bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of All Solid Li-Air Battery
Authors: Park Jung Ock , Kim Mokwon , Lee Heung Chan , Kwon Hyuk Jae , Ma Sang Bok , Lee Hyunpyo , Im Dongmin
Published: February 2020

The Li–Air battery converts the electrochemical reactions of lithium and O2 into electrical energy and has been receiving attention as the next generation battery because of its high theoretical specific energy of 3400 Wh kg-1. The high specific energy of the Li–Air battery can be attributed to the reaction in the cathode where only Li and O2 are needed, and it is an order of magnitude higher than that of the future generation Li ion battery that is predicted to reach at most 400 Wh kg-1. In the cathode, the carbon particles are used to provide electron conductivity as well as the surface area for the reactions, and the electrolytes are necessary to transport Li+ ions between the anode and cathode [1]. The pore distribution of the cathode is reported to influence the capacity [2], and the lifetime of the battery is reported to be limited by the stability of electrolyte [3]. To ensure higher stability against the oxidative conditions, the ionic liquid-based electrolytes are often used [4]. However, even the ionic liquid is known to decompose at the oxidative environment of the Li-Air battery operation conditions. To increase the cycle lifetime of the Li-Air battery, more stable form of electrolyte in cathode is desired.

By constructing an all solid Li-Air battery which consists of Li metal, solid electrolyte, and oxide cathode, the source of cathode degradation can be greatly reduced by eliminating the liquid electrolyte and carbon in the cathode. The oxide material which showed both electronic and ionic conductivity in the order of 10-4 S/cm was used as the cathode. The cathode material was ball milled to obtain sub-micron sized particles and the surface area in the order of 10 m2/g. The cathode was coated to obtain a 10 μm cathode layer, and the layer was sintered onto a LATP (Lithium aluminum titanium phosphate) electrolyte layer. The Li metal was then attached to the cathode/electrolyte to form an all solid Li-Air battery. To operate the Li-Air battery, the Li metal was isolated from the O2 environment to which the cathode was exposed. The performance of the battery was evaluated in a O2 filled chamber which had the relative humidity up to 100%. The discharge and charge curves were analyzed to evaluate the feasibility and the cycle lifetime of the all solid Li-Air battery. The composition of the discharge product and the possible reaction mechanism will be presented. The strategy to increase the specific energy and cycle lifetime of the battery will be also discussed.

[1] D. Aurbach, B. D. McCloskey, L. F. Nazar and P. G. Bruce, Nat
.
Energy
, 2016, 1, 1–11.

[2] N. Ding, S. W. Chien, T. S. A. Hor, R. Lum, Y. Zong and Z. Liu, J. Mater. Chem. A
, 2014, 2, 12433–12441.

[3] S. A. Freunberger, Y. Chen, Z. Peng, J. M. Griffin, L. J. Hardwick, F. Barde, P. Novak and P. G. Bruce, J. Am. Chem. Soc., 2011, 133, 8040–8047.

[4] N. Mozhzhukhina, A. Y. Tesio, L. P. Mendez De Leo and E. J. Calvo, J. Electrochem. Soc., 2017, 164, A518–523.
Biallelic loss‐of‐function variants in RBL2 in siblings with a neurodevelopmental disorder
Authors: Brunet Theresa , Radivojkov‐Blagojevic Milena , Lichtner Peter , Kraus Verena , Meitinger Thomas , Wagner Matias
Published: February 2020

The RBL2 locus has been associated with intelligence and educational attainment but not with a monogenic disorder to date. RBL2 encodes p130, a member of the retinoblastoma protein family, which is involved in mediating neuron survival and death. Previous studies on p130 knockout mice revealing embryonic death and impaired neurogenesis underscore the importance of RBL2 in brain development. Exome sequencing in two siblings with severe intellectual disability, stereotypies and dysmorphic features identified biallelic loss‐of‐function variants c.556C>T, p.(Arg186Ter) and a deletion of exon 13–17 in RBL2 (NM_005611.3), establishing RBL2 as a candidate gene for an autosomal recessive neurodevelopmental disorder.
Neural observer‐based small fault detection and isolation for uncertain nonlinear systems
Authors: Abid Walid , Krifa Abdelkader , Liouane Noureddine
Published: February 2020

Small faults (some weak faults with a tiny magnitude) are difficult to detect and may cause severe problems leading to degrading the system performance. This paper proposes an approach to estimate, detect, and isolate small faults in uncertain nonlinear systems subjected to model uncertainties, disturbances, and measurement noise. A robust observer is developed to alleviate the lack of full state measurement. Using the estimated state, a dynamical radial basis function neural networks observer is designed in form of LMI problem to accurately learn the function of the inseparable mixture between modeling uncertainty and the small fault. By exploiting the knowledge obtained by the learning phase, a bank of observers is constructed for both normal and fault modes. A set of residues is achieved by filtering the differences between the outputs of the bank of observers and the monitored system output. Due to the noise dampening characteristics of the filters and according to the smallest residual principle, the small faults can be detected and isolated successfully. Finally, rigorous analysis is performed to characterize the detection and isolation capabilities of the proposed scheme. Simulation results are used to prove the efficacy and merits of the proposed approach.
On Court Review of the Arbitrator's Decision: A Look at the United States from Europe
Authors: Samuel Adam
Published: February 2020

How much review?
Homolytic versus Heterolytic Hydrogen Evolution Reaction Steered by a Steric Effect
Authors: Guo Xiaojun , Wang Ni , Li Xialiang , Zhang Zongyao , Zhao Jianping , Ren Wanjie , Ding Shuping , Xu Gelun , Li Jianfeng , Apfel Ulf‐Peter , Zhang Wei , Cao Rui
Published: February 2020

Several H−H bond forming pathways have been proposed for the hydrogen evolution reaction (HER). Revealing these HER mechanisms is of fundamental importance for the rational design of catalysts and is also extremely challenging. Now, an unparalleled example of switching between homolytic and heterolytic HER mechanisms is reported. Three nickel(II) porphyrins were designed and synthesized with distinct steric effects by introducing bulky amido moieties to ortho‐ or para‐positions of the meso‐phenyl groups. These porphyrins exhibited different catalytic HER behaviors. For these Ni porphyrins, although their 1e‐reduced forms are active to reduce trifluoroacetic acid, the resulting Ni hydrides (depending on the steric effects of porphyrin rings) have different pathways to make H2. Understanding HER processes, especially controllable switching between homolytic and heterolytic H−H bond formation pathways through molecular engineering, is unprecedented in electrocatalysis.
Harnessing Plasticity in an Amine‐Borane as a Piezoelectric and Pyroelectric Flexible Film
Authors: Zhang Yan , Hopkins Margaret A. , Liptrot David J. , Khanbareh Hamideh , Groen Pim , Zhou Xuefan , Zhang Dou , Bao Yinxiang , Zhou Kechao , Bowen Chris R. , Carbery David R.
Published: February 2020

We demonstrate that trimethylamine borane can exhibit desirable piezoelectric and pyroelectric properties. The material was shown to be able operate as a flexible film for both thermal sensing, thermal energy conversion and mechanical sensing with high open circuit voltages (>10 V). A piezoelectric coefficient of d33≈10–16 pC N−1, and pyroelectric coefficient of p≈25.8 μC m−2 K−1 were achieved after poling, with high pyroelectric figure of merits for sensing and harvesting, along with a relative permittivity of
6.3.
Recent Advances in the Construction of Trifluoromethyl‐Containing Spirooxindoles through Cycloaddition Reactions
Authors: Gui Hou‐Ze , Wei Yin , Shi Min
Published: February 2020

The spirooxindole unit is one of the most widely investigated compound skeletons existing in numerous natural and pharmaceutical molecules. Thus, a large number of synthetic methodologies have already been reported to construct such a core structure. The trifluoromethyl group is another privileged unit in organic chemistry. The introduction of a CF3 group to an organic framework can significantly improve the properties of the molecule. In this context, an efficient approach for the construction of trifluoromethyl‐containing spirooxindoles becomes a promising research direction among communities of industry and academia. In this Minireview, recent advances in the construction of trifluoromethyl‐containing spirooxindoles have been summarized and discussed. In addition, representative synthetic methodologies and the corresponding reaction mechanisms have been described as well.
Trimetallic Spinel‐Type Cobalt Nickel‐Doped Manganese Oxides as Bifunctional Electrocatalysts for Zn‐Air Batteries
Authors: Kosasang Soracha , Gatemala Harnchana , Ma Nattapol , Chomkhuntod Praeploy , Sawangphruk Montree
Published: February 2020

This work demonstrates the effect of trimetallic and bimetallic electrocatalysts of spinel‐type metal oxides towards oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The trimetallic spinel‐type Co0.5Ni0.5Mn2O4 shows higher bifunctional electrocatalytic activity towards ORR and OER than bimetallic oxides such as CoMn2O4 and NiMn2O4. The in situ X‐ray absorption spectroscopy was applied to observe the change in the oxidation number of Mn, Ni, and Co during the reactions to demonstrate the active metals on the ORR and OER. The Co plays a more important role in the ORR process than the Ni and Mn, while the three metals exhibit an equivalent contribution on the OER activity as observed from the oxidation state shift. Additionally, the practicality of Zn‐air batteries using the trimetallic spinel catalyst is demonstrated to power light‐emitting diode and spinning motor with a nominal voltage of 3 V. Bifunctional trimetallic electrocatalysts in this work may be useful for other metal‐air batteries.
Brain–computer interface for assessment of mental efforts in e‐learning using the nonmarkovian queueing model
Authors: Balamurugan B. , Mullai M. , Soundararajan S. , Selvakanmani S. , Arun D.
Published: February 2020

The rapid advancement in information and communication technology has made e‐learning an alternative learning method for many learners. In the last few years, a huge number of learners around the world have registered in massive open online courses (MOOCs) provided by various online learning platforms. However, MOOC platforms have a vital task for the online course provider to provide enhanced students' learning experiences and satisfaction. In this work, we developed a brain–computer interface for gathering data and detecting a learner's mental situation by observing MOOC videos and electroencephalogram (EEG) devices based on John Sweller's Cognitive Load Theory. The acquired EEG signals are preprocessed with two different normalization methods to scale signals. To validate the introduced framework, the system adopted three machine learning algorithms (random forest using non‐Markovian model, support vector machine, and k‐nearest neighbors) to develop a model with preprocessed training data and test the classifiers to validate their ensemble classifiers' performance. Finally, experimental analysis showed that the random forest classifier with the non‐Markovian approach achieved more than the other two techniques in the form of overall accuracy (99.15%) and F‐measures (99.21%).
Structure–Activity Relationships for the Affinity of Chaotropic Polyoxometalate Anions towards Proteins
Authors: Solé‐Daura Albert , Poblet Josep M. , Carbó Jorge J.
Published: February 2020

The influence of the composition of chaotropic polyoxometalate (POM) anions on their affinity to biological systems was studied by means of atomistic molecular dynamics (MD) simulations. The variations in the affinity to hen egg‐white lysozyme (HEWL) were analyzed along two series of POMs whereby the charge or the size and shape of the metal cluster are modified systematically. Our simulations revealed a quadratic relationship between the charge of the POM and its affinity to HEWL as a consequence of the parabolic growth of POM⋅⋅⋅water interaction with the charge. As the charge increases, POMs become less chaotropic (more kosmotropic) increasing the number and the strength of POM–water hydrogen bonds and structuring the solvation shell around the POM. This atomistic description explains the proportionally larger desolvation energies and less protein affinity for highly charged POMs, and consequently, the preference for moderate charge densities (q/M=0.33). Also, our simulations suggest that POM⋅⋅⋅protein interactions are size‐specific. The cationic pockets of HEWL protein show a preference for Keggin‐like structures, which display the optimal dimensions (≈1 nm). Finally, we developed a quantitative multidimensional model for protein affinity with predictive ability (r2=0.97; q2=0.88) using two molecular descriptors that account for the charge density (charge per metal atom ratio; q/M) and the size and shape (shape weighted‐volume; VS).
Earth‐Abundant Transition‐Metal‐Based Bifunctional Electrocatalysts for Overall Water Splitting in Alkaline Media
Authors: Yu Jianmin , Le Thi Anh , Tran Ngoc Quang , Lee Hyoyoung
Published: February 2020

The depletion of fossil fuels has accelerated the search for clean, sustainable, scalable, and environmentally friendly alternative energy sources. Hydrogen is a potential energy carrier because of its advantageous properties, and the electrolysis of water is considered as an efficient method for its industrial production. However, the high‐energy conversion efficiency of electrochemical water splitting requires cost‐effective and highly active electrocatalysts. Therefore, researchers have aimed to develop high‐performance electrode materials based on non‐precious and abundant transition metals for conversion devices. Moreover, to further reduce the cost and complexity in real‐world applications, bifunctional catalysts that can be simultaneously active on both the anodic (i.e., oxygen evolution reaction, OER) and cathodic (i.e., hydrogen evolution reaction, HER) sides are economically and technically desirable. This Minireview focuses on the recent progress in transition‐metal‐based materials as bifunctional electrocatalysts, including several promising strategies to promote electrocatalytic activities for overall water splitting in alkaline media, such as chemical doping, defect (vacancy) engineering, phase engineering, facet engineering, and structure engineering. Finally, the potential for further developments in rational electrode materials design is also discussed.
Supported TiO2 on Kaolin, Cordierite, and Calcite for Photocatalytic Removal of Dyes from Wastewater
Authors: Ibrahim Amal M. , El‐Mekkawi Doaa M. , Selim Mohamed M.
Published: February 2020

Kaolin, cordierite, and calcite are investigated as supports for TiO2. The prepared TiO2/support samples are examined for the removal of organic dyes from wastewater. The samples are preliminarily investigated to identify the optimal loaded system using synthetic wastewater containing methylene blue (MB). Data indicate that the investigated support significantly affects the photocatalytic activity of the supported TiO2. Low photocatalytic activity toward MB degradation is observed upon using TiO2/calcite when compared to the unsupported TiO2. Interaction between calcite and titania species probably occurrs to produce the less photoactive CaTiO3 amorphous species. Anatase TiO2 is obtained upon using kaolin and cordierite as supports. The low photocatalytic performance of the TiO2/kaolin sample is also observed. A high concentration of MB on TiO2/kaolin surfaces blocks the photoactive sites. TiO2/cordierite shows the highest photocatalytic activity compared to the unsupported TiO2 as well as the other TiO2/support samples. Rigid cordierite particles suppress the agglomeration of TiO2 particles during the preparation, leading to a high exposed surface of TiO2 towards light illumination. TiO2/cordierite is investigated for the removal of organic dye from real wastewater collected from a textile dyeing factory. Color removal of up to 46% is achieved upon UV irradiation.
Distribution, number, and certain neurochemical identities of infracortical white matter neurons in the brains of three megachiropteran bat species
Authors: Bhagwandin Adhil , Debipersadh Ulsana , Kaswera‐Kyamakya Consolate , Gilissen Emmanuel , Rockland Kathleen S. , Molnár Zoltán , Manger Paul R.
Published: February 2020

A large population of infracortical white matter neurons, or white matter interstitial cells (WMICs), are found within the subcortical white matter of the mammalian telencephalon. We examined WMICs in three species of megachiropterans, Megaloglossus woermanni, Casinycteris argynnis, and Rousettus aegyptiacus, using immunohistochemical and stereological techniques. Immunostaining for neuronal nuclear marker (NeuN) revealed substantial numbers of WMICs in each species—M. woermanni 124,496 WMICs, C. argynnis 138,458 WMICs, and the larger brained R. aegyptiacus having an estimated WMIC population of 360,503. To examine the range of inhibitory neurochemical types we used antibodies against parvalbumin, calbindin, calretinin, and neural nitric oxide synthase (nNOS). The calbindin and nNOS immunostained neurons were the most commonly observed, while those immunoreactive for calretinin and parvalbumin were sparse. The proportion of WMICs exhibiting inhibitory neurochemical profiles was ~26%, similar to that observed in previously studied primates. While for the most part the WMIC population in the megachiropterans studied was similar to that observed in other mammals, the one feature that differed was the high proportion of WMICs immunoreactive to calbindin, whereas in primates (macaque monkey, lar gibbon and human) the highest proportion of inhibitory WMICs contain calretinin. Interestingly, there appears to be an allometric scaling of WMIC numbers with brain mass. Further quantitative comparative work across more mammalian species will reveal the developmental and evolutionary trends associated with this infrequently studied neuronal population.
Lignin‐First Fractionation of Softwood Lignocellulose Using a Mild Dimethyl Carbonate and Ethylene Glycol Organosolv Process
Authors: De Santi Alessandra , Galkin Maxim V. , Lahive Ciaran W. , Deuss Peter J. , Barta Katalin
Published: February 2020

A mild lignin‐first acidolysis process (140 °C, 40 min) was developed using the benign solvent dimethyl carbonate (DMC) and ethylene glycol (EG) as a stabilization agent/solvent to produce a high yield of aromatic monophenols directly from softwood lignocellulose (pine, spruce, cedar, and Douglas fir) with a depolymerization efficiency of 77–98 %. Under the optimized conditions (140 °C, 40 min, 400 wt % EG and 2 wt % H2SO4 to pinewood), up to 9 wt % of the aromatic monophenol was produced, reaching a degree of delignification in pinewood of 77 %. Cellulose was also preserved, as evidenced by a 85 % glucose yield after enzymatic digestion. An in‐depth analysis of the depolymerization oil was conducted by using GC‐MS, HPLC, 2 D‐NMR, and size‐exclusion chromatography, which provided structural insights into lignin‐derived dimers and oligomers and the composition of the sugars and derived molecules. Mass balance evaluation was performed.
GILZ in sepsis: “Poor is the pupil who does not surpass his master”
Authors: Vandewalle Jolien , Libert Claude
Published: February 2020

With the legendary saying of Leonardo da Vinci in the title, we suggest that Glucocorticoid Induced Leucine Zipper (GILZ) may have more promising effects against polymicrobial sepsis, than glucocorticoids (GC). Indeed, the use of GCs in sepsis remains a matter of debate. The rationale for their use in sepsis is to modulate the exaggerated inflammatory response while maintaining innate immunity. However, GC resistance and side‐effects limit their therapeutic value in sepsis. Hence, there is a growing interest in understanding the mechanisms by which GCs modulate immune responses upon infection. In this issue of the European Journal of Immunology, Ellouze et al. provide data demonstrating that deregulated expression of GILZ, a GC‐induced protein, in monocytes/macrophages (M/M) recovered from septic shock patients may contribute to the pathogenesis. Furthermore, the authors demonstrate that GILZ overexpression in M/M improves outcome in septic animals by limiting systemic inflammation while increasing bacterial clearance. Overall, these data provide evidence that GCs may modulate immune responses via GILZ and that GILZ is a valuable alternative for GC therapy in sepsis.
Rapid Bis‐Coupling Reactivity with Triarylbismuth Reagents: Synthesis of Structurally Diverse Scaffolds and Step‐economic Convergent Synthesis of Quebecol
Authors: Rao Maddali L. N. , Murty Venneti N. , Nand Sachchida
Published: February 2020

The cross‐coupling study of gem‐dibromoesters with triarylbismuths as threefold arylating reagents was investigated under palladium‐catalyzed conditions. This study using triarylbismuth reagents explored the cross‐coupling reactivity with various functionalized gem‐dibromoesters. It furnished a variety of multi‐functional trisubstituted acrylates embedded with aryl, alkene and alkyne scaffolds in high yields. The present study in turn, provided easy access to various triarylated acrylates and functionalized 1,3‐dienyl and 1,3‐enyne esters. Further, the established method applied in the step‐economic and convergent synthesis of quebecol natural product in good yield.
General Asymmetric Synthetic Strategy for the α‐Alkylated 2,5,6‐Trisubstituted Pyran of Indanomycin and Related Natural Products
Authors: Padma Ravishetty , Srinivas Beduru , Yadav Jhillu S. , Mohapatra Debendra K.
Published: February 2020

A general synthetic strategy for convergent asymmetric synthesis of C1–C10 fragment of tetraene‐containing natural product indanomycin was achieved starting from 2‐(benzyloxy)acetaldehyde which in turn was obtained from very inexpensive material cis‐1,4‐butene‐diol. Key steps include Evans' aldol reaction, HWE olefination, iodine‐catalyzed tandem isomerization followed by C–O and C–C bond formation similar to our earlier report in constructing the trans‐2,6‐disubstituted dihydropyran ring and Evans' asymmetric alkylation.
Anaerobic biological treatment of frozen seafood wastewater
Authors: Sillapacharoenkul Boonsong , Sinbuathong Nusara
Published: February 2020

The effect of salinity was studied on the anaerobic treatment of raw, frozen seafood wastewater. A single‐stage of four organic loading rates (OLRs) ranging from 0.58 to 1.45 kg COD/m3.day and two stages of five OLRs in acidogenic reactors ranging from 0.29 to 2.31 kg chemical oxygen demand (COD)/m3.day were fed into laboratory‐scale bioreactors. The wastewater contained a COD of 1,735 mg/L with high salinity, sodium ion (Na+) and nitrogen (N) contents of 8.63 parts per thousand 5,071, and 165 mg/L, respectively. In the single‐stage operation, the COD and total volatile solids (TVS) removal reached maxima of 55 and 63%, respectively, at 0.58 kg COD/m3.day. In the two‐stage operation, the COD and TVS removal were 65 and 70% at the most appropriate OLR of 1.16 kg COD/m3.day. At this OLR, the highest CH4 content and CH4 yield obtained were not satisfactory at 26.62% and 71 L (reported at standard temperature and pressure)/kg COD removed, respectively. For both types of operation, the biogas did not contain sufficient methane (CH4) in all tests at all OLRs. The salts, Na+, and N at the levels in this study did not upset the organic removal efficiency but did adversely affect CH4 production. Two‐stage anaerobic operation could not prevent toxicity due to the characteristics of this wastewater.
Modeling the separation performance of depth filter considering tomographic data
Authors: Hoppe Kevin , Maricanov Michail , Schaldach Gerhard , Zielke Reiner , Renschen Dirk , Tillmann Wolfgang , Thommes Markus , Pieloth Damian
Published: February 2020

Fibrous depth filters are frequently used for the purification of gas streams with low dust loadings, as well as processes where a high initial filtration efficiency is required (e.g., clean rooms for aseptic production). One tool suitable for supporting the development of optimized filter media is the use of numerical simulations. The drawback of this technique is the high computational resources required. In this work, a new and fast approach based on a one‐dimensional model was applied. Structural characteristics (e.g., porosity distribution and fiber diameter) of two different filter media were successfully determined using a novel X‐ray microscope. These characteristics were incorporated in the filtration model, and their influence on the calculations was evaluated. It was found that the porosity distribution does have an impact on local (microscopic) deposition rates, but only a minor influence on the macroscopic filtration efficiency (around 3%). Benefits of the model are the application of measured structural data and the low computational expense. Compared to experimental data (VDI 3926 / ISO 11057), the prediction of the filtration efficiency can be improved by incorporating the structural data in the model.
Effect of anisotropic permeability on double‐diffusive bidisperse porous medium
Authors: Saleh Sara H. , Haddad Shatha A.
Published: February 2020

The model of thermosolutal convection in a fluid‐saturated bidisperse porous medium of Darcy type is studied in this paper. The permeability is allowed to be horizontally isotropic for both the macro‐ and microphases. The linear instability and nonlinear stability are analyzed by taking the Soret effect into account. Furthermore, the effect of anisotropy parameter, Soret coefficient, and other physical parameters on the stability of the system are investigated. It is shown that the linear instability boundaries and the energy stability boundaries do not coincide when the layer is heated and salted from below, where a region of potential subcritical instability occurs. The results reveal that the horizontal to vertical permeability ratio plays a crucial role in the stability of the system. It is also observed that for large values of the salt Rayleigh number, the onset of thermal convection is more likely to be via oscillatory convection rather than stationary convection. Furthermore, the onset of stationary convection is significantly influenced by the presence of the Soret coefficient.
Efficacy of Gamma-Irradiated Macroporous Microbial Biomat for Lead Removal: A Proposed Application to Aquacultures
Authors: Gamal Marwa , Karam El Deen Al-Zahraa Ahmad , Kamel Abou Mourad Iman , Abd El Kareem Hussein , Gomaa Ola M
Published: February 2020

Lead mobilization in aquaculture and its generated health hazards prompted the use of a cheap and reusable method for its removal within a short duration. A 3D macroporous microbial biomat formed of Trichoderma viride immobilized on luffah was used for Pb removal. The biomat was used to remove 79% of initial 400 mg/kg Pb in 24 h that increased to 87% under optimized conditions of pH, temperature, and contact time. In order to reduce the time needed for Pb bioremoval to 1 h, pretreated biomats were used, resulting in an increase in removal from 58% to 96% upon exposure to gamma radiation (0.01 kilogray [kGy]). The irradiated biomat was studied in terms of morphology, elemental analysis of surface biosorbed Pb and surface functional groups using scanning electron microscopy (SEM), energy dispersive X-ray (EDX), and Fourier transform infrared (FTIR) spectroscopy. The results show a difference in the adsorption pattern. The biomat was reused efficiently for 3 consecutive cycles and was also used in fixed bed column showing 89% removal for downward flow and in real aquaculture samples. Pretreated microbial biomats are very suitable for use in fixed bed reactors or as a biofilter and can be tested in recirculating aquaculture systems (RASs), thereby contributing to water conservation and aquaculture sustainability. Integr Environ Assess Manag 2020;16:508–516. © 2020 SETAC
Magnesium intake and primary liver cancer incidence and mortality in the Prostate, Lung, Colorectal and Ovarian Cancer Screening Trial
Authors: Zhong Guo‐Chao , Peng Yang , Wang Kang , Wan Lun , Wu You‐Qi‐Le , Hao Fa‐Bao , Hu Jie‐Jun , Gu Hai‐Tao
Published: February 2020

Epidemiological studies on magnesium intake and primary liver cancer (PLC) are scarce, and no prospective studies have examined the associations of magnesium intake with PLC incidence and mortality. We sought to clarify whether higher magnesium intake from diet and supplements was associated with lower risks of PLC incidence and mortality in the US population. Magnesium intake from diet and supplements was evaluated through a food frequency questionnaire in a cohort of 104,025 participants. Cox regression was employed to calculate hazard ratios for PLC incidence and competing risk regression was employed to calculate subdistribution hazard ratios for PLC mortality. Restricted cubic spline regression was employed to test nonlinearity. We documented 116 PLC cases during 1,193,513.5 person‐years of follow‐up and 100 PLC deaths during 1,198,021.3 person‐years of follow‐up. Total (diet + supplements) magnesium intake was found to be inversely associated with risks of PLC incidence (hazard ratiotertile 3 vs. 1: 0.44; 95% confidence interval: 0.24, 0.80; ptrend = 0.0065) and mortality (subdistribution hazard ratiotertile 3 vs. 1: 0.37; 95% confidence interval: 0.19, 0.71; ptrend = 0.0008). Similar results were obtained for dietary magnesium intake. Nonlinear inverse dose–response associations with PLC incidence and mortality were observed for both total and dietary magnesium intakes (all pnonlinearity < 0.05). In summary, in the US population, a high magnesium intake is associated with decreased risks of PLC incidence and mortality in a nonlinear dose–response manner. These findings support that increasing the consumption of foods rich in magnesium may be beneficial in reducing PLC incidence and mortality.
Ginsenoside Rg3 suppresses the growth of gemcitabine‐resistant pancreatic cancer cells by upregulating lncRNA‐CASC2 and activating PTEN signaling
Authors: Zou Jifeng , Su Huafang , Zou Changling , Liang Xiaodong , Fei Zhenghua
Published: February 2020

Pancreatic cancer is one of the most fatal malignancies with high mortality. Gemcitabine (GEM)‐based chemotherapy is the most important treatment. However, the development of GEM resistance leads to chemotherapy failure. Previous studies demonstrated the anticancer activity of ginsenoside Rg3 in a variety of carcinomas through modulating multiple signaling pathways. In the present study, 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide assay, colony formation assay, flow cytometry apoptosis assay, Western blotting assay, xenograft experiment, and immunohistochemistry assay were performed in GEM‐resistant pancreatic cancer cell lines. Ginsenoside Rg3 inhibited the viability of GEM‐resistant pancreatic cancer cells in a time‐dependent and concentration‐dependent manner through induction of apoptosis. The level of long noncoding RNA cancer susceptibility candidate 2 (CASC2) and PTEN expression was upregulated by the ginsenoside Rg3 treatment, and CASC2/PTEN signaling was involved in the ginsenoside Rg3‐induced cell growth suppression and apoptosis in GEM‐resistant pancreatic cancer cells. Ginsenoside Rg3 could be an effective anticancer agent for chemoresistant pancreatic cancer.
A Cascade synthesis of 11bH‐Imidazo[1,2‐c]isoquinolino[2,1‐a]quinazoline derivatives catalyzed by AgOTf
Authors: Wu Hao , Wang Yi‐Chun , Li Tuan‐Jie , Liu Jian‐Quan , Wang Xiang‐Shan
Published: February 2020

A cascade reaction of 2‐alkynylbenzaldehydes and 2‐(4,5‐diphenyl‐1H‐imidazol‐2‐yl)aniline was treated in DMF catalyzed by AgOTf leading to 6,13,14‐triaryl‐11bH‐imidazo[1,2‐c] isoquinolino[2,1‐a]quinazolines in high yields. This Domino reaction included condensation, cyclization, and acetylenic hydroamination under mild conditions to build fused pentacyclic heterocycle with three new bonds and two new rings.
A systematic review of lopinavir therapy for SARS coronavirus and MERS coronavirus—A possible reference for coronavirus disease‐19 treatment option
Authors: Yao Tian‐Tian , Qian Jian‐Dan , Zhu Wen‐Yan , Wang Yan , Wang Gui‐Qiang
Published: February 2020

In the past few decades, coronaviruses have risen as a global threat to public health. Currently, the outbreak of coronavirus disease‐19 (COVID‐19) from Wuhan caused a worldwide panic. There are no specific antiviral therapies for COVID‐19. However, there are agents that were used during the severe acute respiratory syndrome (SARS) and Middle East respiratory syndrome (MERS) epidemics. We could learn from SARS and MERS. Lopinavir (LPV) is an effective agent that inhibits the protease activity of coronavirus. In this review, we discuss the literature on the efficacy of LPV in vitro and in vivo, especially in patients with SARS and MERS, so that we might clarify the potential for the use of LPV in patients with COVID‐19.
The expanding phenotype of hypokalemic periodic paralysis in a Japanese family with p.Val876Glu mutation in CACNA1S
Authors: Kurokawa Mari , Torio Michiko , Ohkubo Kazuhiro , Tocan Vlad , Ohyama Noriko , Toda Naoko , Ishii Kanako , Nishiyama Kei , Mushimoto Yuichi , Sakamoto Ryuichi , Nakaza Maki , Horie Riho , Kubota Tomoya , Takahashi Masanori P. , Sakai Yasunari , Nomura Masatoshi , Ohga Shouichi
Published: February 2020

Background

Hypokalemic periodic paralysis (HypoPP) is an autosomal dominant disease characterized by the episodic weakness of skeletal muscles and hypokalemia. More than half patients with HypoPP carry mutations in CACNA1S, encoding alpha‐1 subunit of calcium channel. Few reports have documented the non‐neuromuscular phenotypes of HypoPP.

Methods

The proband is a Japanese woman who developed HypoPP at 6 years of age. An excessive insulin secretion with the oral glucose tolerance test rationalized that she had experienced frequent attacks of paralysis on high‐carbohydrate diets.

Results

Voglibose and acetazolamide effectively controlled her paralytic episodes. Her 8‐year‐old son and 2‐year‐old daughter started showing the paralytic symptoms from 4 and 2 years of age, respectively. Laboratory tests revealed high concentrations of creatinine kinase in serum and elevated renin activities in plasma of these children. The targeted sequencing confirmed that these three patients had an identical heterozygous mutation (p.V876E) in CACNA1S.

Conclusion

Our data indicate that the p.V876E mutation in CACNA1S contributes to the early onset of neuromuscular symptoms and unusual clinical phenotypes of HypoPP.
Fat–water separation by fast metabolite cycling magnetic resonance spectroscopic imaging at 3 T: A method to generate separate quantitative distribution maps of musculoskeletal lipid components
Authors: Alhulail Ahmad A. , Patterson Debra A. , Xia Pingyu , Zhou Xiaopeng , Lin Chen , Thomas M. Albert , Dydak Ulrike , Emir Uzay E.
Published: February 2020

Purpose

To provide a rapid, noninvasive fat‐water separation technique that allows producing quantitative maps of particular lipid components.

Methods

The calf muscles in 5 healthy adolescents (age 12‐16 years; body mass index = 20 ± 3 kg/m2) were scanned by two different fat fraction measurement methods. A density‐weighted concentric‐ring trajectory metabolite‐cycling MRSI technique was implemented to collect data with a nominal resolution of 0.25 mL within 3 minutes and 16 seconds. For comparative purposes, the standard Dixon technique was performed. The two techniques were compared using structural similarity analysis. Additionally, the difference in the distribution of each lipid over the adolescent calf muscles was assessed based on the MRSI data.

Results

The proposed MRSI technique provided individual fat fraction maps for eight musculoskeletal lipid components identified by LCModel analysis (IMC/L [CH3], EMCL [CH3], IMC/L [CH2]n, EMC/L [CH2]n, IMC/L [CH2–CH], EMC/L [CH2–CH], IMC/L [–CH=CH–], and EMC/L [–CH=CH–]) with mean structural similarity indices of 0.19, 0.04, 0.03, 0.50, 0.45, 0.04, 0.07, and 0.12, respectively, compared with the maps generated by the used Dixon method. Further analysis of voxels with zero structural similarity demonstrated an increased sensitivity of fat fraction lipid maps from the data acquired using this MRSI technique over the standard Dixon technique. The lipid spatial distribution over calf muscles was consistent with previously published findings in adults.

Conclusion

This MRSI technique can be a useful tool when individual lipid fat fraction maps are desired within a clinically acceptable time and with a nominal spatial resolution of 0.25 mL.
Ammonia sensing behavior of polypyrrole‐bimetallic oxide composites
Authors: Malook Khan , Khan Hamayun , Shah Mutabar
Published: February 2020

We report herein the ammonia sensing behavior of polypyrrole‐bimetallic oxide composites (PPy‐V2O5‐MnO2) synthesized successfully via a modified chemical oxidation polymerization method in the aqueous medium using FeCl3.6H2O as an oxidant. The gas sensing characteristics of the synthesized materials were studied and composite PPy consisting of 4%V2O5‐5%MnO2(S3) blend was found to be of best with respect to its sensitivity and selectivity toward ammonia gas at room temperature. The effect of various parameters such as bimetallic oxide blend contents, ammonia gas concentration, temperature, and selectivity toward other gases were investigated using S3 as a gas sensitivity material. The material showed good dynamic response toward the target gas. The linearity range, limit of detection, response, and recovery times of S3 was 5 to 60 ppm, 5 ppm, 75 seconds, and 76 seconds, respectively. The splendid results confirmed that the synthesized PPy‐4%V2O5‐5%MnO2(S3) composite could be a suitable candidate for ammonia detection at room temperature.
Single‐particle analysis of urea amidolyase reveals its molecular mechanism
Authors: Liu Ying , Yuan Bin , Peng Liang , Zhao Jing , Cheng Bin , Huang Yuhua , Zheng Xinxing , Zhou Yuerong , Xiang Song , Zhu Li , Wu Yi
Published: February 2020

Urea amidolyase (UA), a bifunctional enzyme that is widely distributed in bacteria, fungi, algae, and plants, plays a pivotal role in the recycling of nitrogen in the biosphere. Its substrate urea is ultimately converted to ammonium, via successive catalysis at the C‐terminal urea carboxylase (UC) domain and followed by the N‐terminal allophanate hydrolyse (AH) domain. Although our previous studies have shown that Kluyveromyces lactis UA (KlUA) functions efficiently as a homodimer, the architecture of the full‐length enzyme remains unresolved. Thus how the biotin carboxyl carrier protein (BCCP) domain is transferred within the UC domain remains unclear. Here we report the structures of full‐length KlUA in its homodimer form in three different functional states by negatively‐stained single‐particle electron microscopy. We report here that the ADP‐bound structure with or without urea shows two possible locations of BCCP with preferred asymmetry, and that when BCCP is attached to the carboxyl transferase domain of one monomer, it is attached to the biotin carboxylase domain in the second domain. Based on this observation, we propose a BCCP‐swinging model for biotin‐dependent carboxylation mechanism of this enzyme.
Kinetics of pH‐dependent interactions between PD‐1 and PD‐L1 immune checkpoint proteins from molecular dynamics
Authors: Klyukin Konstantin , Alexandrov Vitaly
Published: February 2020

Immune checkpoint blockade of signaling pathways such as PD‐1/PD‐L1 has recently opened up a new avenue for highly efficient immunotherapeutic strategies to treat cancer. Since tumor microenvironments are characterized by lower pH (5.5‐7.0), pH‐dependent protein‐ligand interactions can be exploited as efficient means to regulate drug affinity and specificity for a variety of malignancies. In this article, we investigate the mechanism and kinetics of pH‐dependent binding and unbinding processes for the PD‐1/PD‐L1 checkpoint pair employing classical molecular dynamics simulations. Two representative pH levels corresponding to circumneutral physiological conditions of blood (pH 7.4) and acidic tumor microenvironment (pH 5.5) are considered. Our calculations demonstrate that pH plays a key role in protein‐ligand interactions with small pH changes leading to several orders of magnitude increase in binding affinity. By identifying the binding pocket in the PD‐1/PD‐L1 complex, we show a pivotal role of the His68 protonation state of PD‐1in the complex stabilization at low pH. The results on the reaction rate constants are in qualitative agreement with available experimental data. The obtained molecular details are important for further engineering of binding/unbinding kinetics to formulate more efficient immune checkpoint blockade strategies.
Processing new types of quality data
Authors: Marmor Yariv N. , Bashkansky Emil
Published: February 2020

Quality engineers are increasingly faced with the need to deal with new types of data, which are significantly different from ordinary numerical data by virtue of their nature and the operations that can be performed with them. Basic concepts related to processing of such data, ie, data similarity, measurement system analysis, variation analysis, and data fusion, need to be thoroughly rethought. Reviewing recent publications in the field, we suggest a common approach to processing all data types on the basis of the idea of defining the distance metric for the appropriate data space. The article discusses six types of quality data (nominal, ordinal, preference chains, strings, tree structured, and product/process distribution) and four data processing aspects (calculating data similarity, error description, data fusion, and intradispersion and interdispersion studies). Necessary information and recommendations are given for each combination of data type and problem. They are also summarized in a table that refers the reader to various sections of the article. Any other data type for which the distance metric is definable can be included into the framework of the proposed unified approach.
Synthesis of 1H‐Isochromenes, 4H‐Chromenes and Orthoaminocarbonitrile Tetrahydronaphthalenes by CaMgFe2O4 Base Nanocatalyst
Authors: Naeimi Hossein , Mohammadi Somaye
Published: February 2020

Designing protocols for the preparation of nanocatalyst in order to increase the yield of an organic reaction is a challenging task in modern chemistry. CaMgFe2O4 is a base nanocatalyst that prepared through sol‐gel method. This nanocatalyst has used for the synthesis of 1H‐isocromenes, 4H‐chromenes and ortho‐aminocarbonitrile tetrahydronaphthalenes through the multi‐component reactions. The starting materials for all of the reactions are cyclohexanone, benzaldehyde and malononitrile and the reaction followed with Michael addition and cyclization. Therefore, the different multicomponent reactions from the same materials arranged by using CaMgFe2O4 base nanocatalyst. The catalyst identified with XRD, EDX, SEM, VSM and XPS techniques and the organic compounds recognized with melting point, FT‐IR, 1H NMR and 13C NMR analyses.
Application of Interrupted Pummerer Reaction Mediated (IPRm) Glycosylation in Natural Product Synthesis
Authors: Zhao Xiang , Zeng Jing , Meng Lingkui , Wan Qian
Published: February 2020

Although numerous glycosylation methods have been developed for the construction of glycosidic bonds, the pace of discovering rapid assembly strategies to access complex glycosidic linkages never stops. Over the last several years, we have introduced interrupted Pummerer reaction into carbohydrate chemistry and developed two pairs of latent/active glycosyl donors, OPTB/OPSB and SPTB/SPSB glycosides. After thorough investigation of the reaction mechanism and establishment of the substrate scopes, the extension of these novel glycosylation methods to synthesize naturally occurring biological active glycoconjugates was further illustrated. In this account, the development and especially the application of IPRm glycosylation in the synthesis of phenylethanoids and resin glycosides were introduced.
Structural elucidation of four flavonoid glycosides from Barringtonia acutangula
Authors: Van Quach Thi Thanh , Vien Le Thi , Hanh Tran Thi Hong , Huong Phan Thi Thanh , Van Thanh Nguyen , Cuong Nguyen Xuan , Nam Nguyen Hoai , Van Minh Chau
Published: February 2020

Chromatographic separations of a methanol extract of Barringtonia acutangula leaves resulted in the isolation of four flavonoid glycosides. Using extensive NMR spectroscopic analysis as well as comparison with the reported data, their structures were elucidated as quercetin 3‐O‐β‐D‐(6‐p‐hydroxybenzoyl)galactopyranoside (1), quercetin 3‐O‐α‐L‐arabinopyranosyl‐(1→2)‐β‐D‐galactopyranoside (2), kaempferol 3‐O‐β‐D‐galactopyranoside (3), and quercetin‐3‐O‐β‐D‐galactopyranoside (4).
Synthesis of g‐C3N4/ZnO composites with enhanced photocatalytic activity under visible light
Authors: Van Kim Nguyen , Nga Nguyen Thi Viet , Phuong Tran Thi Thu , Le Tuan Nguyen , Vien Vo
Published: February 2020

The g‐C3N4/ZnO composites were synthesized by heating a mixture of urea and ZnO at 500°C and denoted as g‐C3N4/ZnO‐w, where w is the weight ratio of urea/ZnO and equals to 3, 4 and 5. The obtained materials were characterized by X‐ray diffraction, infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, ultraviolet‐visible diffuse reflectance spectroscopy. The results showed that all g‐C3N4/ZnO‐w samples are composites of orthorhombic ZnO and g‐C3N4. The photocatalytic activity of g‐C3N4/ZnO‐w samples was evaluated by degradation of methylene blue in water under visible light. Among them, g‐C3N4/ZnO‐4 sample exhibits the highest photocatalytic efficiency. The enhancement of photocatalytic activity of the g‐C3N4/ZnO composites compared to single components, g‐C3N4 and ZnO was observed, which can be attributed to the reduction of combination rate of photogenerated electron – hole pairs in the composites.
Properties of polymer blends based on devulcanized waste rubber powder (d‐WRP)/EPDM/P
Authors: Dung Nguyen Tuan , Hanh Le Thi My , Lan Pham Thi , Minh Vu Xuan , Van Bien Tran
Published: February 2020

In this study, waste rubber powder (WRP) was devulcanized by ultrasonic in alkaline medium and blended with the different ratios of ethylene‐propylene‐diene copolymer EPDM/PP (polypropylene) and the coupling agent of dicumyl peroxide (DCP) to produce WRD/EPDM/PP polymer blends. With the concentration of 10 wt.% WRP gived the mechanical properties of blends before and after accelerated weathering testing were approxiated with those of EPDM/PP 30/70 blends. The presence of DCP improved the tensile at strength and thermal resistance, caused by interaction between EPDM and PP. Result of thermogravimetric analysis showed that the presence of 0.5 % DCP gaved the maximum thermal resistance of polymer blends up to 380°C.
Chemical constituents from the ethyl acetate extract of the stems of Macaranga balansae Gagnep.
Authors: Thang Pham Toan , Thoa Ha Thi , Giap Tran Huu , Thanh Le Nguyen , Hang Nguyen Thi Minh , Oanh Vu Thi Kim , Huong Tran Thu , Huong Doan Thi Mai , Van Cuong Pham
Published: February 2020

The genus Macaranga, one of the largest genera of the Euphorbiaceae family has approximately 300 species distributed in the tropical regions. Plants of this genus displayed various bioactivities such as antioxidant, antitumor and antimicrobial effects. Macaranga balansae Gagnep. is an endemic plant in Vietnam, that ethyl acetate extract showed cytotoxicity to cancer cell line. In this article, we report the isolation and structural elucidation of six known compounds from the ethyl acetate extract including (‐)‐dehydroxycubebin (1), trans‐coniferyl aldehyde (2), 3,3',4'‐tri‐O‐methyl ellagic acid (3), stigmastane 3β,5α,6β‐triol (4), 2,3‐dihydroxy‐1‐(4’‐hydroxy‐3’‐methoxyphenyl) propan‐1‐one (5), and protocatechuic acid (6). To the best of our knowledge, compounds 1‐5 were isolated from Macaranga genus for the first time.