bluuebunny/crossref_metadata_2025 huggingface dataset:
Nonprofit and public sector interorganizational collaboration in disaster recovery: Lessons from the field
Authors: Curnin Steven , O'Hara Danielle
Published: September 2019

Recent disasters have identified that interorganizational collaboration is often fraught with complexity. This article explores interorganizational collaboration in the nonprofit and public sectors during the disaster recovery efforts after a catastrophic flooding event. Based on a series of in‐depth interviews with practitioners involved in the recovery following a flooding event, the findings offer insights into the barriers and mechanisms used to facilitate collaboration. In disaster recovery, collaboration is reliant on established interorganizational structures and trusting relationships. Role clarity is the link between these two characteristics, and this article posits the association between this and the concept of swift trust to facilitate collaboration. Theoretically, this article extends an existing multidimensional model of collaboration into the context of emergency management. Importantly, it also offers a tangible output for industry in the form of an aide‐mémoire for collaborating in disaster recovery.
Light‐Driven Diselenide Metathesis in Peptides
Authors: Waliczek Mateusz , Pehlivan Özge , Stefanowicz Piotr
Published: September 2019

Peptides containing selenocysteine moieties are susceptible to non‐catalytic reactions of diselenide bonds metathesis induced by visible light. In contrast to previously reported radical metathesis of disulfide bridges in cysteine derivatives, this newly developed reaction is fast and clean, and proceeds without decomposition of peptides and without formation of side products. The diselenide bond in peptides was reported in literature to be more stable than the disulfide one and also less susceptible to metathesis induced by thiols and reducing reagents. We demonstrated that visible light induces fast metathesis of Se−Se bonds in peptides. This reaction is important for the folding of peptides containing selenocysteine residues and may find application in designing dynamic combinatorial libraries of peptides responsive to external influence.
Efficient Protocol for Synthesis of β‐Hydroxy(alkoxy)selenides via Electrochemical Iodide‐Catalyzed Oxyselenation of Styrene Derivatives with Dialkyl(aryl)diselenides
Authors: Chen Jinyang , Mei Lan , Wang Haiying , Hu Li , Sun Xiaorui , Shi Jianwei , Li Qiang
Published: September 2019

An efficient protocol for the synthesis of β‐hydroxy(alkoxy)selenides was developed through the electrochemical iodide‐catalyzed oxyselenation of styrene derivatives with dialkyl(aryl)diselenides under mild reaction conditions. Mechanistic studies showed that the cation I+ is involved during the whole process, and accelerates the formation of seleniranium ion via substitution and addition reaction with dialkyl(aryl)diselenides and styrene derivatives. The corresponding products are formed in good to excellent yields. This electrochemical oxyselenation provides an efficient strategy for difunctionalization of alkenes.
Satoumi: Re‐connecting people to nature for sustainable use and conservation of coastal zones
Authors: Uehara Takuro , Hidaka Takeshi , Matsuda Osamu , Sakurai Ryo , Yanagi Tetsuo , Yoshioka Taisuke
Published: September 2019

In addition to the management of marine protected areas, the management of non‐protected areas is integral to sustainable use and conservation of coastal zones.

The human–nature connection has drawn increasing attention in the Western society because the disconnect from nature is a root cause of ecological crises and unsustainability. Re‐connecting is a promising avenue.

We propose satoumi creation as an approach for the sustainable use and conservation of coastal zones by re‐connecting people to nature. Satoumi is a Japanese term describing a desirable state of coastal zones with enhanced biodiversity and productivity realized by active human intervention.

Although satoumi is promising, previous discussions have been narrowly focused on ecosystems. We reconsidered satoumi from a social‐ecological system (SES) perspective to elucidate the full spectrum of its key features. The human–nature connection is an integral part of satoumi. Satoumi engenders relational values in addition to instrumental and intrinsic values.

Satoumi as a state is one thing and its creation another. We cannot merely transplant a successful satoumi to other locations. Furthermore, because coastal SESs are complex, systemic transformation into satoumi requires identifying deep leverage points. We propose a certain marine education at schools that could function as a deep leverage point. The education corresponds to the three realms of deep leverage for sustainability transformation: re‐structure, re‐connect and re‐think.

A free Plain Language Summary can be found within the Supporting Information of this article.
Synthesis and characterization of chemically stable sulfonated copoly(triazole imide)s with high proton conductivity
Authors: Singh Asheesh , Kumar Anaparthi G. , Saha Sayantani , Mukherjee Rajdeep , Bisoi Soumendu , Banerjee Susanta
Published: September 2019

The synthesis and characterization of a series of new sulfonated copoly(triazole imide)s (PTPQSH‐XX) are reported in this work. The PTPQSH‐XX with different degree of sulfonation (DS) were prepared by click polymerization of equimolar amounts of a diimide‐based dialkyne monomer, namely bis‐N,N′‐(prop‐2‐ynyl)pyromellitic diimide (TP) and a mixture of two different diazide monomers (one sulfonated, 4,4‐bis[3′‐trifluoromethyl‐4′{4‐azidobenzoxy} benzyl] biphenyl, and another nonsulfonated, 4,4′‐diazido‐2,2′‐stilbene disulfonic acid disodium salt [SAZ]), in different molar ratios. The copolymers showed high inherent viscosity (1.12–1.28 dL/g) in n‐methyl pyrrolidone (NMP) indicating the formation of high molar masses. Freestanding membranes were prepared from these copolymers by solution casting method. DS of the copolymers was determined from 1H NMR signal intensities, and the values were in good agreement with the quantity of SAZ monomer used in polymer feed, indicating the successful incorporation of the sulfonated monomer. The copolymers exhibited high thermal and mechanical stabilities. The PTPQSH‐80 membrane showed proton conductivity as high as 178 mS/cm at 90°C with good oxidative and hydrolytic stability. Cross‐sectional transmission electron microscope micrographs of the membranes indicated phase segregated morphology along with interconnected hydrophilic domains with dimension in the range 15–150 nm. POLYM. ENG. SCI., 59:2279–2289, 2019. © 2019 Society of Plastics Engineers
The cognitive assessment course: Two decades later
Authors: Lockwood Adam B. , Farmer Ryan L.
Published: September 2019

Given significant changes to legislation, practice, research, and instrumentation, the purpose of this study was to examine the course on cognitive assessment in school psychology programs and to describe the (a) structure, (b) instructional strategies, (c) content, and (d) interpretative strategies taught to school psychology graduate students. One hundred and twenty‐seven instructors were surveyed, and results suggest that over the last 20 years support for teaching cognitive assessment has decreased while the content and instructional strategies have remained largely the same. Results of this study also indicate that the interpretation strategies taught to rely heavily on Cattell–Horn–Carroll theory and related interpretive frameworks (e.g., cross‐battery assessment). Additionally, instructors are placing greater emphasis on multicultural sensitivity/culturally and linguistically diverse assessment than in previous decades. Implications for future research, training, and practice are discussed.
Survey of current treatment practices for venous thromboembolism in patients with cystic fibrosis
Authors: Ratté Morgan T. , Jones Aubrey E. , Witt Daniel M. , Young David C.
Published: September 2019

Background

Patients with cystic fibrosis (CF) and venous thromboembolism (VTE) pose therapeutic challenges including potential drug interactions between CF‐related therapies and anticoagulants. Despite these challenges, there are no recommendations for VTE management specific to patients with CF. Our objective was to describe VTE treatment practices among Cystic Fibrosis Foundation (CFF)‐accredited care centers and affiliate programs in the United States.

Methods

An online survey was distributed to CF center directors. The survey included questions regarding centers’ demographics and posed a series of hypothetical clinical scenarios to gather centers’ VTE treatment practices including choice of anticoagulant, dosing practices, duration decisions, and monitoring efforts. Descriptive statistics were utilized to summarize the survey results.

Results

The survey response rate was 56.3%. Most centers reported treating zero to five VTE episodes per year. The following anticoagulants were used most often for VTE treatment: low‐molecular‐weight heparin (LMWH) (73.2%), apixaban (36.6%), warfarin (35.2%), rivaroxaban (33.8%), and unfractionated heparin (18.3%). On a scale of 0 to 100, the median confidence level in managing anticoagulant therapy was 50. Many centers expressed a desire for a CF‐specific VTE treatment guideline. The most commonly cited challenging clinical situations were managing anticoagulant therapy complications (26.5%) and drug‐drug interactions (21.3%). For common VTE scenarios, pediatric patients were most often treated with LMWH and warfarin, whereas adult patients were more often treated with apixaban or rivaroxaban.

Conclusions

Survey results indicated CF care centers find managing VTE in patients with CF challenging and indicated that a CF‐specific VTE treatment guideline would be helpful.
Immediate effect of horse riding simulator on adductor spasticity in children with cerebral palsy: A randomized controlled trial
Authors: Hemachithra C. , Meena N. , Ramanathan R. , Felix A.J.W.
Published: September 2019

Background

Spastic cerebral palsy (CP) is the most common type of CP. Hip adductor spasticity leads to discomfort, stiffness, and difficulties in doing physical activities such as sitting, transfer, and walking. Management of hip adductor spasticity is still a challenge in the field of rehabilitation. Horse riding simulator (HRS) has been reported to have beneficial effects on spasticity, postural control, and motor function in children with spastic CP.

Objective

The aim of the study was to determine the immediate effect of HRS on adductor spasticity in children with CP.

Methods

Twenty‐four children with CP were selected and were divided into two groups: experimental and control (12 children in each group). Experimental group was exposed to HRS and control group to the corner seat placement. Adductor tone and passive hip abduction range of motion were measured before and after the intervention.

Results

Post intervention scores in the group of HRS show significant reduction in adductor spasticity and improvement in hip abduction range of motion, whereas no difference have been reported in the control group. HRS has positive effects on reducing spasticity and improving range of motion in hip joint in spastic CP.

Conclusion

It was concluded that immediate effect of HRS is successful in reducing the adductor spasticity and improving abduction range of motion in hip, which could be incorporated with regular physiotherapy intervention.
Microbial HemG‐type protoporphyrinogen IX oxidase enzymes for biotechnology applications in plant herbicide tolerance traits
Authors: Larue Clayton T , Ream Joel E , Zhou Xuefeng , Moshiri Farhard , Howe Arlene , Goley Michael , Sparks Oscar C , Voss Steven T , Hall Erin , Ellis Christine , Weihe Janice , Qi Qungang , Ribeiro Daniela , Wei Xiaoping , Guo Shirley , Evdokimov Artem G , Varagona Marguerite J , Roberts James K
Published: September 2019

BACKGROUND

Protoporphyrinogen IX oxidase (PPO)‐inhibiting herbicides act by inhibiting a key enzyme in the heme and chlorophyll biosynthetic pathways in plants. This enzyme, the PPO enzyme, is conserved across plant species. However, some microbes are known to utilize a unique family of PPO enzymes, the HemG family. This enzyme family carries out the same enzymatic step as the plant PPO enzymes, but does not share sequence homology with the plant PPO enzymes.

RESULTS

Bioinformatic analysis was used to identify putative HemG PPO enzyme variants from microbial sources. A subset of these variants was cloned and characterized. HemG PPO variants were characterized for functionality and tolerance to PPO‐inhibiting herbicides. HemG PPO variants that exhibited insensitivity to PPO‐inhibiting herbicides were identified for further characterization. Expression of selected variants in maize, soybean, cotton and canola resulted in plants that displayed tolerance to applications of PPO‐inhibiting herbicides.

CONCLUSION

Selected microbial‐sourced HemG PPO enzyme variants present an opportunity for building new herbicide tolerance biotechnology traits. These traits provide tolerance to PPO‐inhibiting herbicides and, therefore, could provide additional tools for farmers to employ in their weed management systems. © 2019 Society of Chemical Industry
Carbon Nanotubes for Mechanical Sensor Applications
Authors: Wagner Christian , Blaudeck Thomas , Meszmer Peter , Böttger Simon , Fuchs Florian , Hermann Sascha , Schuster Jörg , Wunderle Bernhard , Schulz Stefan Eberhard
Published: September 2019

Herein, the evolution of carbon nanotubes (CNTs) as functional material in nano‐ and microelectromechanical systems (N/MEMS) is featured. Introducing material morphologies for the CNTs in a homologue series (single CNTs—bundles, fibers, yarns—networks and thin films), different concepts for mechanical sensors based on the intrinsic and extrinsic properties of the CNT materials are introduced (piezoresistive effect, strain‐induced band bending, charge tunneling). In a rigorous theoretical treatment, the limits of the achievable sensor performance (i.e., gauge factor) are derived and discussed in the context of applications. A careful literature survey shows that highest sensitivity is reached for devices exploiting the intrinsic transport properties of single CNTs. For reliability tests of such sensor systems made from nanomaterials and classical MEMS, the specimen‐centered approach (SCA) is introduced to give viable insights into the structure property relationships and failure modes of CNT mechanical sensors. CNT actuation occurs on the macro‐, micro‐, and nanoscales via atomic force microscopy, electrostatic gating, integration in N/MEMS systems, or through substrate bending.
Inverting the external‐potential‐to‐electron density map in systems of electrons by minimization of a least‐squares fit functional for analytic potentials
Authors: Pérez‐Jordá José M.
Published: September 2019

In a system of electrons, there is a map connecting any external potential v with its electron density ρ
v. In this work, we describe a procedure for inverting this potential‐to‐density map, so that potentials (if any) corresponding to a target density
ρt can be obtained. We give the trial external potential
v
α, an analytic expression depending on a number of parameters
α = (α1, …) and then minimize the least‐squares integral ∫(ρ
α − ρt)2 dr by the conjugate gradient method, where
ρ
α is the density corresponding to
v
α. The implementation takes advantage of the analytic nature of
v
α. The procedure can be applied to any system and quantum chemistry model, and works both for ground and excited states, as well as for ensembles of states. The method is tested with some excited states of the particle‐in‐a‐box model, confirming the lack of a Hohenberg–Kohn theorem for excited states. It is also applied to the first singlet excited state of the helium atom, where, apart from the nucleus–electron attraction potential, some generalized external potentials are found.
Determination of synthetic cathinone α‐pyrrolidinovalero‐phenone and its metabolite in urine using solid‐phase extraction and gas chromatography–mass spectrometry
Authors: Cheng Kai‐Wen , Hsieh Chien‐Ming , Chen Huei‐Wen , Chi Pin‐Chieh , Yang Da‐Peng , Chan She‐Hung , Chen Ju‐Yu , Hwa Hsaio‐Lin , Fang Cheng‐Chung , Weng Te‐I , Chen Pai‐Shan
Published: September 2019

Rationale

The presence of α‐pyrrolidinovalerophenone (α‐PVP) and its metabolites in urine is evidence of the administration of α‐PVP. A toxicological challenge is that the metabolites of α‐PVP exhibit amphoteric properties, which make them unsuitable for detection using gas chromatography–mass spectrometry (GC/MS). In the study reported, proper derivatization and sample extraction were essential for improving the sensitivity for GC/MS analysis.

Methods

An automated solid‐phase extraction (SPE) method has been developed and optimized. The derivatization efficiency was tested using longer reaction time and the addition of polar pyridine into a mixture of N,O‐bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1% trimethylchlorosilane. Method validation, including linearity, limit of detection, precision, accuracy, and recovery, was evaluated using automatic SPE and GC/MS.

Results

The results suggested that adding pyridine to BSTFA (1:1, v/v) significantly improved derivatization efficiency and precision. After optimization, the linear range was from 25 to 1000 ng mL−1 with R2 > 0.9950. The limit of detection was 5 ng mL−1 for α‐PVP and 25 ng mL−1 for OH‐α‐PVP. The recovery for SPE was over 88%. The inter‐day and intra‐day precisions were less than 15%. A forensic sample has been found containing α‐PVP (67.3 ng mL−1) and OH‐α‐PVP (560.2 ng mL−1).

Conclusions

This study is the first to validate an auto‐SPE‐GC/MS method for the quantification and qualification of α‐PVP and OH‐α‐PVP in urine. We have successfully improved the derivatization efficiency and developed a sensitive and semi‐automatic approach. This approach is desirable for the detection of synthetic cathinone at trace levels in biological samples.
Enhancement of robust performance for fuzzy parametric uncertain time‐delay systems using differential evolution algorithm
Authors: D. Srinivasa Rao , M. Siva Kumar , M. Ramalinga Raju
Published: September 2019

This paper proposes a systematic methodology for the enhancement of robust stability and performance of a fuzzy parametric uncertain time‐delay system. A fuzzy parametric uncertain time‐delay system is an example for a linear time‐invariant uncertain time‐delay system with fuzzy coefficients. By using the nearest approximation, these fuzzy coefficients are approximated into crisp sets called intervals to get an interval system. The proposed approach develops the necessary and sufficient stability conditions of interval polynomials for determining the robust stability. Then, by using these developed stability conditions, a set of inequalities in terms of controller parameters are obtained from the closed‐loop characteristic polynomial of fuzzy parametric uncertain time‐delay system. Finally, these inequalities are solved to obtain robust controller with the help of a differential evolution algorithm for an unstable fuzzy parametric uncertain time‐delay system. Consequently, a lead‐lag compensator is constructed based on the frequency domain approach to improve the performance of the fuzzy parametric uncertain time‐delay system. The proposed method has the advantage of less computational complexity and easy to implement on a digital computer. The viability of the proposed methodology is illustrated through a numerical example for its successful implementation. The efficacy of the proposed methodology is also evaluated against the available approach in the literature and the simulation results are successfully implemented for robust stability and performance of fuzzy parametric uncertain time‐delay systems.
Biodecolorization of Basic Blue 41 using EM based Composts: Isotherm and Kinetics
Authors: Pushpa T Bhagavathi , Josephraj Jegan , Saravanan Praveen , Ravindran Gokulan
Published: September 2019

The main goal of this research was to prepare composts from neem (Azadirachta indica A. Juss) leaves and water hyacinth plant for the remediation of Basic Blue 41 (BB41) bearing wastewaters. The process of composting was performed using Effective Microorganisms (EM) for neem tree leaves (EMLC) and water hyacinth waste (EMWHC). Through preliminary experiments, for biosorption of BB41, 1.18 mm and 2 g/L were identified as the optimum particle size and compost dosage, respectively. The pH edge experiments revealed that pH 8 as optimum for BB41 biosorption and the isotherm experiments indicated that EMLC and EMWHC can biosorb 456.8 and 158.0 mg/g, respectively, according to the Langmuir model. The isotherm data were further examined using the Freundlich, Sips, Toth and Redlich‐Peterson models, with the later produced high R2 values and good prediction. Biosorption of BB41 onto EMLC and EMWHC was rapid with 90% BB41 removal was achieved within first 90 and 120 min of contact, respectively. The biosorbed BB41 was effectively desorbed from EMLC and EMWHC using HCl, HNO3, H2SO4, NaOH and CaCl2 with desorption efficiencies greater than 94%. Both EMLC and EMWHC were also regenerated and re‐used for BB41 biosorption in three consecutive sorption‐desorption cycles.
Fabrication of a Zn(II)‐Based 2D Pillar Bilayer Metal‐Organic Framework for Antimicrobial Activity
Authors: Dutta Basudeb , Pal Kunal , Jana Kuladip , Sinha Chittaranjan , Mir Mohammad Hedayetullah
Published: September 2019

A Zn(II)‐based two‐dimensional (2D) pillar bilayer metal‐organic framework (MOF) [{Zn(aip)(4,4′‐bpy)0.5(MeOH)}⋅(H2O)]n (1), (H2aip=5‐aminoisophthalic acid and 4,4′‐bpy=4, 4′‐bipyridine) has been designed and structurally characterized by single crystal X‐ray diffraction (SCXRD) technique. Compound 1 exhibits considerable antibacterial activity upon Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus), for which IC50 values have been obtained as 86.26±1.2 μg/ml and 95.96 ± 2.04 μg/ml respectively. Thus the fabricated MOF has the significant antibacterial property against pathogenic bacterial strains with significantly low IC50 values. Therefore, the compound 1 deserves to be a Bio‐MOF in the world of hybrid materials.
2,3‐Di(thiophen‐2‐yl)quinoxaline Amine Derivatives: Yellow‐Blue Fluorescent Materials for Applications in Organic Electronics
Authors: Mahadik Suraj S. , Chacko Sajeev , Kamble Rajesh M.
Published: September 2019

In this work, we have designed and synthesized new donor–acceptor (D–A) type, 2,3‐di(thiophen‐2‐yl)quinoxaline based amine derivatives (2–10). These compounds contain diaryl/heterocyclic amine segment and quinoxaline core as an electron donor and acceptor respectively. The synthesized molecules were fully characterized by standard spectroscopic techniques. Absorption spectra of all compounds showed intramolecular charge transfer (ICT) transition in the range of 390 to 461 nm. Dyes emit in yellow–blue region with emission maxima within 465 to 566 nm on excitation at their respective ICT absorption maxima. Moreover, compound 2, 3 and 9 exhibit aggregation induced emission in THF:water system due to the formation of nanoaggregates. Electrochemical properties of 2–10 were studied by cyclic voltammetry. The HOMO and LUMO energy level were found in the range of –4.90 to –5.70 eV and –3.10 to –3.36 eV respectively, with an electrochemical band gap (Eg) from 1.72 to 2.48 eV. Molecules showed good thermal stability. Theoretical studies were also carried out by using DFT and TD–DFT calculation. Based on photophysical and electrochemical properties these derivatives could be used as solid state emitter and ambipolar charge transport materials in optoelectronic devices.
Synthesis of Dendrimer‐Stabilized Au Nanoparticles and Their Application in the Generation of Hydroxyl Radicals
Authors: Li Ning , Liu Xiang
Published: September 2019

A facile approach for dendrimer stabilized gold nanoparticles and their application in the generation of hydroxyl radicals has been developed. Dendrimer stabilized AuNP‐1 exhibits more efficient catalytic activity than triehylene glycol stabilized AuNP‐2 in the generation of hydroxyl radicals, and further oxidized methylene blue (MB) to MB‐OH. In addition, the AuNP‐1 induced •OH generation is more notable at neutral pH than at the basic or acidic pH level.
Ultraclean Pure Shift NMR Spectroscopy with Adiabatic Composite Refocusing Pulses: Application to Metabolite Samples
Authors: Kakita Veera Mohana Rao , Rachineni Kavitha , Hosur Ramakrishna V
Published: September 2019

In Pure shift NMR (pure shift yielded by chirp pulse excitation (PSYCHE)) Sideband Averaging by Periodic PHase Incrementation of Residual J Evolution (SAPPHIRE) has proved to be a very useful technique for obtaining clean high‐resolution NMR spectra; SAPPHIRE suppresses homo‐decoupling sidebands resulting in high‐quality pure shift spectra. As a consequence, it enables circumventing dynamic range problems for complex mixtures having wide range of concentrations of constituents; in conventional PSYCHE spectra, the signals of low concentration constituents may get masked by the sidebands. However, the SAPPHIRE‐PSYCHE scheme is very sensitive to pulse/power calibrations and does not perform well for miscalibrations. In this background we propose here an improvement employing adiabatic composite refocusing pulses (ad‐SAPPHIRE‐PSYCHE) which has enabled us to obtain ultraclean pure shift NMR spectra with high resolution. The resulting improvements with the new scheme have been demonstrated on metabolite samples, honey and peppermint oil, and we believe that this will become routinely usable in commercial environments using autosamplers and with technically not‐so‐well trained researchers.
Transition Metal Complexes of (E)‐2((2‐hydroxybenzylidene) amino‐3‐mercaptopropanoic acid: XRD, Anticancer, Molecular modeling and Molecular Docking Studies
Authors: El‐ajaily Marei M. , Sarangi Ashish K. , Mohapatra Ranjan K. , Hassan Saffa S. , Eldaghare Rehab N. , Mohapatra Pranab K. , Raval Mukesh K. , Das Debadutta , Mahal Ahmed , Cipurkovic Amira , Al‐Noor Taghreed H.
Published: September 2019

The anticancer studies of a Schiff base; (E)‐2((2‐hydroxybenzylidene)amino‐3‐mercaptopropanoic acid (H2L) (obtained from 2‐hydroxybenzaldehyde and L‐cysteine) and its transition metal complexes have been reported. The evaluation of the growth inhibitory action was studied for the compounds against human colon carcinoma (HCT‐116), human hepatocellular liver carcinoma (HEPG‐2), normal melanocytes (HFB‐4) and human breast carcinoma (MCF‐7) cell lines. The obtained results revealed that the Schiff base and its chelates are active against human hepatocellular liver carcinoma (HEPG‐2) cell lines. The powder X‐ray diffraction analysis for the compounds was carried out through Phillips X′Pert High score software. The density functional theory computation for ligand and Co(II), Ni(II) and Cu(II) metal complexes were made to understand the mode of bonding by GAUSSIAN 03 rev. A.01 programme. The quantitative structure‐activity relationship investigation was performed by using HyperChem Professional 8.0.3 software to understand the biological potency of the ligands. Moreover, a docking analysis using iGEMDOCKv2.1 software was carried out against the kinase enzyme PDB ID:1fvv.
Aminotriazole Derivative as Anti‐Corrosion Material for Iraqi Kerosene Tanks: Electrochemical, Computational and the Surface Study
Authors: Yaqo Eva A. , Anaee Rana A. , Abdulmajeed Majid H. , Tomi Ivan H. R. , Kadhim Mustafa M.
Published: September 2019

A triazole inhibitor, 3,5‐di(4‐hydroxyphenyl)‐4‐amino‐1,2,4‐triazole (HAT), was investigated as an anticorrosion material for carbon steel in Iraqi kerosene tanks using Tafel polarization method at (303, 313, 323, and 333 K) and (100‐500 ppm) in kerosene medium. The results showed that the highest inhibition efficiency was obtained at 86.74% in 100 ppm and 333 K. The studied thermodynamic parameters show that the adsorption isotherm of the HAT inhibitor on the steel surface was identical to Langmuir isotherm. The polarization behavior revealed that this inhibitor acts as a mixed‐type inhibitor, the corrosion inhibition data have been measured and discussed in details to predict the performance of the inhibitor. The morphology of the inhibited surfaces was characterized using scanning electron microscopy/energy dispersive X‐ray spectroscopy (SEM/EDS) and an atomic force microscope (AFM). Furthermore, the Fourier transform infrared (FT‐IR) technique was used to show the interaction between HAT and the steel surface. Also, the antimicrobial activity of HAT inhibitor against some types of corrosive bacteria was examined. In addition, quantum chemical parameters were calculated by density functional theory to reveal the active centers of the inhibitor and clarify the correlation of molecular structure of the inhibitor and its efficiency of the inhibition.
Morphological Stability and Catalytic Performance of Supported and Unsupported Dendritic Gold Nanowire Catalysts
Authors: Imura Yoshiro , Kataoka Hiroki , Saito Haruna , Minakawa Muneharu , Morita‐Imura Clara , Kawai Takeshi
Published: September 2019

Shape‐controlled noble metal nanocrystals, such as nanoflowers and nanowires, are very attractive as nanocatalysts with excellent catalytic performance. Therefore, it is important to examine and improve the morphological stability and catalytic performance of shape‐controlled nanocrystals. This study showed that dendritic Au nanowires have a high catalytic activity compared with spherical Au nanoparticles, although the catalytic activity of the dendritic Au nanowires decreased after standing in aqueous solution for 16 days due to changes in their morphology. We prepared alumina‐supported dendritic Au nanowire powder by a seed growth method using supported Au nanoparticles as seed materials. The catalytic activity and morphology of the dried, supported dendritic Au nanowires did not change after standing for 16 days in air.
Promotional Effects of Transition Metal Modification over Al2O3 for CH3SH Catalytic Oxidation
Authors: Yi Honghong , Zhang Xiaodong , Tang Xiaolong , Zhao Shunzheng , Ma Chuanbo , Han Wen , Song Lingling
Published: September 2019

In this work, a series of metal‐modified alumina catalysts by ultrasonic‐assisted were prepared and the activity for the CH3SH catalytic oxidation were evaluated. The investigation shown that metal‐modified alumina catalysts could obviously promote the conversion of CH3SH. The activity by different metal‐modified alumina catalysts decreased in turn: 15%Cu‐Al2O3 > 15%Fe‐Al2O3 > 15%Mn‐Al2O3 > 15%Ce‐Al2O3 > 15%Co‐Al2O3 > Al2O3.The catalysts were characterized in comprehensive by X‐ray diffraction (XRD), adsorption‐desorption isotherms of N2, hydrogen temperature‐programmed reduction (H2‐TPR), carbon dioxide temperature‐programmed desorption (CO2‐TPD) and ammonia temperature‐programmed desorption (NH3‐TPD). We found that more surface oxygen species were formed on the metal‐modified alumina catalysts, and this feature can improve the catalytic activity of the catalysts. On the basis of the characterization results, the number of weak and middle basic sites were increased by the metal (Cu, Fe, Co, Ce and Mn) modified Al2O3, which were enhanced the high acid CH3SH adsorption. At the same time, the optimal loading amount of Cu was 15%. Based on the above analysis, a possible reaction mechanism of catalytic oxidation of CH3SH by Cu‐Al2O3 was proposed.
Application of simple and sensitive LC‐MS/MS approach for trace level quantification of potential genotoxic impurities in lamivudine salicylate formulations
Authors: Ganji Sreenivasula Rao , Gopireddy Venkata Subba Reddy
Published: September 2019

A new liquid chromatography with tandem mass spectrometry systematic procedure was envisaged for determination of l‐menthol glyoxylate and (1R,2S,5R)‐menthyl‐5(R,S)‐acetoxy‐(1,3)‐oxathiolane‐2(R)‐carboxylate, the potential genotoxic impurities in lamivudine salicylate drug formulation. The process describes an effective use of Hypersil BDS C8 (50 mm × 4.6 mm, 3.0 µm) column retained at 40°C and positive ion electrospray ionization in multiple reaction‐monitoring mode for quantification of two genotoxic impurities. The mobile phase comprises of 60:40 ratio of 5 mM ammonium formate and combination of acetonitrile/methanol (50:50 v/v) pumped at the flow rate of 0.5 mL/min with run time 10 min. This approach was validated for robustness, reproducibility, precision, linearity, accuracy, limit of detection and limit of quantification by following ICH guidelines. The established approach is able to assess two genotoxic impurities at 0.3 ppm (LOQ) against to 2.0 mg/mL of lamivudine. The linearity of this approach is found to 0.3–10.0 ppm, which meets the quantified accepted level (5.0 ppm) in LOQ‐200% range with the correlation coefficients of 0.999 and 0.997. Accuracy was arrived between 98.7–103.1%. The validated method could be highly useful as a good quality assessment tool for quantitation of genotoxic impurities in lamivudine formulation.
Evolution of the untouchables: Phylogenetics and classification of Cnidoscolus (Euphorbiaceae)
Authors: Maya‐Lastra Carlos A. , Steinmann Victor W.
Published: September 2019

Cnidoscolus (Euphorbiaceae) is an American genus of 99 species, distributed from the United States to Argentina and the Antilles. The genus is noteworthy due to the presence of stinging hairs, a feature otherwise very rare in Euphorbiaceae. Here we constructed a phylogenetic hypothesis for relationships in Cnidoscolus using both nuclear (ITS) and chloroplast (psbA‐trnH, trnL‐trnF) markers. We included 44 species and 7 additional subspecies (of 4 species), which represent a broad geographic and taxonomic sample of the genus. The nuclear and chloroplast datasets were analyzed separately. Various incongruencies were detected between the nuclear and plastid phylogenies, and in general, the ITS reconstruction is better resolved and has more clades that are highly supported. In both analyses, Cnidoscolus is confirmed to be monophyletic and composed of two major lineages: a northern clade that comprises species distributed primarily in North and Central America and a southern clade composed of mostly South American species. We conducted ancestral reconstructions of three characters important in the classification of the genus: (1) primary leaf venation, (2) number of staminal whorls in the androecium, and (3) petiolar glands. Based on morphology and the molecular phylogeny, we propose an updated infrageneric classification that recognizes eight sections and two subsections, and we place 98 of the accepted species into this new classification, with one species' position uncertain.
Green supply chain management of automotive manufacturing industry considering multiperspective indices
Authors: Huang Shufang , Zhang Honghao
Published: September 2019

Considering strategic targets and fierce competition, high‐efficiency supply chain management (SCM) and selection strategy has a significant impact on the automotive manufacturing industry to improve its competitive advantage and economic benefit. However, the selection process of supply chain is often inevitably affected by multiperspective factors, e.g., societal and economic properties. Thus, multicriteria decision‐making as an effective method is needed. This article establishes a systematic hierarchical structure of multiperspective indices for SCM of automotive manufacturing industry including economic, environmental, societal, and technical properties. An integrated method that combines gray relational analysis and analytic hierarchy process is applied to select the optimal pattern of supply chain. An empirical case about three types of supply chain for automotive manufacturing industry is applied to test the effectiveness of multicriteria decision‐making method and the hierarchical structure. In addition, a comparison with other methods and a sensitivity analysis are conducted to validate the reliability of this research. The results show this method can be effectively used in the decision‐making process of SCM in the automotive manufacturing industry. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Fluorescence characterization of organic matter and fouling: Case study in a full‐scale reverse osmosis membrane treatment plant
Authors: Bergman Lauren E. , Jones Kimberly L. , VanBriesen Jeanne M.
Published: September 2019

Membranes used for water treatment are subject to organic fouling, caused by organic matter in source water. Characterizing organic matter has the potential to improve fouling prediction since the development of an organic fouling layer on the membrane is dependent on the specific characteristics of the organic matter. A field study was performed at a full‐scale reverse osmosis water treatment plant that treats secondary wastewater effluent for industrial reuse at a power plant. Samples were collected at various points within the treatment process and were analyzed for turbidity, total organic carbon (TOC), conductivity, and fluorescence Excitation Emission Matrices (EEM). Parallel factor analysis (PARAFAC) was used to generate representative fluorescence measurements of the organic matter. Results indicate that TOC and fluorescence measurements were effective in differentiating between two observed fouling periods at multiple locations within the treatment plant. However, none of the water quality measurements were effective in tracking treatability of organic matter throughout pretreatment. The results of this case study provide important information about the relationship between fluorescence NOM signals and membrane fouling that can be used in future online detection systems.

Practitioner points

TOC and fluorescence measurements were effective in differentiating between the high fouling and low fouling periods.

Water quality measurements were not effective in tracking changes in organic matter throughout pretreatment.

Implementation of online fluorescence monitoring of fouling potential could be used for real‐time process control.
New Homoleptic Rare‐Earth Metal Complexes Comprising the Unsymmetrically Substituted Amidinate Ligand [MeC(NEt)(NtBu)]–
Authors: Harmgarth Nicole , Liebing Phil , Hilfert Liane , Lorenz Volker , Engelhardt Felix , Busse Sabine , Edelmann Frank T.
Published: September 2019

New homoleptic complexes of selected rare‐earth elements containing the unsymmetrically substituted amidinate ligand [MeC(NEt)(NtBu)]– [= (L)–] were synthesized and fully characterized. Treatment of in situ‐prepared Li(L) (1) with anhydrous lanthanide(III) chlorides, LnCl3 (Ln = Sc, La, Ce, Ho), afforded three different types of amidinate complexes depending on the ionic radius of the central metal atom. The large La3+ formed the octa‐coordinate DME solvate La(L)3(DME) (2). Using Ce3+, the octa‐coordinate “ate” complex Li(THF)[Ce(L)4] (3) was formed. Depending on the crystallization conditions, compound 3 could be crystallized in two modifications differing in the coordination environment around Li. In the case of the smaller Sc3+ and Ho3+ ions, six‐coordinate homoleptic Sc(L)3 (4) and Ho(L)3 (5) were isolated. The title compounds were fully characterized by spectroscopic and analytical methods as well as single‐crystal X‐ray diffraction. With Ln = La and Ce, several by‐products incorporating lithium, chlorine and/or oxygen were also isolated and structurally characterized.
Governing by Evaluation: Setting the Scene
Authors: Segerholm Christina , Rönnberg Linda , Lindgren Joakim , Hult Agneta
Published: September 2019

This introductory chapter starts by outlining the aim of the book: to analyse and discuss the interplay between governing, evaluation and knowledge with an empirical focus on Swedish higher education. It then goes on to locate this aim and the intended contribution within the wider research context and in previous studies. The chapter also highlights some important national traits of the Swedish case and Swedish higher education policy development, before presenting the overall conceptual frame employed in the book and the project it builds on. Finally, an outline of the forthcoming chapters is provided.
Europe in Sweden
Authors: Segerholm Christina , Hult Agneta
Published: September 2019

The increased importance given to European policy concerning evaluation and quality assurance in higher education in the Swedish national policy context is explored in this chapter. The description rests on interviews with what here is labelled policy brokers and on the material from the European Association for Quality Assurance in Higher Education (ENQA), as well as government bills, parliamentary minutes, national agency reports, and university teachers’ union journals. The results show that ENQA membership requirements played a significant role in the Swedish policy debate on the design of the 2016 national evaluation and quality assurance system. Dissemination channels between Europe and Sweden are populated by individuals with similar functions and positions, e.g. that ministers often meet ministers. Within Sweden, European policy is disseminated by and through individuals who move between different positions within the ministry of education, national agencies, and higher education institutions. Different organisations also communicate with each other within Sweden, ensuring European policies reaching into higher education institutions. Such European governing attempts are carried out in activities like networks, conferences, papers, guidelines, and by using different forms of knowledge, both inscribed, embodied, and enacted.
Quality Evaluations and the Media
Authors: Rönnberg Linda
Published: September 2019

The aim of this chapter is to analyse how results from the 2011 to 2014 national evaluation and quality assurance (EQA) system were communicated to and via the media. First, the analysis focuses on the attempted media framing, as manifested in press releases of national evaluations from the responsible national agencies. Second, the higher education institution-media interactions, in the context of two national quality evaluations from two subject areas (education and specialist nursing), are analysed from the perspective of how four higher education institutions’ attempted framings were (re)presented by the media. The chapter concludes with a discussion pointing to interdependence and possible reinforcement of the media-quality assurance relationship and points to some possible implications for education governing. The chapter also discusses the silences and articulations that could not be detected in the studied data, as situated within the context of reputation management and media display in the contemporary “evaluation society”.
Relaunching National Evaluation and Quality Assurance: Expectations and Preparations
Authors: Segerholm Christina
Published: September 2019

In this chapter, we describe and analyse the design of the evaluation and quality assurance system decided by the Swedish Parliament in 2016. Particular stress is put on how one part of this system – the institutional reviews of the higher education institutions’ internal quality assurance processes – was set up by the Swedish Higher Education Authority (SHEA). The aim was to explore governing of higher education in the signals expressed through the design and requirements decided by the SHEA. The SHEA public reports, guidelines, criteria, and templates for the higher education institutions and evaluators, and interviews with SHEA staff were used for this purpose. The analysis shows that the Standards and Guidelines for Quality Assurance in the European Higher Education Area were important influences in the design work. It also shows that the design supports the governing by objectives and outcomes logic and a notion of “quality” in higher education as equivalent to work with internal quality assurance systems at higher education institutions. We argue that this design forms the basis for constitutive effects like an instrumental notion of higher education.
Improving Deep Generative Models with Randomized SMILES
Authors: Arús-Pous Josep , Johansson Simon , Prykhodko Oleksii , Bjerrum Esben Jannik , Tyrchan Christian , Reymond Jean-Louis , Chen Hongming , Engkvist Ola
Published: September 2019

A Recurrent Neural Network (RNN) trained with a set of molecules represented as SMILES strings can generate millions of different valid and meaningful chemical structures. In most of the reported architectures the models have been trained using a canonical (unique for each molecule) representation of SMILES. Instead, this research shows that when using randomized SMILES as a data amplification technique, a model can generate more molecules and those are going to accurately represent the training set properties. To show that, an extensive benchmark study has been conducted using research from a recently published article which shows that models trained with molecules from the GDB-13 database (975 million molecules) achieve better overall chemical space coverage when the posterior probability distribution is as uniform as possible. Specifically, we created models that generate nearly all the GDB-13 chemical space using only 1 million molecules as training set. Lastly, models were also trained with smaller training set sizes and show substantial improvement when using randomized SMILES compared to canonical.
Characterization of Quantum Derived Electronic Properties of Molecules: A Computational Intelligence Approach
Authors: Valdés Julio J. , Tchagang Alain B.
Published: September 2019

The availability of BIG molecular databases derived from quantum mechanics computations represent an opportunity for computational intelligence practitioners to develop new tools with same accuracy but much lower computational complexity compared to the costly Schrödinger equation. In this study, unsupervised and supervised learning methods are applied to investigate the internal structure of the data and to learn the mapping between the atomic coordinates of molecules and their properties. Low dimensional spaces revealed a well defined clustering structure as defined by the measures used for comparing molecules based their atom distributions and chemical composition. Supervised learning techniques were applied on the original predictor variables, as well as on a subset of selected variables found using evolutionary algorithms guided by residual variance analysis (Gamma Test). Black and white box modeling approaches were used (random forests, neural networks and model trees and adaptive regression respectively). All of them delivered good performance, error and correlation-wise, with neural networks producing the best results. In particular white box techniques obtained explicit functional dependencies, some of them achieving considerably reduction of the feature set and expressed as simple models.
Massive dual gravity in N spacetime dimensions
Authors: Alshal H. , Curtright T. L.
Published: September 2019

Abstract

We describe a field theory for “massive dual gravity” in N spacetime dimensions. We obtain a Lagrangian that gives the lowest order coupling of the field to the N -dimensional curl of its own energy-momentum tensor. We then briefly discuss classical solutions. Finally, we show the theory is the exact dual of the Ogievetsky-Polubarinov model generalized to any N.