical properties.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0005273619301555-ga1.jpg" width="317" alt="Unlabelled Image" title="Unlabelled Image"〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 16 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Tetrahedron, Volume 75, Issue 33〈/p〉 〈p〉Author(s): Mathilde Pantin, Florent Bodinier, Jordan Saillour, Yassine M. Youssouf, Fabien Boeda, Morwenna S.M. Pearson-Long, Philippe Bertus〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉A convenient access to 2-hydroxycyclopentenones was designed from acylcyanohydrins, by using titanacyclopropane complexes as nucleophilic partners and an intramolecular aldol condensation in basic conditions. The development of a one-pot procedure allows a step- and atom-economic process, and the use of Grignard reagents other than ethylmagnesium bromide provided valuable 3,4-disubstituted 2-hydroxycyclopentenones. The utility of the hydroxy group was illustrated by further functionalization of the α-position using palladium-mediated cross-coupling reactions.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0040402019307525-fx1.jpg" width="500" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 1 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Computer Methods in Applied Mechanics and Engineering, Volume 355〈/p〉 〈p〉Author(s): Jean-Lou Pfister, Olivier Marquet, Marco Carini〈/p〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The stability analysis of elastic structures strongly coupled to incompressible viscous flows is investigated in this paper, based on a linearization of the governing equations formulated with the Arbitrary-Lagrangian–Eulerian method. The exact linearized formulation, previously derived to solve the unsteady non-linear equations with implicit temporal schemes, is used here to determine the physical linear stability of steady states. Once discretized with a standard finite-element method based on Lagrange elements, the leading eigenvalues/eigenmodes of the linearized operator are computed for three configurations representative for classical fluid–structure interaction instabilities: the vortex-induced vibrations of an elastic plate clamped to the rear of a rigid cylinder, the flutter instability of a flag immersed in a channel flow and the vortex shedding behind a three-dimensional plate bent by the steady flow. The results are in good agreement with instability thresholds reported in the literature and obtained with time-marching simulations, at a much lower computational cost. To further decrease this computational cost, the equations governing the solid perturbations are projected onto a reduced basis of free-vibration modes. This projection allows to eliminate the extension perturbation, a non-physical variable introduced in the ALE formalism to propagate the infinitesimal displacement of the fluid–solid interface into the fluid domain.〈/p〉〈/div〉

Description: 〈p〉Publication date: July–August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Materials Today, Volume 27〈/p〉 〈p〉Author(s): Laurie Donaldson〈/p〉

Description: 〈p〉Publication date: 1 November 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Materials Letters, Volume 254〈/p〉 〈p〉Author(s): Zhi-Hu Wang, Hong-Wei He, Guo-Sai Liu, Xu Yan, Xin Ning, Yun-Ze Long〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In conventional electrospinning (e-spinning) process, the curing mechanism can be attributed to the volatilization of solvent or the melt cooling of the jets, which were merely physical processes. To develop novel e-spinning curing mechanism, we propose a conjugate e-spinning one, in which the e-spinning precursors, solution A containing some active monomers, oxidant and solution B containing reductant, are loaded into two different syringes connected with opposite high voltage supplier, respectively. The opposite charged jets attract each other and then meet when flying from spinneret tip to collector. The redox reaction occurs when two jets meet and radicals are produced in situ which can initiate polymerization of active monomers. Then the conjugate jets solidify into fibers under reaction curing mechanism. The new method may give a new approach to produce composite functional fibers.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉 〈p〉Two solutions containing oxidant and reductant, respectively are electrospun into fibers via a conjugate electrospinning process under a reaction curing mechanism.〈/p〉 〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0167577X19309954-ga1.jpg" width="271" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): J.Y. Oh, Tien M. Le, A.T. Pham, D.H. Tran, D.S. Yang, B. Kang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this work, we investigated a correlation between superconductivity and interlayer coupling of two different alkaline (Na and K)-substituted Bi〈sub〉1·6〈/sub〉Pb〈sub〉0·4〈/sub〉Sr〈sub〉2〈/sub〉Ca〈sub〉2〈/sub〉Cu〈sub〉3〈/sub〉O〈sub〉10+δ〈/sub〉 (BSCCO) polycrystalline samples. The excess conductivity analysis by the Aslamazov-Larkin (AL) and Lawrence-Doniach (LD) theories showed that Na substitution at the Ca site induced a gradual broadening of 3D fluctuation region with increasing interlayer coupling strength, which explains a systematic increase of 〈em〉T〈/em〉〈sub〉〈em〉c〈/em〉〈/sub〉 and a decrease of normal state resistivity. On the other hand, exactly the opposite results were observed in the K-substituted samples in place of Sr. Extended x-ray absorption fine structure (EXAFS) studies revealed that substitution of Na and K generated completely different effects on the local structure around Cu atoms. It is noticeable that the Cu–O bond distance was found to decrease monotonically with the varying amounts of Na, which indicates that the CuO〈sub〉2〈/sub〉 layer is stabilized. On the while, the opposite was observed to occur with the varying amounts of K. Unlike the Cu–Ca bond which was the least affected by the substitution, the Cu–Sr bond distance increased drastically with K substitution. All these findings indicate that Na substitution at the Ca site enhances superconductivity with no loss of interlayer interaction, while K substitution at the Sr site weakens superconductivity due to the diminished interlayer interaction.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Moara M. Castro, Shima Sabbaghianrad, Pedro Henrique R. Pereira, Eric M. Mazzer, Augusta Isaac, Terence G. Langdon, Roberto B. Figueiredo〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉A magnesium/aluminium composite was produced by room temperature consolidation through high-pressure torsion (HPT) processing. Half-discs of the pure metals were placed side-by-side and subjected to different numbers of turns. The initially reduced interface between the phases gradually increased with increasing rotation. The composite displayed a significant ductility even after 10 turns. The distribution of hardness in the HPT-processed discs was bi-modal in the early stages of processing. As the number of turns increased and the thickness of the phases decreased there was a noticeable increase in hardness. The hardness values of the composite further increased after thermal treatment due to the formation of intermetallics within the interface between the magnesium and aluminium-rich phases.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Lipeng Xu, Fei Zhou, Jizhou Kong, Haobin Zhou, Qian Zhang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The effects of testing temperature on the electrochemical properties of Li(Ni〈sub〉0.6〈/sub〉Mn〈sub〉0.2〈/sub〉Co〈sub〉0.2〈/sub〉)O〈sub〉2〈/sub〉 are investigated in detail. When the testing temperature is 40 °C, the Li(Ni〈sub〉0.6〈/sub〉Mn〈sub〉0.2〈/sub〉Co〈sub〉0.2〈/sub〉)O〈sub〉2〈/sub〉 cathode material possesses the highest initial discharge capacity of 162.4 mAh·g〈sup〉−1〈/sup〉 at 0.5C rate, but their cycling stability decreases markedly. When the test temperature rises up to 60 °C, the side reaction between electrolyte and cathode material becomes serious, and the Li(Ni〈sub〉0.6〈/sub〉Mn〈sub〉0.2〈/sub〉Co〈sub〉0.2〈/sub〉)O〈sub〉2〈/sub〉 cannot work. When the testing temperature decreases, the electrochemical impedances like R〈sub〉ct〈/sub〉 values increase, and then the discharge capacity at 0 °C, −10 °C and −20 °C is only 80%, 53% and 23% of that at 25 °C. Based on the electrochemical impedance spectra at different temperatures, four kinds of equivalent circuit models are classified. The cycle and rate performance of Li(Ni〈sub〉0.6〈/sub〉Mn〈sub〉0.2〈/sub〉Co〈sub〉0.2〈/sub〉)O〈sub〉2〈/sub〉 cathode material could be improved obviously through Ti〈sub〉3〈/sub〉C〈sub〉2〈/sub〉(OH)〈sub〉2〈/sub〉 modification in an extreme environment, and especially in sub-zero environment.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: November 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Materials Processing Technology, Volume 273〈/p〉 〈p〉Author(s): 〈/p〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Kenji Yoshii, Naoshi Ikeda〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Dielectric and magnetocaloric measurements are carried out for the chromite TmCrO〈sub〉3〈/sub〉. This oxide was reported to be multiferroic below the Néel temperature (〈em〉T〈/em〉〈sub〉N〈/sub〉) of ∼125 K, likely due to a structural transformation. The dielectric response shows large dielectric constants below 300 K. However, from the analyses of loss tangent, AC conductivity and dielectric modulus, this behavior is rooted in hopping of charge carriers rather than electric dipoles, as proposed for some other chromites. No dielectric anomaly is found at 〈em〉T〈/em〉〈sub〉N〈/sub〉. The magnetocaloric effect shows that the magnetic transitions at 〈em〉T〈/em〉〈sub〉N〈/sub〉 as well as the spin reorientation temperature are of a second order. This result strongly suggests the absence of magnetostructural transition at 〈em〉T〈/em〉〈sub〉N〈/sub〉 in accord with no observation of ferroelectric transition at this temperature.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Rattiya Hongtong, Panya Thanwisai, Rattakarn Yensano, Jeffrey Nash, Sutham Srilomsak, Nonglak Meethong〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Core-shell olivine-type electrospun and doped LiFePO〈sub〉4〈/sub〉/FeS/C composite fibers were synthesized via a single-step process employing an electrospinning method using LiOH·H〈sub〉2〈/sub〉O, metal sul phates, H〈sub〉3〈/sub〉PO〈sub〉4〈/sub〉, citric acid, and polyvinylpyrrolidone (PVP) as the starting materials. Electron microscopy studies showed that the mean diameter of the core-shell composite fibers was about 280 ± 20 nm with a LiFePO〈sub〉4〈/sub〉 phase forming a core with a diameter of about 100 ± 20 nm and a carbon shell with a thickness of 80 ± 20 nm. An FeS phase was formed by a direct reduction of iron (II) sulfate (FeSO〈sub〉4〈/sub〉) that was evenly distributed within the core region of the composite fibers and further improved the electronic conductivity of the fibers. Na〈sup〉1+〈/sup〉, Mg〈sup〉2+〈/sup〉, and Al〈sup〉3+〈/sup〉 doping ions affected fiber morphology and electrochemical performance. All composite fibers showed excellent electrochemical performance. However, Al〈sup〉3+〈/sup〉 ions improved the electrochemical performance of the composite fibers to a significantly greater degree than Na〈sup〉1+〈/sup〉 and Mg〈sup〉2+〈/sup〉 doping ions, increasing the electronic and ionic conductivities of the material while maintaining their core-shell composite fiber characteristics.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉Electrospun LiFePO〈sub〉4〈/sub〉/FeS/C and 5% doped 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"〉〈mrow〉〈mi〉L〈/mi〉〈mi〉i〈/mi〉〈mi〉F〈/mi〉〈msubsup〉〈mrow〉〈mi〉e〈/mi〉〈/mrow〉〈mrow〉〈mn〉1〈/mn〉〈mo linebreak="badbreak"〉−〈/mo〉〈mrow〉〈mo stretchy="false"〉(〈/mo〉〈mi〉n〈/mi〉〈mi〉x〈/mi〉〈mo linebreak="badbreak"〉/〈/mo〉〈mn〉2〈/mn〉〈mo stretchy="false"〉)〈/mo〉〈/mrow〉〈/mrow〉〈mrow〉〈mn〉2〈/mn〉〈mo linebreak="badbreak"〉+〈/mo〉〈/mrow〉〈/msubsup〉〈msubsup〉〈mrow〉〈mi〉M〈/mi〉〈/mrow〉〈mrow〉〈mi〉x〈/mi〉〈/mrow〉〈mrow〉〈mi〉n〈/mi〉〈mo linebreak="badbreak"〉+〈/mo〉〈/mrow〉〈/msubsup〉〈mi〉P〈/mi〉〈msub〉〈mrow〉〈mi〉O〈/mi〉〈/mrow〉〈mrow〉〈mn〉4〈/mn〉〈/mrow〉〈/msub〉〈/mrow〉〈/math〉/FeS/C (M = Na〈sup〉1+〈/sup〉, Mg〈sup〉2+〈/sup〉, Al〈sup〉3+〈/sup〉) composites with a unique core-shell structure were synthesized via a simple single-step process to improved electrochemical properties for high performance and low cost Li-ion batteries.〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0925838819324946-fx1.jpg" width="287" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): L.V.B. Diop, O. Isnard〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The effects of Fe substitution on the structural and magnetic properties of the HoCo〈sub〉12-〈em〉x〈/em〉〈/sub〉Fe〈sub〉〈em〉x〈/em〉〈/sub〉B〈sub〉6〈/sub〉 (0 ≤ 〈em〉x〈/em〉 ≤ 2) series of intermetallic compounds have been studied. All of the compounds form in the rhombohedral SrNi〈sub〉12〈/sub〉B〈sub〉6〈/sub〉-type structure, the lattice constants increasing linearly with 〈em〉x〈/em〉. These compounds are ferrimagnets with a small transition metal magnetic moment and exhibit a spin reorientation transition. The Curie temperature decreases from 147 K for 〈em〉x〈/em〉 = 0–105 K for 〈em〉x〈/em〉 = 2. The Fe for Co substitution leads also to a progressive decrease of the spontaneous magnetization. The spin reorientation transition temperature is significantly reduced upon Fe for Co substitution whereas the compensation temperature is much less sensitive to the Fe composition.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 1 September 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Acta Materialia, Volume 176〈/p〉 〈p〉Author(s): Hoheok Kim, Tatsuki Yamamoto, Yushi Sato, Junya Inoue〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We investigate the viability of establishing low-cost surrogate structure-property (S–P) linkages by introducing a Bayesian model selection method to extend the Materials Knowledge Systems (MKS) homogenization framework, which employs the n-point spatial correlation function, principal component analysis, and regression techniques. In particular, we place emphasis not only on choosing the important structural features but also on interpreting their implications for the property under consideration. First, the yield strengths of synthetic microstructures with various morphological characteristics are estimated by physics-based crystal plasticity simulation. Then, the dimension-reduced microstructural features are revealed by a combination of 2-point spatial correlations and principal component analysis. The Bayesian model selection method is further applied to establish a microstructure-to-yield-strength surrogate model. Finally, the model is validated with an independent dataset and its constituent features are interpreted with a morphology reconstruction based on a Monte Carlo algorithm. The method is found to be capable of interpreting the key microstructural features as well as modeling the mechanical response of a dual-phase metallic composite in consideration of the diverse microstructural factors.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S1359645419304367-fx1.jpg" width="274" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉

Description: 〈p〉Publication date: 5 January 2020〈/p〉 〈p〉〈b〉Source:〈/b〉 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 224〈/p〉 〈p〉Author(s): Hayam M. Lotfy, Sarah S. Saleh, Christine M. El-Maraghy〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉An analytical investigation was carried out to study the treatment and amplification of the spectral signals produced by critical concentrations with high accuracy and precision using two advanced approaches. The factorized-spectrum approach was applied through two novel methods which were: absorptivity centering technique via both: factorized zero order absorption spectrum (ACT-FSD〈sup〉0〈/sup〉〈sub〉∆A〈/sub〉) and factorized ratio spectrum (ACT-FSR〈sub〉∆P〈/sub〉). The proposed methods were found to be linear in the ranges of (15–100 μg/mL) and (3–40 μg/mL) for ASP and MTO, respectively. Those methods were compared to the methods following the geometrical standard addition approach: ratio H-point standard addition method (RHPSAM) and geometrical induced amplitude modulation (GIAM). The approaches were applied for the determination of the minor component metoclopramide in its mixture with the major component aspirin in the challengeable ratio of (1,90) respectively in a white multicomponent system. The results obtained from the proposed approaches were statistically compared with each other. The methods were validated according to ICH guidelines where the results were found to be within the acceptable limits. The methods were found to be accurate and reliable for the determination of metoclopramide critical concentration besides aspirin concentration. The results of single factor ANOVA analysis indicated that there is no significant difference among the developed methods. These methods provided simple resolution of this binary combination from synthetic mixtures and pharmaceutical preparation and can be conveniently adopted for routine quality control analysis.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S1386142519307292-ga1.jpg" width="325" alt="Unlabelled Image" title="Unlabelled Image"〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: 5 October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Journal of Alloys and Compounds, Volume 804〈/p〉 〈p〉Author(s): Maxim S. Likhanov, Vladislav O. Zhupanov, Valeriy Yu Verchenko, Andrei A. Gippius, Sergei V. Zhurenko, Alexey V. Tkachev, Dina I. Fazlizhanova, David Berthebaud, Andrei V. Shevelkov〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We present a new Fe〈sub〉1–〈em〉x〈/em〉〈/sub〉Re〈sub〉〈em〉x〈/em〉〈/sub〉Ga〈sub〉3〈/sub〉 solid solution, in which a 5〈em〉d〈/em〉-metal––rhenium––partially substitutes for iron to the limiting composition of 〈em〉x〈/em〉 = 0.10. The crystal structure refined for the composition Fe〈sub〉0.91〈/sub〉Re〈sub〉0.09〈/sub〉Ga〈sub〉3〈/sub〉 shows the expected increase in the unit cell parameters compared to the parent FeGa〈sub〉3〈/sub〉 compound, however the M–M (M = Fe, Re) distance decreases within the M–M dumbbell, indicating an increased M–M bonding density. Therein, investigation of the local structure by means of 〈sup〉69,71〈/sup〉Ga NQR spectroscopy revealed the formation of homonuclear Fe–Fe and Re–Re dumbbells. Transport and thermoelectric properties have been investigated for the Re-substituted FeGa〈sub〉3〈/sub〉. Electrical transport measurements showed preservation of the nonmetallic conductivity of Fe〈sub〉1–〈em〉x〈/em〉〈/sub〉Re〈sub〉〈em〉x〈/em〉〈/sub〉Ga〈sub〉3〈/sub〉 despite the decrease of the valence electron concentration from 17 to 16.9 electrons per formula. At low temperatures, Fe〈sub〉1–〈em〉x〈/em〉〈/sub〉Re〈sub〉〈em〉x〈/em〉〈/sub〉Ga〈sub〉3〈/sub〉 is a 〈em〉p〈/em〉-type semiconductor with the band gap of 0.4 eV, but with increasing temperature the sign of the dominant charge carriers changes. Owing to the alloying effect, Fe〈sub〉1–〈em〉x〈/em〉〈/sub〉Re〈sub〉〈em〉x〈/em〉〈/sub〉Ga〈sub〉3〈/sub〉 displays 1.5 times lower thermal conductivity than FeGa〈sub〉3〈/sub〉, which increases at high temperatures because of the growing contribution of the electronic term.〈/p〉〈/div〉 〈/div〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0925838819325198-fx1.jpg" width="454" alt="Image 1" title="Image 1"〉〈/figure〉〈/p〉〈/div〉