bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal Structure and Catalytic Activity of A Novel Cd(II) Coordination Polymer Formed by Dicarboxylic Ligand
Authors: Ji Zhi Xiang , Li Peng Fei
Published: June 2018

A new Cd(II) coordination polymer, {[Cd3(L)2(DMF)2(H2O)2]·H2O}n (H2L = 1,3-bisbenzyl-2-imidazolidine-4,5-dicarboxylic acid) was synthesized by one-pot synthesis method from 1,3-bisbenzyl-2-imidazolidine-4,5-dicarboxylic acid, NaOH, DMF, and Cd(NO3)2·4H2O. Its structure was determined by elemental analysis and single crystal X-ray diffraction. Structural analysis shows that three Cd(II) ions are all six-coordinated with four oxygen atoms of four 1,3-bisbenzyl-2-imidazolidine-4,5-dicarboxylate ligands and two O atoms from two DMF molecules (Cd1) or two oxygen atoms of two coordinated H2O molecules (Cd2 and Cd3) to form an octahedral coordination geometry. The Cd(II) coordination polymer displays a 1D chained structure by the bridging carboxylate groups from 1,3-bisbenzyl-2-imidazolidine-4,5-dicarboxylate ligands. The conversion of benzaldehyde is 90.9%, which is 40~50% higher than those of the other three aldehydes (4-methylbenzaldehyde, p-methoxybenzaldehyde and 3-chlorobenzaldehyde), so the Cd(II) coordination polymer catalyst shows better catalytic activity for the coupling reaction of benzaldehyde, phenylacetylene, and piperidine than the other three aldehydes.
Highly Efficient Synthesis of 1-Thioamidoalkyl-2-naphthols and 14-Aryl-14H-dibenzo[a,j]xanthenes using a Novel Ionic Liquid: Catalyst Preparation, Characterization and Performing the Reactions
Authors: Saadat Atefeh , Zare Abdolkarim , Jamadi Fatemeh , Abdolalipour-Saretoli Maasoomeh
Published: June 2018

In this work, a novel Brønsted acidic ionic liquid namely triethylaminium-N-sulfonic acid trifluoroacetate {[TEASA][TFA]} has been synthesized by the reaction of NEt3 with ClSO3H, and then with CF3CO2H. The ionic liquid has been characterized by studying its spectroscopic data (1H and 13C NMR, FT-IR, and mass spectra). Afterward, it has been utilized as a highly effective and general catalyst to promote the following organic reactions in solvent-free conditions: (i) the production of 1-thioamidoalkyl-2-naphthols from arylaldehydes, 2-naphthol and thioacetamide, and (ii) the preparation of 14-aryl-14H-dibenzo[a,j]xanthenes from arylaldehydes and 2-naphthol. It is noteworthy that [TEASA][TFA] has catalyzed the reactions under milder conditions relative to most of the reported methods. Moreover, it afforded the both products in higher yields with respect to most of the previous works.
Simulation Study of a Membrane Reactor for Ultrapure Hydrogen Recovery from Methanol Steam Reforming Reaction under Periodic Steady-State
Authors: Chibane Lemnouer
Published: June 2018

Steam reforming of methanol over Cu/ZnO/Al2O3 catalyst was theoretically studied under created unsteady state. A mathematical approach was proposed to evaluate the effect of periodic inputs on reactor performance. The efficacy of the periodic separating reactor in term of pure hydrogen and of methanol conversion was measured during the reaction of methanol steam reforming. The obtained results showed that under certain operating conditions the periodic operation can be used advantageously to increase the reactor ability up to a level higher than the maximal steady-state. Moreover, our findings showed that the pumping of hydrogen through the membrane was stimulated by the effect of periodic operations. The predicted results suggested that the created unsteady state mode by using a square wave function could give the better performances compared to the sinusoidal mode.
Fe/Indonesian Natural Zeolite as Hydrodeoxygenation Catalyst in Green Diesel Production from Palm Oil
Authors: Putra Riandy , Lestari Witri Wahyu , Wibowo Fajar Rakhman , Susanto Bambang Heru
Published: June 2018

The Petroleum diesel-based fossil fuel remains the primary source of energy consumption in Indonesia. The utilization of this unrenewable fuel depletes fossil fuels; thus, an alternative, renewable fuel, such as one based on biohydrocarbon from biomass-green diesel-could be an option. In this work, green diesel was produced through the hydrodeoxygenation from palm oil and processed in a batch-stirred autoclave reactor over natural zeolite (NZ) and NZ modified with 3 wt.% Fe metal (Fe/NZ) as heterogeneous catalyst. NZ showed high crystallinity and suitability to the simulated pattern of the mordenite and clinoptilolite phases according to X-ray diffraction (XRD) analysis. The presence of Fe metal was further confirmed by XRD, with an additional small diffraction peak of Fe0 that appeared at 2θ = 44-45°. Meanwhile, NZ and Fe/NZ were also characterized by Scanning electron microscopy (SEM) with Energy Dispersive X-ray (EDX), X-ray Fluorescence (XRF), and Surface Area Analyzer (SAA). The obtained materials were tested for the conversion of palm oil into diesel-range hydrocarbons (C15-C18) under conditions of 375 °C and 12 bar H2 for 2 h. NZ and Fe/NZ produced a liquid hydrocarbon with straight-chain (C15-C18) alkanes as the most abundant products. Based on Gas Chromatography-Mass Spectrometry (GC-MS) measurement, a higher conversion of palm oil into diesel-like hydrocarbons reached more than 58% and 89%, when NZ and Fe modified NZ (Fe/NZ), respectively were used as catalysts.
Cu/Pd Bimetallic Supported on Mesoporous TiO2 for Suzuki Coupling Reaction
Authors: Mohan Mothi Krishna , Sunajadevi K. R. , Daniel Nobi K , Gopi Soumya , Sugunan Sugunan , Perumparakunnel Nikhil Chandra
Published: June 2018

Generally bimetallic catalysts are more superior to monometallic catalysts and provide a better platform for the development of novel catalysts with enhanced activity, selectivity, and stability. In the current work we have prepared Cu/Pd bimetallic supported on mesoporous TiO2 by hydrothermal method. The prepared system was characterized by various physico-chemical techniques such as XRD, TG-DTG, SEM, EDAX, BJH isotherm, and XPS. Thermal stability and complete electronic structure were identified from TG and XPS measurements respectively. The bimetallic system was found to be very active in Suzuki cross-coupling reaction using different substrates. The products were separated and purified by column chromatography and the resultant products were characterized thoroughly by 1H NMR, and FT-IR analysis.
Facile Synthesis and Characterization of Multi-Layer Graphene Growth on Co-Ni Oxide/Al2O3 Substrate Using Chemical Vapour Deposition
Authors: Ali May , Rashid Suraya Abdul , Hamidon Mohd Nizar , Md Yasin Faizah
Published: June 2018

The synthesis and characterization of multilayer graphene (MLG) growth on bimetallic Co-Ni oxide/Al2O3 substrate using chemical vapour deposition (CVD) were investigated. The synthesis of MLG was performed at a temperature range of 700-900 oC. Characterization was carried out using TGA, XRD, FESEM, HRTEM, EDX, XPS, FTIR, and Raman spectroscopy. The MLG growth on the bimetallic substrate was confirmed by XRD, FESEM, and HRTEM analysis. TGA and Raman spectroscopy analyses indicate the formation of thermally stable and high-quality MLG. The kinetic growth of MLG was investigated by varying the reaction temperature and monitoring the partial pressure of the ethanol (C2H5OH) as well as that of hydrogen. The data obtained were fitted to the Langmuir-Hinshelwood kinetic model for the estimation of the reaction rate constants at different temperatures. The results showed that the reaction rate constant increased with temperature and the apparent activation energy of 13.72 kJ.mol-1 was obtained indicating a relatively fast rate of MLG growth. The parity plot obtained for the comparison of the predicted and observed rate of C2H5OH consumptions showed an excellent agreement. This study is important for understanding the growth kinetics of MLG in order to develop appropriate measures that can control the production of MLG thin films for use in the electronic industries.
Continuous Production of Biodiesel from Rubber Seed Oil Using a Packed Bed Reactor with BaCl2 Impregnated CaO as Catalyst
Authors: Buasri Achanai , Loryuenyong Vorrada
Published: June 2018

The goal of this research was to test barium chloride (BaCl2) impregnated calcined razor clam shell as a solid catalyst for transesterification of rubber seed oil (RSO) in a packed bed reactor (PBR). The waste razor clam shells were crushed, ground, and calcined at 900 °C in a furnace for 2 h to derive calcium oxide (CaO) particles. Subsequently, the calcined shells were impregnated with BaCl2 by wet impregnation method and recalcined at 300 °C for 2 h. The synthesized catalyst was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive spectrometer (EDS),  Brunauer-Emmett-Teller (BET) surface area, and basic strength measurements. The effects of various parameters such as residence time, reaction temperature, methanol/oil molar ratio, and catalyst bed length on the yield of fatty acid methyl ester (FAME) were determined. The BaCl2/CaO catalyst exhibited much higher catalytic activity and stability than CaO catalyst influenced by the basicity of the doped catalyst. The maximum fatty acid methyl ester yield was 98.7 % under optimum conditions (residence time 2.0 h, reaction temperature 60 °C, methanol/oil molar ratio 12:1, and catalyst bed length 200 mm). After 6 consecutive reactions without any treatment, fatty acid methyl ester yield reduced to 83.1 %. The option of using waste razor clam shell for the production of transesterification catalysts could have economic benefits to the aquaculture and food industries.
Role of EDAPTMS-Functionalized Silica Derived from Rice Husk Ash in the Adsorption Kinetics of Cu(II), Cr(III), and Pb(II)
Authors: Fatimah Is , Yuliarni Tesha , Riyanti Dian
Published: June 2018

In the present work, synthesis of (3-ethylene diamino propyl)-trimethoxysilane (EDAPTMS)-functionalized silica prepared from rice husk ash (RHA) and its adsorptivity of Cu(II), Cr(III), and Pb(II) in an aqueous solution was investigated. The EDAPTMS-functionalized silica was prepared by destruction of RHA with 4 M NaOH solution followed by functionalization by using the sol-gel method. The interaction was engaged by mixing EDAPTMS with silica gel in an acid condition followed by aging. The gel obtained from the procedure was analyzed by using X-ray diffraction (XRD), infrared spectroscopy (FTIR), and a surface area analyzer (SAA). Effect of EDAPTMS content on the material character and adsorption capability are the focuses of the study. The adsorption study was conducted in a batch adsorption system for Cu(II), Cr(III), and Pb(II) mixed solution and metal ion analyses were performed by atomic absorption spectrophotometry. The results showed that enhancement of physicochemical character was obtained after modification Based on the quantitative analysis of each metal, the kinetics of adsorption of a single solution of each ion and mixed solutions were studied. as shown by the increasing specific surface area as well as the increasing adsorption rate of the metal ions along increasing EDAPTMS content. Langmuir and Freundlich models were utilized for the kinetic study. Adsorption selectivity and adsorption kinetics were found to be strongly influenced by ionic coordination bonding with metal ions. The interpretation of the kinetic models showed the fitness of the Freundlich model for all metal ions.
Simple and Green Adipic Acid Synthesis from Cyclohexanone and/or Cyclohexanol Oxidation with Efficient (NH4)xHyMzPMo12O40 (M: Fe, Co, Ni) Catalysts
Authors: Mouanni Sihem , Mazari Tassadit , Benadji Sihem , Dermeche Leila , Marchal-Roch Catherine , Rabia Cherifa
Published: June 2018

The oxidation of cyclohexanone and/or cyclohexanol to adipic acid (AA) was performed at 90 °C with a reaction time of 20 h, in the presence of H2O2 as oxidant and transition metal substituted ammonia polyoxometalates of formula, (NH4)xHyMzPMo12O40 (M: Fe, Co, or Ni,  and x = 2.5 or 2.28) as catalysts.  The catalytic results showed that the AA yield is sensitive to the transition metal nature and to the reaction conditions (sample weight and substrate amount). The (NH4)2.29H0.39Co0.16PMo12O40 was found to be the better catalytic system toward AA synthesis from cyclohexanone oxidation, with 40% of AA yield
Escherichia coli tRNA 2‐selenouridine synthase (SelU) converts S2U‐RNA to Se2U‐RNA via S‐geranylated‐intermediate
Authors: Sierant Malgorzata , Leszczynska Grazyna , Sadowska Klaudia , Komar Patrycja , Radzikowska‐Cieciura Ewa , Sochacka Elzbieta , Nawrot Barbara
Published: June 2018

To date the only tRNAs containing nucleosides modified with a selenium (5‐carboxymethylaminomethyl‐2‐selenouridine and 5‐methylaminomethyl‐2‐selenouridine) have been found in bacteria. By using tRNA anticodon‐stem‐loop fragments containing S2U, Se2U, or geS2U, we found that in vitro tRNA 2‐selenouridine synthase (SelU) converts S2U‐RNA to Se2U‐RNA in a two‐step process involving S2U‐RNA geranylation (with ppGe) and subsequent selenation of the resulting geS2U‐RNA (with SePO33−). No ‘direct’ S2U‐RNA→Se2U‐RNA replacement is observed in the presence of SelU/SePO33− only (without ppGe). These results suggest that the in vivo S2U→Se2U and S2U→geS2U transformations in tRNA, so far claimed to be the elementary reactions occurring independently in the same domain of the SelU enzyme, should be considered a combination of two consecutive events – geranylation (S2U→geS2U) and selenation (geS2U→Se2U).
Correlation between intrafractional motion and dosimetric changes for prostate IMRT: Comparison of different adaptive strategies
Authors: Saito Nami , Schmitt Daniela , Bangert Mark
Published: June 2018

Purpose

To retrospectively analyze and estimate the dosimetric benefit of online and offline motion mitigation strategies for prostate IMRT.

Methods

Intrafractional motion data of 21 prostate patients receiving intensity‐modulated radiotherapy was acquired with an electromagnetic tracking system. Target trajectories of 734 fractions were analyzed per delivered multileaf‐collimator segment in five motion metrics: three‐dimensional displacement, distance from beam axis (DistToBeam), and three orthogonal components. Time‐resolved dose calculations have been performed by shifting the target according to the sampled motion for the following scenarios: without adaptation, online‐repositioning with a minimum threshold of 3 mm, and an offline approach using a modified field order applying horizontal before vertical beams. Change of D95 (targets) or V65 (organs at risk) relative to the static case, that is, ΔD95 or ΔV65, was extracted per fraction in percent. Correlation coefficients (CC) between the motion metrics and the dose metrics were extracted. Mean of patient‐wise CC was used to evaluate the correlation of motion metric and dosimetric changes. Mean and standard deviation of the patient‐wise correlation slopes (in %/mm) were extracted.

Results

For ΔD95 of the prostate, mean DistToBeam per fraction showed the highest correlation for all scenarios with a relative change of −0.6 ± 0.7%/mm without adaptation and −0.4 ± 0.5%/mm for the repositioning and field order strategies. For ΔV65 of the bladder and the rectum, superior–inferior and posterior–anterior motion components per fraction showed the highest correlation, respectively. The slope of bladder (rectum) was 14.6 ± 5.8 (15.1 ± 6.9) %/mm without adaptation, 14.0 ± 4.9 (14.5 ± 7.4) %/mm for repositioning with 3 mm, and 10.6 ± 2.5 (8.1 ± 4.6) %/mm for the field order approach.

Conclusions

The correlation slope is a valuable concept to estimate dosimetric deviations from static plan quality directly based on the observed motion. For the prostate, both mitigation strategies showed comparable benefit. For organs at risk, the field order approach showed less sensitive response regarding motion and reduced interpatient variation.
Assessment of the accuracy and stability of frameless gamma knife radiosurgery
Authors: Chung Hyun‐Tai , Park Woo‐Yoon , Kim Tae Hoon , Kim Yong Kyun , Chun Kook Jin
Published: June 2018

The aim of this study was to assess the accuracy and stability of frameless gamma knife radiosurgery (GKRS). The accuracies of the radiation isocenter and patient couch movement were evaluated by film dosimetry with a half‐year cycle. Radiation isocenter assessment with a diode detector and cone‐beam computed tomography (CBCT) image accuracy tests were performed daily with a vendor‐provided tool for one and a half years after installation. CBCT image quality was examined twice a month with a phantom. The accuracy of image coregistration using CBCT images was studied using magnetic resonance (MR) and computed tomography (CT) images of another phantom. The overall positional accuracy was measured in whole procedure tests using film dosimetry with an anthropomorphic phantom. The positional errors of the radiation isocenter at the center and at an extreme position were both less than 0.1 mm. The three‐dimensional deviation of the CBCT coordinate system was stable for one and a half years (mean 0.04 ± 0.02 mm). Image coregistration revealed a difference of 0.2 ± 0.1 mm between CT and CBCT images and a deviation of 0.4 ± 0.2 mm between MR and CBCT images. The whole procedure test of the positional accuracy of the mask‐based irradiation revealed an accuracy of 0.5 ± 0.6 mm. The radiation isocenter accuracy, patient couch movement accuracy, and Gamma Knife Icon CBCT accuracy were all approximately 0.1 mm and were stable for one and a half years. The coordinate system assigned to MR images through coregistration was more accurate than the system defined by fiducial markers. Possible patient motion during irradiation should be considered when evaluating the overall accuracy of frameless GKRS.
Tough and Self‐Recoverable Thin Hydrogel Membranes for Biological Applications
Authors: Ye Ya Nan , Frauenlob Martin , Wang Lei , Tsuda Masumi , Sun Tao Lin , Cui Kunpeng , Takahashi Riku , Zhang Hui Jie , Nakajima Tasuku , Nonoyama Takayuki , Kurokawa Takayuki , Tanaka Shinya , Gong Jian Ping
Published: June 2018

Tough and self‐recoverable hydrogel membranes with micrometer‐scale thickness are promising for biomedical applications, which, however, rarely be realized due to the intrinsic brittleness of hydrogels. In this work, for the first time, by combing noncovalent DN strategy and spin‐coating method, we successfully fabricated thin (thickness: 5–100 µm), yet tough (work of extension at fracture: 105–107J m−3) and 100% self‐recoverable hydrogel membranes with high water content (62–97 wt%) in large size (≈100 cm2). Amphiphilic triblock copolymers, which form physical gels by self‐assembly, were used for the first network. Linear polymers that physically associate with the hydrophilic midblocks of the first network, were chosen for the second network. The inter‐network associations serve as reversible sacrificial bonds that impart toughness and self‐recovery properties on the hydrogel membranes. The excellent mechanical properties of these obtained tough and thin gel membranes are comparable, or even superior to many biological membranes. The in vitro and in vivo tests show that these hydrogel membranes are biocompatible, and postoperative nonadhesive to neighboring organs. The excellent mechanical and biocompatible properties make these thin hydrogel membranes potentially suitable for use as biological or postoperative antiadhesive membranes.
Stretch‐Driven Increase in Ultrahigh Thermal Conductance of Hydrogenated Borophene and Dimensionality Crossover in Phonon Transmission
Authors: Li Dengfeng , He Jia , Ding Guangqian , Tang QiQi , Ying Yan , He Junjie , Zhong Chengyong , Liu Yi , Feng Chunbao , Sun Qilong , Zhou Hangbo , Zhou Ping , Zhang Gang
Published: June 2018

Inspirited by the wide range of applications of graphene and the similarity between boron and carbon, 2D boron sheets have gained extensive research interest. In this work, using first‐principles combined with a nonequilibrium Green's function method, thermal conductance of fully hydrogenated borophene, named borophane, is studied. Interestingly and in contrast to widely perceived sense, at 300 K, it is found that the thermal conductance of borophane in the armchair direction is remarkably larger than that of graphene. More interesting, a dimensionality crossover is observed in phonon transmission where low‐frequency phonons exhibit 2D characteristic, while high‐frequency phonons behave like a 1D system, oriented along armchair direction, which results in the ultrahigh thermal conductance. An anomalous increase of thermal conductance with uniaxial tensile strain is observed, which is well explained by the unique puckered structure and chemical bonding in borophane. The excellent in‐plane stiffness and flexibility together with the high thermal conductance suggest that borophane is promising for soft thermal channel. Moreover, this unique dimensionality crossover in phonon transmission offers a perfect platform for studying the effect of phonon population in mode space, which is of primary importance for thermal transport in low‐dimensional systems.
Metal–Organic Framework Nanoparticles
Authors: Wang Shunzhi , McGuirk C. Michael , d'Aquino Andrea , Mason Jarad A. , Mirkin Chad A.
Published: June 2018

Due to their well‐defined 3D architectures, permanent porosity, and diverse chemical functionalities, metal–organic framework nanoparticles (MOF NPs) are an emerging class of modular nanomaterials. Herein, recent developments in the synthesis and postsynthetic surface functionalization of MOF NPs that strengthen the fundamental understanding of how such structures form and grow are highlighted; the internal structure and external surface properties of these novel nanomaterials are highlighted as well. These fundamental advances have resulted in MOF NPs being used as components in chemical sensors, biological probes, and membrane separation materials, as well as building blocks for colloidal crystal engineering.
Measuring Water‐Related Environmental Impacts of Organizations: Existing Methods and Research Gaps
Authors: Forin Silvia , Berger Markus , Finkbeiner Matthias
Published: June 2018

Water scarcity is one of the most threatening challenges of the twenty‐first century. Production processes have impacts on local water resources throughout their entire (often transboundary) value chain. This has been addressed in the last decade at the corporate level by developing and applying a broad set of approaches with different focuses and scopes. This paper reviews and evaluates existing approaches with the following aims: i) providing guidance for practitioners concerning the suitability of available methods and tools for different applications; ii) providing a scientifically robust criteria‐based comparison identifying the strengths and weaknesses of existing approaches to stimulate future method development. Eight literature‐based criteria for a suitable method for organizations are identified: documentation and transparency, scientific soundness, environmental relevance, organizational system boundaries, broadness of application, ease of application, stakeholder's acceptance, and transformative potential, specified by a total of 22 subcriteria. Nine existing approaches for measuring water‐related impacts of organizations are evaluated accordingly. These show diverging performance. Based on the overall evaluation results, taking Water Footprint (ISO 14046) as a global information tool is recommended, in combination with the Water Stewardship approach, to link assessment results to concrete mitigation measures.
Singulettspaltung für Photovoltaikanwendungen mit Injektionseffizienzen von bis zu 130 %
Authors: Kunzmann Andreas , Gruber Marco , Casillas Rubén , Zirzlmeier Johannes , Stanzel Melanie , Peukert Wolfgang , Tykwinski Rik R. , Guldi Dirk M.
Published: June 2018

Ein neuartiges Pentacendimer (P2) und ein strukturell analoges Monomer (P1) wurden für die Anwendung in n‐Typ‐Farbstoffsolarzellen entwickelt. Für P2 wird erwartet, dass die angeregten Triplettzustände durch einen schnellen und spinerlaubten Prozess mit Ladungsträgermultiplikation (Singulettspaltung) gebildet werden. Dagegen wird für P1 eine Begünstigung des langsameren, da spinverbotenen, Intersystem‐Crossings erwartet. Für P2 wurde eine Positionierung der beiden Pentaceneinheiten sowie des Carboxylatankers jeweils in meta‐Position gewählt, um die intramolekulare Dynamik der Singulettspaltung und Elektroneninjektion zu erhöhen. Die Elektroneninjektion aus den energetisch niedrig liegenden, angeregten Triplettzuständen der Pentacenderivate erforderte jedoch die intrinsische und extrinsische Herabsetzung des Fermi‐Niveaus des Halbleiters. Indiumzinkoxid in Gegenwart von Lithium erwies sich als optimale Wahl für die Photoelektrode. Es wurde eine effiziente Elektroneninjektion aus den angeregten Triplettzuständen von P1 und P2 erzielt, mit einer Ladungsträgermultiplikation von nahezu 130 % für P2.
A Microporous Covalent–Organic Framework with Abundant Accessible Carbonyl Groups for Lithium‐Ion Batteries
Authors: Luo Zhiqiang , Liu Luojia , Ning Jiaxin , Lei Kaixiang , Lu Yong , Li Fujun , Chen Jun
Published: June 2018

A key challenge faced by organic electrodes is how to promote the redox reactions of functional groups to achieve high specific capacity and rate performance. Here, we report a two‐dimensional (2D) microporous covalent–organic framework (COF), poly(imide‐benzoquinone), via in situ polymerization on graphene (PIBN‐G) to function as a cathode material for lithium‐ion batteries (LIBs). Such a structure favors charge transfer from graphene to PIBN and full access of both electrons and Li+ ions to the abundant redox‐active carbonyl groups, which are essential for battery reactions. This enables large reversible specific capacities of 271.0 and 193.1 mAh g−1 at 0.1 and 10 C, respectively, and retention of more than 86 % after 300 cycles. The discharging/charging process successively involves 8 Li+ and 2 Li+ in the carbonyl groups of the respective imide and quinone groups. The structural merits of PIBN‐G will trigger more investigations into the designable and versatile COFs for electrochemistry.
Unexpected link between insect innexins and apoptosis of HeLa cells
Authors: Zhang Wei , Liu Meng‐Wei , Li Ming , Xiao Wei , Zhang Xue‐Wen , He Hao‐Juan , Chen Ya‐Bin , Ding Lei , Luo Kai‐Jun
Published: June 2018

Little is known about how mammalian cells respond to the expression of innexins (Inxs), which are known to mediate cell‐to‐cell communication that causes apoptosis in the cells of the insect Spodoptera litura. The mammalian expression system, p3xFLAG tag protein, containing the CMV promoter, allowed us to construct two C‐terminally elongated innexins (Cte‐Inxs), SpliInx2 (Inx2‐FLAG), and SpliInx3 (Inx3‐FLAG), which were predicted to have the same secondary topological structures as the native SpliInx2 and SpliInx3. Here, we found that only the mRNAs of the two Cte‐Inxs were expressed under the control of the CMV promoter in HeLa cells. Unexpectedly, mRNA expression of the two Cte‐Inxs enhanced apoptosis of HeLa cells. The two Cte‐Inx mRNAs were associated with a significant decrease in Akt phosphorylation in HeLa cells undergoing apoptosis. Furthermore, Inx3‐FLAG mRNA expression in nonapoptotic HCT116 cells was also associated with a significant decrease in the levels of phosphorylated Akt. Intriguingly, expression of the mRNAs of the two Cte‐Inxs did not activate caspase 3, but it markedly reduced Bid levels in HeLa cells undergoing apoptosis. These results suggest that mRNA expression of the two Cte‐Inxs may activate a Bid‐dependent apoptotic pathway in HeLa cells. Our study demonstrates that invertebrate gap junction mRNAs can function in vertebrate cancer cells as tumor suppressors.
Data‐Driven Performance Monitoring for Model Predictive Control Using a mahalanobis distance based overall index
Authors: Xu Yanting , Zhang Guangming , Li Ning , Zhang Jing , Li Shaoyuan , Wang Lu
Published: June 2018

This paper proposes a data‐driven approach for model predictive control (MPC) performance monitoring. It explores the I/O data of the MPC system. First, to evaluate the MPC performance and capture the fluctuation of the process variables, we present an overall performance index based on Mahalanobis distance (MDBI) with its deduced benchmark. The Mahalanobis distance can better characterize the change of the process variable in both principal component space and residual space. As the proper vectors of the two spaces are orthogonal, the MDBI eliminates the correlation between the process variables while considering the variables’ characteristics in both spaces simultaneously, which helps evaluate the MPC performance more effectively with fewer monitoring parameters. Furthermore, for the MPC performance diagnosis, we use the MDBI as inputs and construct a support vector machine (SVM) pattern classifier. The classifier can achieve a higher accuracy when recognizing four common performance degradation patterns and determine the root cause of performance degradation. The results of simulations on the Wood‐Berry distillation column process and experiments on NIAT multifunctional experiment platform illustrate the effectiveness of the proposed performance assessment/diagnosis strategies.
Suggestion for the search of 2‐aminoethanol in a cosmic object
Authors: Sharma M. K. , Sharma M. , Chandra S.
Published: June 2018

The compound 2‐aminoethanol is considered a precursor to amino acid in interstellar space. Thus, scientists searching for life in the universe have a great interest in its investigation, and therefore, its laboratory spectrum has been analyzed from time to time. It has a large electric dipole moment with components along all the three principal inertial axes: μa = 2.75 D, μb = 1.07 D, and μc = 0.77 D. Corresponding to each component, the energy levels can be classified into two sets. For each of the six sets, using the spectroscopic data of 2‐aminoethanol, we have calculated energies of 150 rotational levels in the ground vibrational state and ground electronic state. For rotational transitions, we have calculated the line intensities and Einstein A‐coefficients. For each set, using the Einstein A‐coefficients and scaled values of the collisional rate coefficients, we have solved a set of 150 statistical equilibrium equations coupled with the equations of radiative transfer. In the model, there is a cosmic microwave background corresponding to a temperature of 2.73 K. The brightness temperatures of all the b‐type and c‐type transitions are found to be nearly equal to the background temperature. Eight a‐type transitions are found to demonstrate the anomalous absorption. These transitions may play an important role for the identification of 2‐aminoethanol in a cosmic object.
Energy Balance of a Trunk Main Network in Bangkok, Thailand
Authors: Lapprasert Sutthisak , Pornprommin Adichai , Lipiwattanakarn Surachai , Chittaladakorn Suwatana
Published: June 2018

The water distribution network of Metropolitan Waterworks Authority (MWA) in Bangkok, Thailand, was redesigned from a looped system to a district metered area (DMA) system. By modeling the MWA trunk main network to calculate the energy balance, the energy supplied to the network was 277 MW·h/day, but only 49.8% of this input energy was delivered to DMAs. One of the highest energy losses in the trunk main network was surprisingly found in the short feed lines from trunk mains to distribution pipes where district flowmeters are installed (18.8% of the input energy). One of the main reasons is that a large number of the feed lines have been closed to establish a DMA system. Thus, energy loss at the feed lines should be assessed thoroughly because they can be vulnerable points in terms of energy efficiency when water networks are redesigned to DMA systems.
ATPR‐induced G0/G1 phase arrest in gastric cancer cells by regulating the binding of 14‐3‐3ε and filamin A
Authors: Zhao Yingli , Fang Xing , Fang Hui , Feng Yubin , Chen Feihu , Xia Quan
Published: June 2018

4‐amino‐2‐trifluoromethyl‐phenyl retinate (ATPR) was able to induce the G0/G1 phase arrest in gastric cancer SGC‐7901 cells by downregulating 14‐3‐3ε. However, the mechanisms underlying this effect have not been fully elucidated. Because 14‐3‐3ε functions as a molecular chaperone on cell cycle regulation, the interaction between 14‐3‐3ε and the target proteins is worth an in‐depth study. In this study, the use of targeting proteomics identified 352 14‐3‐3ε‐binding proteins in SGC‐7901 cells. Analysis of gene ontology (GO) was performed using PANTHER to annotate the biological processes, protein classes, and pathways of these proteins. In 25 cell cycle‐related proteins, filamin A was reduced following ATPR treatment, and this change was validated by immunoprecipitation. The cell cycle was arrested at the G0/G1 phase following ATPR treatment or filamin A silencing in SGC‐7901 cells. Furthermore, subcellular expression analysis showed that 14‐3‐3ε and filamin A were transferred from the cytoplasm to the nucleus after ATPR treatment. On the other hand, overexpression of 14‐3‐3ε, in SGC‐7901 cells, resulted in an increase in the total cellular level of filamin A and an increase in the subcellular localization of filamin A in the cytoplasm. ATPR treatment of the 14‐3‐3ε overexpression cells decreased the total level of filamin A and redistributed filamin A protein from the cytoplasm to the nucleus. Immunohistochemical analysis showed that the expression levels of 14‐3‐3ε and filamin A in gastric cancer tissues were significantly higher, with a predominant localization in the cytoplasm, compared to the levels in matched tissues. Taken together, our results suggest that ATPR can induce nuclear localization of filamin A by reducing the binding of 14‐3‐3ε and filamin A, which may be the mechanism of ATPR‐induced G0/G1 phase arrest.
Electron Flow in Large Metallomacromolecules and Electronic Switching of Nanoparticle Stabilization: Click Ferrocenyl Dentromers that Reduce AuIII to Au Nanoparticles
Authors: Wang Qi , Fu Fangyu , Martinez‐Villacorta Angel M. , Moya Sergio , Salmon Lionel , Vax Amélie , Hunel Julien , Ruiz Jaime , Astruc Didier
Published: June 2018

Click ferrocenyl‐terminal dentromers, a family of arene‐cored dendrimers with triple branching (9‐Fc, 27‐Fc, 81‐Fc, and 243‐Fc), reduce AuIII to ferricinium dentromer‐stabilized Au nanoparticles (AuNPs). Cyclic voltammetry studies in CH2Cl2 show reversible CV waves with some adsorption for the 243‐Fc dentromer and the number of redox groups found, 255±25, by using the Bard–Anson method, is close to the theoretical number of 243. The dentromers reduce aqueous HAuCl4 to water‐soluble ferricinium chloride dentromer‐stabilized AuNPs with core sizes between 30 and 47 nm. These triazolylferricinium dentromer‐stabilized AuNPs are reduced by cobaltocene to cobalticinium chloride and ferrocene dentromer weakly stabilized AuNPs together with a redshift of the AuNP plasmon. The weakness of the AuNP stabilization is characterized by dentromer extraction with CH2Cl2 along with irreversible AuNP agglomeration for the 9, 27, and 81‐ferrocenyl dentromer, with only the 243‐ferrocenyl dentromer‐AuNP withstanding this process. Altogether, this demonstrates the electronic switching of the dentromer‐mediated AuNP stabilization.
From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry
Authors: Han Shujuan , Zhang Bingbing , Yang Zhihua , Pan Shilie
Published: June 2018

Introducing fluorine into borates indicates the direction for structural evolution. A new fluorooxoborate, NaRbB6O9F2 featuring a unique [B6O9F2]∞ layered structure and excellent optical properties has been synthesized. It is further demonstrated that incorporation of fluorine can enrich the structural chemistry of borates.
Exploring Active Sites in Multi‐Heteroatom‐Doped Co‐Based Catalysts for Hydrogen Evolution Reactions
Authors: Shahraei Ali , Martinaiou Ioanna , Creutz K. Alexander , Kübler Markus , Weidler Natascha , Ranecky Simon T. , Wallace W. David Z. , Nowroozi Mohammad Ali , Clemens Oliver , Stark Robert W. , Kramm Ulrike I.
Published: June 2018

Today, metal–N‐ as well as metal–S‐doped carbon materials are known to catalyze the hydrogen evolution reaction (HER). However, especially N‐ and S‐co‐doped catalysts reach highest activity, but it remains unclear if the activity is related to MNx or MSy (M=metal) sites. In this work we apply a simple method for multi‐heteroatom doping and investigate the effect of cobalt content on the HER in acidic medium. The CoNx and CoSy sites were evidenced on the basis of structural characterization by Raman, X‐ray induced photoelectron spectroscopy, and TEM. The presence of sulfur enables the formation of a larger number of CoNx sites. Structure–performance relationship proves that the HER activity is dominated by CoNx rather than CoSy sites. The most active catalysts also exhibit an excellent stability under galvanostatic conditions making them of interest for electrolyser application.
Atropisomerism in Rilpivirine hydrochloride: Spectroscopic characterization of Rilpivirine and related impurities
Authors: Natarajan Senthilkumar , Salmara Ganeshbhat Hiriyanna , Shrivastava Sujeet , Sankareswaran Srimurugan , Kumar Pramod
Published: June 2018

Nuclear magnetic resonance (NMR) technique has been used to find the property of atropisomerism in Rilpivirine hydrochloride by variable temperature analysis and various 2D techniques. Both the Rilpivirine hydrochloride (E‐isomer) and Impurity‐A (Z‐isomer) isomers have been differentiated and confirmed by NMR and ultraviolet techniques. Preparative high‐performance liquid chromatography isolation for Impurity‐A is followed by spectroscopic (NMR, mass spectra, and infrared) investigation that provides a perfect solution for determination of the structure of Rilpivirine and related impurities.
Synthesis of Substituted Naphthalenes by 1,4‐Palladium Migration Involved Annulation with Internal Alkynes
Authors: Wei Dong , Hu Tian‐Jiao , Feng Chen‐Guo , Lin Guo‐Qiang
Published: June 2018

The palladium catalyzed annulation of 1‐bromo‐2‐vinylbenzene derivatives with internal alkynes was realized for the efficient synthesis of substituted naphthalenes. A controllable aryl to vinylic 1,4‐palladium migration process is the key for success.
Fluorescein‐Loaded Solid Lipid Nanoparticles Based on Monoamine Pillar[5]arene: Synthesis and Interaction with DNA
Authors: Yakimova L. S. , Shurpik D. N. , Guralnik E. G. , Evtugyn V. G. , Osin Y. N. , Stoikov I. I.
Published: June 2018

Present research is the first example to use pillar[5]arene for creation fluorescein‐loaded solid lipid nanoparticles and release dye during interaction with DNA ‐ potential delivery system of the imaging agent. Monoamine functionalized pillar[5]arene was synthesized for preparation of the solid lipid nanoparticles (SLN) with/without luminescent marker (fluorescein). Interestingly, presence of a single tail‐group in the pillar[5]arene has opened wide opportunities for the formation of the various types of pillararene‐based assemblies, i. e., pseudorotaxanes, supramolecular polymers and SLNs, varying the solvents.
Favourable outcomes for childhood acute lymphoblastic leukaemia in an isolated setting: The Tasmanian experience
Authors: Heath John A. , Macdonald Molly , Starosta Helen , Hitchins Samuel , Wills Karen , Daubenton John D.
Published: June 2018

Background

Tasmania is a large, relatively isolated island located south of mainland Australia with limited tertiary level paediatric oncology services.

Aims

To benchmark regional outcomes for childhood acute lymphoblastic leukaemia (ALL) against published international standards.

Methods

We undertook a retrospective cohort study, analysing the clinical characteristics and health outcomes of all children diagnosed with and treated for ALL in Tasmania, Australia between 2006 and 2015.

Results

Thirty‐five patients aged less than 18 years were diagnosed with ALL in the study's 10‐year period. Twenty‐eight cases were precursor B cell in origin, with 7 cases of T‐cell ALL. The great majority of children (30/35; 86%) received their entire first line treatment in Tasmania. Major treatment‐related toxicities, including allergic drug reactions, and episodes of acute pancreatitis, deep venous thrombosis and bacterial sepsis, were managed locally, with one death secondary to overwhelming infection and multiorgan failure. The overall and event‐free survival rates for childhood ALL were 30/35 (86%) and 28/35 (80%), respectively.

Conclusions

These results compare favourably with published results from large international cooperative group trials based in developed countries. Continued local treatment with appropriate support from a dedicated specialist paediatric oncology unit is therefore justified.
A Self‐Supported λ‐MnO2 Film Electrode used for Electrochemical Lithium Recovery from Brines
Authors: Xu Xin , Zhou You , Feng Zhiwen , Kahn Naeem Ullah , Haq Khan Zia Ul , Tang Yang , Sun Yanzhi , Wan Pingyu , Chen Yongmei , Fan Maohong
Published: June 2018

Lithium recovery from an aqueous resource was accelerated by electrochemically driving the transformation of MnIV/MnIII with a spinel λ‐MnO2 film electrode. A λ‐MnO2 electrode without binders or conductive additives is preferred for achieving a large capacity at high current density and long‐term cycling capability. In this study, a film of Mn(OH)2 was first deposited on the surface of Pt or graphite substrates owing to alkalization near the cathode, then it was oxidized to a Mn3O4 film by air, followed by being hydrothermally lithiated to LiMn2O4 spinel and, finally, it was turned into the λ‐MnO2 film electrode through potentiostatic delithiation. The results show that the charging/discharging electric capacity of the fabricated λ‐MnO2 film electrode was up to ≈100 mAh g−1 at a current density of 50 mA g−1 in 30 mm Li+ aqueous solution, twice that of the λ‐MnO2 powder electrode. Also, 82.3 % lithium capacity remained after 100 cycles of an electrochemically assisted lithium recovery process, indicating high availability and good stability of the λ‐MnO2 spinel on the electrode. The energy consumption for each cycle is estimated to be approximately 1.55±0.09 J, implying that only 4.14 Wh is required for recovery of one mole of lithium ions by this method.
Clicking Biobased Polyphenols: A Sustainable Platform for Aromatic Polymeric Materials
Authors: Buono Pietro , Duval Antoine , Avérous Luc , Habibi Youssef
Published: June 2018

Lignin, tannins, and cashew nut shell liquid are considered the main sources of aromatic‐based macromolecules. They represent an abundant alternative feedstock for the elaboration of aromatic chemicals and polymers, with a view to replacing some fossil‐based fractions. Located in different tissues of plants, these compounds, with a large diversity and structural complexity, have, to date, been considered as byproducts derived from fractionation–separation industrial processes with low added value. In the last decade, the use of click chemistry as a tool for the synthesis of controlled macromolecular architectures has seen much development in fundamental and applied research for a wide range of applications. It could represent a valid solution to overcome the main limitations encountered in the chemical modification of natural sources of chemicals, with an environmentally friendly approach to create new substrates for the development of innovative polymers and materials. After a brief description of the main aromatic biopolymers, including the main extraction techniques, along with their structure and their properties, this Review describes chemical modifications that have mainly been focused on natural polyphenols, with the aim of introducing clickable groups, and their further use for the synthesis of biobased materials and additives. Special emphasis is given to several as‐yet unexplored chemical features that could contribute to further fundamental and applied materials science research.
Study of atmospheric attenuation characteristics of terahertz wave based on line‐by‐line integration
Authors: Jing Qingfeng , Liu Danmei
Published: June 2018

Terahertz band communication promises new solution for satisfying the increasing demand for ultrahigh‐speed wireless communication. Channel models capturing the unique peculiarities of the terahertz (THz) band are required for communication systems designing. Extreme high molecular absorption is a distinctive phenomenon that has to be involved in terahertz communication models. Research in this field has mainly focused on the characteristics along the horizontal propagation path. In this paper, we developed a unified molecular absorption model along the slant propagation path of the THz wave, based on the line‐by‐line integration method developed by Van‐Vleck and Weisskopf and combining the molecular spectral line in the HITRAN database. Then, an in‐depth analysis on the THz channel characteristics is carried out by the developed propagation models. The attenuation characteristics of terahertz waves with frequencies in the range of 0.1 to 1 THz are analyzed by theoretical and mathematical modeling. The results show that the terahertz communication channel has a strong dependence on both the molecular composition of the medium and the transmission distance. The experimental results also indicate the strong absorption frequency points, weak absorption frequency points, and spectral windows.
Climatic adaptation and ecological descriptors of wild beans from Mexico
Authors: Cerda‐Hurtado Ivon M. , Mayek‐Pérez Netzahualcoyotl , Hernández‐Delgado Sanjuana , Muruaga‐Martínez José S. , Reyes‐Lara Martín A. , Reyes‐Valdés Manuel Humberto , González‐Prieto Juan M.
Published: June 2018

Despite its economic, social, biological, and cultural importance, wild forms of the genus Phaseolus are not well represented in germplasm banks, and they are at great risk due to changes in land use as well as climate change. To improve our understanding of the potential geographical distribution of wild beans (Phaseolus spp.) from Mexico and support in situ and ex situ conservation programs, we determined the climatic adaptation ranges of 29 species and two subspecies of Phaseolus collected throughout Mexico. Based on five biotic and 117 abiotic variables obtained from different databases—WorldClim, Global‐Aridity, and Global‐PET—we performed principal component and cluster analyses. Germplasm was distributed among 12 climatic types from a possible 28. The general climatic ranges were as follows: 8–3,083 m above sea level; 12.07–26.96°C annual mean temperature; 10.33–202.68 mm annual precipitation; 9.33–16.56 W/m2 of net radiation; 11.68–14.23 hr photoperiod; 0.06–1.57 aridity index; and 10–1,728 mm/month of annual potential evapotranspiration. Most descriptive variables (25) clustered species into two groups: One included germplasm from semihot climates, and the other included germplasm from temperate climates. Species clustering showed 45% to 54% coincidence with species previously grouped using molecular data. The species P. filiformis, P. purpusii, and P. maculatus were found at low‐humidity locations; these species could be used to improve our understanding of the extreme aridity adaptation mechanisms used by wild beans to avoid or tolerate climate change as well as to introgress favorable alleles into new cultivars adapted to hot, dry environments.