bluuebunny/crossref_metadata_2025 huggingface dataset:
Deriving fatigue equivalent power spectral density spectra for the vibration testing of engine components
Authors: Decker M. , Kinscherf S. , Bauer N. , David P. , Serifsoy M.
Published: April 2018

Vibration testing for the proof of structural durabilty often is performed on the basis of power spectral density spectra. At present, there are large uncertainties concerning the derivation of appropriate spectra for fatigue testing. Especially for non‐periodic, non‐stationary excitations, the commonly used procedures based on the fast Fourier transformation usually yield inaccurate results. Additional problems arise if the analyzed signals do not follow a Gaussian amplitude distribution, which is a prerequisite for describing a time history as a random process with a power spectral density. To overcome these problems, the FatiResponse method for deriving fatigue equivalent power spectral density spectra was developed and is presented here. It takes into account both the possible dynamic and fatigue responses of virtual structures. Shock response and fatigue response spectra are used to describe the impact of an arbitrary signal on virtual structures having virtual critically loaded locations. From these, test spectra are derived that yield the same shock and fatigue responses as the measured vibrations. The method is explained and demonstrated using vibration data of a passenger car engine consisting of harmonic and stochastic excitations. The procedure is validated using a dummy structure and compared to commonly used procedures.
A Case of McLeod Syndrome with A Novel XK Missense Mutation
Authors: Komiya Hiroyasu , Takasu Mutsuki , Hashiguchi Shunta , Uematsu Eri , Fukai Ryoko , Tanaka Kenichi , Tada Mikiko , Joki Hideto , Takahashi Tatsuya , Koyano Shigeru , Doi Hiroshi , Takeuchi Hideyuki , Tanaka Fumiaki
Published: April 2018

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Das Fusionskarussell dreht sich weiter
Authors: Kofler Florian , Schneider Bernd
Published: April 2018

Ob die Gespräche zwischen Akzonobel und Axalta wieder beginnen, ob Linde und Praxair desinvestieren oder ob es um den gescheiterten Zusammenschluss von Clariant und Huntsman geht, – Transaktionen im Chemiemarkt bleiben spannend, und Kaufinteressen aus China nehmen weiter zu.
Bleistift, Sägespäne und Harz
Authors: Büttner Andrea , Schreiner Linda
Published: April 2018

Ob beim Spaziergang im Wald oder beim Kauf neuer Möbel: Der Geruch von Holz begegnet Menschen täglich. Er gilt als typisch und generell als angenehm. Welche Substanzen den natürlichen Holzgeruch verursachen, ist nicht leicht herauszufinden, da Holz so viele geruchsaktive wie geruchlose Stoffe enthält.
13. Iminiumsalztagung in Goslar
Authors: Jakobi Dörthe
Published: April 2018

Mitte September 2017 fand die 13. Iminiumsalztagung (Imsat‐13) im Tagungshotel Achterrmann in Goslar statt. Bei der viertägigen Veranstaltung hoben 60 Teilnehmer aus Hochschule und Industrie in 29 Vorträgen und 18 Postern hervor, welche Bedeutung Iminiumsalze für die organische Synthese, Materialforschung, Katalyse sowie Biochemie und Medizin haben.
Von Larven und Enten
Authors: Opatz Till
Published: April 2018

Lösen gefräßige Wachsmottenlarven unser globales Müllproblem? Oder sind die Daten löchrig?
Preprints in der Chemie
Authors: Böhme Uwe , Rau Cornelia , Tesch Silke
Published: April 2018

Physiker und Mathematiker publizieren ihre Manuskripte häufig als Preprint, bevor diese in wissenschaftlichen Zeitschriften erscheinen. Für Chemiker ist diese Vorgehensweise eher ungewöhnlich; doch seit letztem Jahr gibt es zwei Preprintserver für chemische Literatur.
BASF 2017: Mehr Bauchemie, weniger Leder
Authors: Bulmahn Maren
Published: April 2018

BASF ist mit der Konjunktur gewachsen. An‐ und Verkäufe sollen Weichen für die Zukunft stellen.
Test: Welcher Typ Tagungsteilnehmer sind Sie?
Authors: Leusmann Eliza
Published: April 2018

Beantworten Sie diese acht Fragen und klären Sie ein für allemal, ob auch für Sie gilt: „Wir sind alle individuell!“ – „Ich nicht!“
Motorsport für Chemiker
Authors: Schulze Markus
Published: April 2018

Pneumatik, Batterien und ausgefallene Mechanik – beim Chemcar‐Rennen 2017 versuchten neun Teams, ihre reaktionsbetriebenen Modellautos genau auf die Ziellinie zu setzen.
Regionales Fonds‐Stipendiatentreffen in Berlin
Authors: Fuchs Julien , Richter Sven
Published: April 2018

Ende November 2017 trafen sich die regionalen Stipendiaten des Fonds der Chemischen Industrie (FCI) an der Technischen Universität Berlin. Organisiert hatten die Veranstaltung Martin Oestreich und sein Arbeitskreis. 14 der 18 Nachwuchswissenschaftler, die durch ein Liebig‐, Kekulé‐ oder Doktorandenstipendium des FCI gefördert werden, gaben in ihren Vorträgen Einblicke in Synthesechemie, Materialchemie und Spektroskopie.
Sensitivity of Exploitation Estimates to Tag Loss Estimation Methods in Idaho Sport Fisheries
Authors: McCormick Joshua L. , Meyer Kevin A.
Published: April 2018

The objective of this study was to evaluate the sensitivity of exploitation estimates to tag loss estimation methods for six species of sport fish in Idaho. A discrete tag loss model and four instantaneous tag loss models were evaluated using both empirical data and a simulation approach. Empirical exploitation estimates were similar for most species when using the discrete model and all four forms of instantaneous tag loss model. Maximum differences among estimators were less than 2% for five species; however, exploitation estimates differed by as much as 17% for Walleyes Sander vitreus depending on the choice of the tag loss model. The discrete estimator of tag loss, which was computationally much easier to implement than the instantaneous models, resulted in exploitation estimates that were similar to or more accurate than the instantaneous models in the simulation. Exploitation in the simulation was underestimated by more than 1% at a minimum and by greater than 14% at maximum when tag loss was not accounted for. These results suggest that regardless of the choice of tag loss estimator, an attempt should be made to account for tag loss even for species that are expected to have a relatively short average time at liberty and relatively low tag loss over the duration of a study.
Influence of Landing Net Mesh Type on Handling Time and Tissue Damage of Angled Brook Trout
Authors: Lizée Teah W. , Lennox Robert J. , Ward Taylor D. , Brownscombe Jacob W. , Chapman Jacqueline M. , Danylchuk Andy J. , Nowell Liane B. , Cooke Steven J.
Published: April 2018

Recreational catch-and-release angling is a popular activity. Anglers often use landing nets to shorten fight times, reduce stress on the line and rod, restrict fish movement to facilitate dehooking of the fish, and protect fish from undue harm caused by handling or dropping. Landing nets are constructed using a variety of netting materials that could have varied consequences when coming in contact with fish. Salmonids are among the most targeted fishes in the world, but little is known about how landing nets contribute to postcapture tissue damage. We compared handling time and instances of fin fraying, scale loss, and mucus loss sustained by Brook Trout Salvelinus fontinalis landed by four net mesh types (i.e., large, knotless rubber mesh; knotless nylon micromesh; large, knotted polypropylene mesh; and small, knotless rubber-coated nylon mesh) or by using bare wet hands in a recreational fishery. The knotted polypropylene mesh resulted in the greatest extent of fin fraying, whereas the bare wet hands method, knotless nylon micromesh, and rubber-coated nylon mesh resulted in the most scale loss. Interestingly, extended handling times were noted for several mesh types (i.e., knotless nylon micromesh and rubber-coated nylon mesh) relative to bare wet hands because of hook entanglement in the netting material. However, using bare wet hands to land Brook Trout resulted in higher odds of the fish being dropped into the bottom of the boat. We concluded that the large, knotless rubber mesh was the least damaging to Brook Trout. Changes to angler practices, such as using appropriate landing tools, can benefit fish welfare in catch-and-release fisheries.
Numbers add up! Metrics that matter for increasing your recruitment success
Authors: Talarico Donna
Published: April 2018

Numbers can tell a story. That's why data analytics is such a rapidly growing career path — maybe your school even offers a program! Your marketing efforts likely rely heavily on your website. Even print and email campaigns likely drive a prospective student to an online action, such as requesting information or applying. But how well are you tracking those actions? How are you monitoring the overall performance of your website?
Free‐Living Responses in Energy Balance to Short‐Term Overfeeding in Adults Differing in Propensity for Obesity
Authors: Creasy Seth A. , Rynders Corey A. , Bergouignan Audrey , Kealey Elizabeth H. , Bessesen Daniel H.
Published: April 2018

Objective

Free‐living adaptive responses to short‐term overfeeding (OF) were explored as predictors of longitudinal weight change in adults classified as having obesity resistance (OR) or obesity proneness (OP) based on self‐identification and personal/family weight history.

Methods

Adults identified as OP (n = 21; BMI: 23.8 ± 2.5 kg/m2) and OR (n = 20; BMI: 20.2 ± 2.1 kg/m2) completed 3 days of eucaloric feeding (EU; 100% of energy needs) and 3 days of OF (140% of energy needs). Following each condition, adaptive responses in physical activity (PA), total daily energy expenditure, ad libitum energy intake, and energy balance were objectively measured for 3 days in a free‐living environment. Body mass and composition were measured annually by using dual‐energy x‐ray absorptiometry for 5 years. Adaptive responses to OF were correlated with 5‐year changes in body mass and composition.

Results

Increases in sedentary time correlated with longitudinally measured changes in fat mass (r = 0.34, P = 0.04) in the cohort taken as a whole. Those with OP reduced their levels of PA following OF, whereas those with OR maintained or increased their PA. No other variables were found to correlate with weight gain.

Conclusions

Failure to decrease sedentary behavior following short‐term OF is one mechanism that may be contributing to fat mass gain.
The Obesity Paradox: A Misleading Term That Should Be Abandoned
Authors: Flegal Katherine M. , Ioannidis John P.A.
Published: April 2018

The term “obesity paradox” is a figure of speech, not a scientific term. The term has no precise definition and has been used to describe numerous observations that have little in common other than the finding of an association of obesity with a favorable outcome. The terminology has led to misunderstandings among researchers and the public alike. It's time for authors and editors to abandon the use of this term. Simply labeling counterintuitive findings as the “obesity paradox” adds no value. Unexpected findings should not be viewed negatively; such findings can lead to new knowledge, better treatments, and scientific advances.
Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non‐Polar Solvents by using Conductometry
Authors: Iseda Kazuya , Kokado Kenta , Sada Kazuki
Published: April 2018

In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride (TBACl) ion‐pair salt to the free ions through complexation with meso‐octamethylcalix[4]pyrrole (CP), which is a well‐known receptor for chloride anions. In the presence of CP, the conductivity of TBACl increases in various non‐polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non‐polar solvents. In other words, CP recognizes chloride as an ion‐paired salt as well as a free anion in non‐polar solvents. Additionally, the TBA(CP–Cl) complex exhibited a considerably lower ion‐pairing constant (Kip) than TBACl in non‐polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli‐responsive soft materials in organic solvents using coulombic forces.
What Levels of Racial Diversity Can Be Achieved with Socioeconomic‐Based Affirmative Action? Evidence from a Simulation Model
Authors: Reardon Sean F. , Baker Rachel , Kasman Matt , Klasik Daniel , Townsend Joseph B.
Published: April 2018

This paper investigates to what extent socioeconomic status (SES)‐based affirmative action in college admissions can produce racial diversity. Using simulation models, we investigate the racial and socioeconomic distribution of students among colleges under the use of race‐ or SES‐based affirmative action policies, or targeted, race‐based recruitment policies. We find, first, that neither SES‐based affirmative action nor race‐targeted recruiting on their own produce levels of racial diversity achieved by race‐based affirmative action. However, the two policies in combination, although likely expensive, may yield racial diversity comparable to race‐based affirmative action. Second, the use of affirmative action policies by some colleges reduces the diversity of similar‐quality colleges without such policies. Third, the combination of SES‐based affirmative action and race recruiting results in fewer academically‐overmatched Black and Hispanic students than under race‐based affirmative action, but the schools that use both also see a reduction in the academic achievement of enrolled students.
A condensed approach to model the constitutive behavior of multiphase ferroelectric and multiferroic materials
Authors: Lange Stephan , Ricoeur Andreas
Published: April 2018

Ferroelectric as well as ferromagnetic materials are widely used in smart structures and devices as actuators, sensors etc. Most of the developed models, describing the nonlinear behavior, are implemented within the framework of the Finite Element Method. Most investigations, however, are restricted to simple boundary value problems under uniaxial or biaxial loading and their goal is the calculation of hysteresis loops or to determine e.g. electromechanical coupling coefficients. Regarding these circumstances, the so‐called condensed method (CM) is introduced to investigate the macroscopic polycrystalline ferroelectric material behavior at a macroscopic material point without any kind of discretization scheme. In the presented paper, the CM is extended towards multiphase ferroelectric material behavior. Moreover, first numerical results of a multiphase ferroelectric material at the morphotropic phase boundary are presented. (© 2017 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photovoltaics literature survey (no. 142)
Authors: Hameiri Ziv
Published: April 2018

In order to help readers stay up‐to‐date in the field, each issue of Progress in Photovoltaics will contain a list of recently published journal articles that are most relevant to its aims and scope. This list is drawn from an extremely wide range of journals, including IEEE Journal of Photovoltaics, Solar Energy Materials and Solar Cells, Renewable Energy, Renewable and Sustainable Energy Reviews, Journal of Applied Physics, and Applied Physics Letters. To assist readers, the list is separated into broad categories, but please note that these classifications are by no means strict. Also note that inclusion in the list is not an endorsement of a paper's quality. If you have any suggestions, please e‐mail Ziv Hameiri at ziv.hameiri@unsw.edu.au.
Cost‐effectiveness of the BRECONDA decision aid for women with breast cancer: Results from a randomized controlled trial
Authors: Parkinson Bonny , Sherman Kerry A. , Brown Paul , Shaw Laura‐Kate E. , Boyages John , Cameron Linda D. , Elder Elisabeth , Lam Thomas
Published: April 2018

Objective

To report on the cost‐effectiveness of BRECONDA (Breast RECONstruction Decision Aid), a web‐based decision aid to facilitate decisions regarding breast reconstruction surgery, with usual care for women with breast cancer.

Methods

The economic evaluation was conducted alongside a randomized controlled trial. Women diagnosed with breast cancer or ductal carcinoma in situ and eligible for breast reconstruction following mastectomy were randomized to access BRECONDA for 6 months + usual care (n = 106) or usual care (n = 116) and were assessed at baseline preintervention, and then 1‐month and 6‐months post‐randomization. Decisional conflict, satisfaction with information, decisional regret, and utilities were assessed by using maximum‐likelihood linear mixed effects models. Costs included the fixed costs of BRECONDA, health care provider time, and health care resource use. Nonparametric bootstrapping was used to estimate incremental cost‐effectiveness ratios.

Results

BRECONDA resulted in significantly less decisional conflict and greater satisfaction with information over time. Quality‐adjusted life years did not differ between participants who received the decision aid compared with usual care. The cost of BRECONDA was estimated to be small (AUD$10) relative to other health care interventions and resulted in decreased health care costs overall (AUD$764). Based on the point estimates, the decision aid was more effective and less costly (dominant) for all measures of effectiveness. It was estimated that the decision aid has an 87% probability of being cost‐effective at $60 000 per quality‐adjusted life year gained.

Conclusions

The BRECONDA web‐based intervention designed to facilitate decisions regarding breast reconstruction surgery is likely to be cost‐effective compared with usual care for women with breast cancer.
Light‐Induced Reversible Optical Properties of Hydrogenated Amorphous Silicon: A Promising Optically Programmable Photonic Material
Authors: Mohammed Mahir Asif , Melskens Jimmy , Stabile Ripalta , Kessels Wilhelmus M. M. , Raz Oded
Published: April 2018

Reversible optical properties (refractive index, n, and extinction coefficient, k) upon light soaking and annealing are predicted to originate from the metastable properties of hydrogenated amorphous silicon (a‐Si:H). Optically programmable photonic devices can be demonstrated when a‐Si:H is established as a potential programmable photonic material. Therefore, the effects of prolonged high intensity light soaking and annealing are investigated. A set of a‐Si:H films is deposited by inductively coupled plasma‐enhanced chemical vapor deposition (ICP‐PECVD) near the amorphous/nano‐crystalline phase transition that have significantly different hydrogen content and microstructures. Spectroscopic ellipsometry shows that the imaginary part of the pseudo dielectric function <ϵ2> values near the peak clearly decreases after light soaking and this decrease can be reversed after annealing. No loss of Si‐bonded hydrogen is observed after repeated cycles of light soaking and annealing and an inverse correlation between this reversibility and the hydrogen content is found. A change in the bulk optical properties is likely the main contributor to the observed metastable effect, suggesting a reversible refractive index change. Repeated cycles of reversible <ϵ2> behavior are demonstrated which together with the magnitude of reversibility (as high as 3.7% at 3.6 eV) illustrates the potential of a‐Si:H for future programmable photonic devices.
Enhanced Lifetime and Efficiency of Red Quantum Dot Light‐Emitting Diodes with Y‐Doped ZnO Sol–Gel Electron‐Transport Layers by Reducing Excess Electron Injection
Authors: Lee Yeonkyung , Jeong Byeong Guk , Roh Heebum , Roh Jeongkyun , Han Jongseok , Lee Doh C. , Bae Wan Ki , Kim Jae‐Yup , Lee Changhee
Published: April 2018

Charge balance between electrons and holes, which are injected into the quantum dot (QD) emission layer (EML), is critical for realizing stable and efficient QD light‐emitting diodes (QLEDs). ZnO has been widely used as an electron‐transport layer (ETL) because of its superior performance compared to other metal oxides. However, nearly barrier‐free electron injection into the QD EML leads to spontaneous charge transfer and excess electron injection, resulting in reduced device performance. Here, to adjust electron–hole balance and thereby improve the lifetime and efficiency of QLEDs, we introduce an yttrium (Y)‐doped ZnO (YZO) ETL into QLEDs. The sol–gel processed YZO film, with a mobility that could be simply tuned by varying the Y concentration, provides enhanced charge‐transport balance by suppressing excess electron flow to the QD EML. Furthermore, YZO helps suppress QD charging and smooth the surface morphology. Applying the YZO ETL into the inverted‐structure QLED enables us to achieve color‐saturated red emission, an improved external quantum efficiency of up to 8.6%, and an eight times longer lifetime compared to the device with undoped ZnO. This result provides a simple method for enhancing the performance of QLEDs by easily controlling metal doping concentration in the sol–gel processed ZnO ETL.
Perfect matchings and Hamiltonian cycles in the preferential attachment model
Authors: Frieze Alan , Pérez‐Giménez Xavier , Prałat Paweł , Reiniger Benjamin
Published: April 2018

In this paper, we study the existence of perfect matchings and Hamiltonian cycles in the preferential attachment model. In this model, vertices are added to the graph one by one, and each time a new vertex is created it establishes a connection with m random vertices selected with probabilities proportional to their current degrees. (Constant m is the only parameter of the model.) We prove that if , then asymptotically almost surely there exists a perfect matching. Moreover, we show that there exists a Hamiltonian cycle asymptotically almost surely, provided that . One difficulty in the analysis comes from the fact that vertices establish connections only with vertices that are “older” (ie, are created earlier in the process). However, the main obstacle arises from the fact that edges in the preferential attachment model are not generated independently. In view of that, we also consider a simpler setting—sometimes called uniform attachment—in which vertices are added one by one and each vertex connects to m older vertices selected uniformly at random and independently of all other choices. We first investigate the existence of perfect matchings and Hamiltonian cycles in the uniform attachment model, and then extend the argument to the preferential attachment version.
Monochromatic paths in random tournaments
Authors: Bucić Matija , Letzter Shoham , Sudakov Benny
Published: April 2018

We prove that, with high probability, any 2‐edge‐coloring of a random tournament on n vertices contains a monochromatic path of length . This resolves a conjecture of Ben‐Eliezer, Krivelevich, and Sudakov and implies a nearly tight upper bound on the oriented size Ramsey number of a directed path.
Kidney-Derived c-Kit+ Cells Possess Regenerative Potential
Authors: Gomes Samirah A. , Hare Joshua M. , Rangel Erika B.
Published: April 2018

Kidney-derived c-Kit+ cells exhibit progenitor/stem cell properties in vitro (self-renewal capacity, clonogenicity, and multipotentiality). These cells can regenerate epithelial tubular cells following ischemia-reperfusion injury and accelerate foot processes effacement reversal in a model of acute proteinuria in rats. Several mechanisms are involved in kidney regeneration by kidney-derived c-Kit+ cells, including cell engraftment and differentiation into renal-like structures, such as tubules, vessels, and podocytes. Moreover, paracrine mechanisms could also account for kidney regeneration, either by stimulating proliferation of surviving cells or modulating autophagy and podocyte cytoskeleton rearrangement through mTOR-Raptor and -Rictor signaling, which ultimately lead to morphological and functional improvement. To gain insights into the functional properties of c-Kit+ cells during kidney development, homeostasis, and disease, studies on lineage tracing using transgenic mice will unveil their fate. The results obtained from these studies will set the basis for establishing further investigation on the therapeutic potential of c-Kit+ cells for treatment of kidney disease in preclinical and clinical studies.
Exploration of Conformations, Analysis of Protein and Biological Significance of Histidine Dimers
Authors: Uppula Purushotham
Published: April 2018

The exhaustive conformational search of histidine dimers (HisD) carried out using density functional theory (DFT). A large number of non‐covalent interactions and hydrogen bonding interactions stabilized various forms of HisDs that resulted 143 unique conformers. The HisDs which have hydrogen bonding interactions are more stable than other HisDs with aromatic‐aromatic interactions. In addition, search of HisDs in proteins that deposited in the protein data bank shows a significant increase of HisDs appear from 4 Å to 6 Å centroid‐centroid distance. Further, the angle analysis between two π planes resulted that the number of dimers is more abundant at 31°‐ 60° angles which shows that HisD prefers tilted and parallel displaced orientations in the proteins. The above observations from protein data bank (PDB) analysis show good agreement with DFT calculations of the histidine dimers. In conclusion, the subtle balance between non‐covalent interactions determine the conformational preferences of histidine dimers.
Complexation of Eu(III) in a Completely Incinerable Ionic Liquid System: A Luminescence Spectroscopy Approach
Authors: Rout Alok , Kumar Satendra , Venkatesan Konda Athmaram , Maji Siuli. , Antony Malpan Pailo
Published: April 2018

Luminescence study of europium(III) ion has been carried out in a completely incenerable (CHON based) ionic liquid system. The ionic liquid used in the study was trioctylmethylammonium nitrate ([N1888][NO3] while the extractant used was N,N‐dioctyl‐2‐hydroxyacetamide (DOHyA). The complexation of europium(III) in such type of ionic liquid system and its elaboration by luminescence study is highlighted for the first time in this paper. The luminescence behaviour of europium(III) was ascertained as a function of various parameters, such as aqueous phase acidity, extractant concentration, initial metal ion concentration, types of ionic liquid diluents etc. The luminescence intensity of Eu(III) was remarkably high in the ionic liquid medium at all aqueous phase acidity (0.1 M to 5 M HNO3) as compared to that of in aqueous phase. The luminescence lifetime of Eu(III) in this complex is in the range of 360 μs – 550 μs which is quite higher than that of aqueous phase (107 μs ‐ 130 μs), suggesting the luminescence enhancement is a result of reduction in non‐radiative decay channels in ionic liquid medium. The emission peak of Eu(III) in DOHyA was compared with that of DOMeA (N,N‐dioctyl‐2‐methoxyacetamide) in ionic liquid medium in order to highlight the presence of –OH group in DOHyA. The luminescence spectra of Eu(III) was also investigated by changing the type of aqueous phase acidity from nitrate ion to chloride ion and the results are detailed in the paper.
Supramolecular Assemblies of cis,cis,cis‐1,2,4,5‐Cyclohexanetetracarboxylic Acid with Various Aza‐Donors
Authors: Raut Manish D. , Giri Lopamudra , Pedireddi Venkateswara Rao
Published: April 2018

A hydrated form of cis,cis,cis‐1,2,4,5‐cyclohexanetetracarboxylic acid and its molecular complexes with various aza‐donors, trans‐1,2‐bis(4‐pyridyl)ethene (a), trans‐1,2‐bis(2‐pyridyl)ethene (b), 2,2′‐bipyridine (c), trans‐1,2‐bis(4‐pyridyl)ethane (d), 1,10‐phenanthroline (e), 4,7‐phenanthroline (f) and phenazine (g) were prepared by slow‐evaporation of the corresponding solutions at ambient conditions. The structural analysis of the complexes reveals the elegant arrangement of the molecules in the crystal lattices in terms of the hydrogen bonds formed between the co‐crystallized ligands. Amongst, co‐crystals with 1,10‐phenanthroline yielded a host‐guest assembly, while the rest formed different types of sheet structures, either stacked or pillared.
Solid‐Phase Microwave‐Assisted Ligand‐Free Suzuki‐Miyaura Cross‐Coupling of 5‐Iodouridine
Authors: Patel Bhautikkumar , Zunk Dr Matthew , Grant Dr Gary , Rudrawar Santosh
Published: April 2018

A soild‐supported 5‐iodouridine derivative underwent Suzuki‐Miyaura cross‐coupling reactions with various aryl/heteroarylboronic acids under microwave‐assisted ligand‐free conditions yielding 5‐aryl/heteroaryl uridine derivatives. Reactions were performed using Pd(dppf)Cl2 ⋅ CH2Cl2 as catalyst and K3PO4 as base in a tert‐BuOH/toluene/water solvent system. In our synthetic strategy uridine nucleosides were anchored onto 2‐chlorotrityl chloride resin through an acetal linkage blocking the 2′ – and 3′ –OH of the ribose moiety thus allowing an enormous opportunity for modifications on the nucleobase or on the 5′‐position. The described method offers an acid labile acetal linker strategy thus allowing potential application in Fmoc‐Solid‐Phase Peptide Synthesis or late stage modification of uridyl peptide nucleoside antibiotic analogues synthesis.
Effect of Acidity of Ionic Liquids on Hydrogen Bonding Interaction between Ionic Liquids and Lignin Monomers
Authors: Singh Sandip K. , Singh Ajeet
Published: April 2018

In this text, a fundamental analysis for the interaction of lignin derived aromatic monomers in the presence of ionic liquids (ILs) at room temperature has been carried out by using NMR in deuterated DMSO solvent. The study was performed to examine the effect of both Brønsted acidic and non‐acidic protons of ILs on lignin derived aromatic monomers. The aromatic monomers (i. e. vanillin and 4‐hydroxy, 3‐methoxyacetophenone) have assorted functionalities such as ‐CHO, ‐C(O)C, ‐OCH3 and OH. Additionally, this study was also accomplished with aromatic monomer (i. e. cumene) that does not contain any functionality, as above mentioned monomers. Alteration of the ILs (neutral and Brønsted acidic ILs) and aromatic monomers have shown a significant effect on interaction (inter and intra; weak and strong) of acidic proton under neutral and acidic medium. These were also confirmed by the reliable NMR techniques.
Single‐Step Hydrothermal Synthesis of N, S‐Dual‐Doped Graphene Networks as Metal‐Free Efficient Electrocatalysts for Oxygen Reduction Reaction
Authors: Lv Yang , Wang Xianbao , Mei Tao , Li Jinhua , Wang Jianying
Published: April 2018

Doping of heteroatoms and radicals is an important method to improve catalytic performances of graphene. However, typical heteroatom‐doped methods are mostly involved in gas phase deposition or high‐temperature annealing under specific gases, and need exceptional equipment and complicated technology. In this work, we explore a low temperature, thrifty, and ordinary one‐step hydrothermal approach to synthesize nitrogen‐sulfur dual doped reduced graphene oxide (N, S‐rGO) networks at low temperature, therein thiourea was used as both nitrogen (N) and sulfur (S) sources and a reducing agent to make graphene oxide (GO) reduced synchronously with N and S in situ doping into skeleton frame of GO. The synthesized N, S‐rGO has large N and S proportions (2.1 at% and 3.54 at%, respectively), and high‐grade sulfur‐containing types (mainly ‐C‐S‐C‐) and high relative percentage pyridinic‐N (44.6%) and graphitic‐N (33.9%). Many open edges and defects are attached on the surface of the N, S‐rGO, and it is beneficial to improve the electrocatalytic activity of oxygen reduction reaction (ORR). Electrochemical tests show that the N, S‐rGO has the outstanding electrical conductivity and predominant electrocatalytic activity for ORR. Its stability and methanol tolerance are greatly enhanced compared with commercial Pt/C catalyst. The low‐temperature one‐step method offers the probability for the preparation of N, S‐rGO in electronic devices and applications in electrode materials of fuel cells.
Natural Acidic Ionic Liquid Immobilized on Magnetic Silica: Preparation and Catalytic Performance in Chemoselective Synthesis of Dicoumarols and Substituted Xanthene Derivatives
Authors: Azizi Najmedin , Abbasi Faezeh , Abdoli‐Senejani Masumeh
Published: April 2018

A novel magnetically separable natural acidic ionic liquid immobilized on magnetic silica were fabricated by covalent bonding of thiamine (VB1) modified with (3‐glycidyloxypropyl)trimethoxysilane (GMSI) moiety on the silica modified Fe3O4. The catalytic properties have been evaluated in one‐pot multi‐component synthesis of biscoumarins and substituted xanthene derivatives through the Domino Knoevenagel‐Michael reaction of a wide range of substrates under solvent free conditions. A variety of readily accessible aldehydes with different substituted functional groups have been converted to biscoumarins with good to excellent isolated yields and short reaction times. The novel nanocatalyst was characterized by infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD), scanning electron microscopy (SEM/EDS) and thermogravimetric (TG) analysis. The catalyst was reused up to five consecutive cycles with high activity and selectivity and separated easily from the reaction mixture by an external magnetic field.
New 3’‐Triazolyl‐5’‐aryl‐chalcogenothymidine: Synthesis and Anti‐oxidant and Antiproliferative Bladder Carcinoma (5637) Activity
Authors: Munchen Taiana S. , Sonego Mariana S. , de Souza Diego , Dornelles Luciano , Seixas Fabiana K. , Collares Tiago , Piccoli Bruna C. , da Silva Fernanda D'Ávila , da Rocha João Batista T. , Quoos Natália , Rodrigues Oscar E. D.
Published: April 2018

This article describes the synthesis and characterization of new 3’‐triazolyl‐5’‐aryl‐chalcogenothimidyne derivatives. Sulfur, selenium, and tellurium nucleosides were prepared from commercial zidovudine, using a linear synthetic strategy affording these compounds in good yields. The respective molecules were evaluated for cytotoxicity in bladder carcinoma 5637 cells and as an antioxidant agent, showing a linear dependence on the chalcogenium atom for both biological approaches. Tellurium was the most active element, followed by selenium and sulfur.
High Mass and Specific Activity for Ammonia Electro‐oxidation through Optimization of Dispersion Degree and Particle Size of Pt‐Ir Nanoparticles over N‐Doped Reductive Graphene Oxide
Authors: Zhou Yufei , Zhang Guoquan , Yu Mingchuan , Xu Jing , Qiao Sha , Cheng Xue , Yang Fenglin
Published: April 2018

Platinum and iridium co‐supported on N‐doped reductive graphene oxide (N‐rGO) electrocatalysts (Pt−Ir/N‐rGO) were synthesized and investigated for ammonia electro‐oxidation reaction (AOR) in alkaline media. Pt and Ir particles were deposited over the N‐rGO substrate through a potentiodynamic electrodeposition method. The deposition parameters, lower potential limit (EL) and scan rate, play a vital role on the dispersion degree and particle size of Pt−Ir bimetallic nanoparticles over N‐rGO. Additionally, the comparable current densities and a better poisoning inhibition are obtained compared to the commercial Pt (20 wt%)/C indicating that a synergistic effect among Pt, Ir and N‐rGO substrate is existing in favour on the electrocatalytic activity. The N‐rGO substrate with more active sites, higher excellent electrochemical activity and well dispersion for Pt and Ir particles anchoring is a suitable substrate for AOR and would be extended to other catalytic reactions.
Quinoline‐Based Imidazole Derivative as Heme Oxygenase‐1 Inhibitor: A Strategy for Cancer Treatment
Authors: Subashini Gopalan , Vidhya Kalieswaran , Arasakumar Thangaraj , Angayarkanni Jayaraman , Murugesh Easwaran , Saravanan Arjunan , Shanmughavel Piramanayagam , Mohan Palathurai Subramaniam
Published: April 2018

Heme oxygenase (HO) is a cytoprotective enzyme that gets overexpressed under some pathological conditions, like cancer where it provides growth advantage and protection against radiotherapy, chemotheraphy and photodynamic therapy. Earlier studies on HO inhibition were carried out with metalloporphyrins, which not only inhibit HO‐1 but also other constitutively expressed HOs and other heme‐dependent enzymes. Hence, the present study was aimed at synthesizing highly‐substituted imidazole heterocycles as inhibitors of heme oxygenase‐1 (HO‐1). The synthesized compounds were structurally characterized by IR, 1H, 13C NMR, CHN and single crystal XRD analysis. Among the synthesized compounds, compound 6(3‐(4,5‐diphenyl‐1H‐imidazol‐2‐yl)‐6‐methoxy‐1H‐quinoline‐2‐one) showed > 50% HO‐1 inhibitory activity at a least concentration of 9.2 μM and like many pharmaceutically important drugs, it showed competitive inhibition which was confirmed by Lineweaver‐Burk plot. Compound 6 was also tested for cytotoxicity against cancer (A549, MG63, MCF7) and normal cell (HEK293). The compound showed maximum efficacy against A549 cell line and moderate activity against other cell lines. In order to determine the molecular interactions of compound 6 with HO, the molecular docking study was carried out using Schrodinger software, which was in good agreement with experimental observations.
Multicoloured Thiophene Based AIEgens: Single Crystal Structure Elucidation, Spectral Behaviour and DFT Studies
Authors: Mohan Makesh , Pangannaya Srikala , Satyanarayan M. N. , Trivedi Darshak R.
Published: April 2018

A series of Schiff base thiophene derivatives, D1 to D9, which exhibits a phenomenon of aggregation‐induced emission enhancement (AIEE) have been synthesised and characterized by standard spectroscopic techniques. Multicoloured emission enhancement has been achieved just by introduction of electron donating and withdrawing substituent on the thiophene moiety. Few of the molecules in the series exhibited enhanced fluorescence emission intensity in solvent mixture in comparison with that observed in pure solvent supportive of AIE. Single crystal x‐ray diffraction (SCXRD) studies on selected molecules, D6 and D7 of the series revealed the existence of planar structure and a herringbone type of crystal packing arrangement. In specific, molecules D6 and D7, possesses a larger π‐π stacking distance of around 4.866 Å and 4.636 Å, which curbs all the non‐radiative pathways, in turn leading to AIEE. DFT and TDDFT calculations confirm the structural planarity supportive of SCXRD analysis and the nature of electronic transition correlating well with the experimental results.
Fe3+‐Responsive Micelle Based on an Amphiphilic Polymer and a Rhodamine B‐Containing Amphiphile in Aqueous Media
Authors: Yan Liqiang , Gu Xiaofei , Wang Zhongwei , Qi Zhengjian
Published: April 2018

Fe3+‐responsive micelle in aqueous media was achieved based on an amphiphilic polymer and a rhodamine B‐containing amphiphile. This self‐assembly micelle displayed highly selective and sensitive response to Fe3+. After addition of Fe3+, the micelle was destroyed along with the significant color variance of the solution from light yellow to red and an “Off‐On” fluorescence phenomenon.
Surfactant‐Enhanced Luminescence Lifetime for Biomolecular Detection on Luminescent Gold Surfaces Decorated with Transition Metal Complexes
Authors: Adams Samuel J. , Carrod Andrew J. , Rochford Luke A. , Walker Marc , Pikramenou Zoe
Published: April 2018

In the development of sensors based on multimodal detection, luminescent probes are attractive for providing a sensitive signal read‐out, based either on intensity, wavelength shift or luminescence lifetime. The implicit simplicity of the devices that can be created is dependent of the judicious design of the multimodal probe. We have used transition metal probes which offer combined versatility due to their electroactive and photoluminescent properties, as well as their sensitivity to local environment. We report the influence of surfactant upon the formation of luminescent surfaces with metal complexes based on ruthenium(II), iridium(III) and osmium(II) bearing surface active groups. The results reveal an enhancement of the luminescence lifetime when a mixed monolayer with surfactant is formed. Characteristically, the luminescence lifetime of the ruthenium tris‐bipyridyl complex attached to the gold surface increases from 210 ns to 765 ns in the presence of a fluorinated surfactant. The luminescence signal of the modified gold surfaces is also responsive to bovine serum albumin and fetal bovine serum adsorption, demonstrating interaction of the protein with the metal complex in the presence of the surfactant. The biomolecular interaction with the functionalised surfaces is also evidenced by surface plasmon resonance response.
Synthesis of Naphthalimine‐derived Dye and Its Applications in Fluorescent Imaging and Dyeing Surgical Suture Materials
Authors: Xiong Xiaoqing , Zhi Weiru , Yan Jun , Song Wenjing , Du Hui , Zhao Hongjuan , Li Feixia , Song Fengling , Sun Yanfeng , Zheng Laijiu
Published: April 2018

In this study, NP‐indometacin, which was based on the two‐photon naphthalimine, was designed and synthesized. The anti‐inflammatory material indometacin was introduced into NP‐indometacin so that the toxicity of this fluorescent dye was reduced when applied to living organisms. NP‐indometacin had high fluorescence quantum efficiency (0.98 in DMSO), a large Stokes shift (>77 nm) and feasible two‐photon action cross section (45 GM in DMSO). NP‐indometacin was utilized for the fluorescence imaging of living cells, and the high cell viability rate (>80%) indicated that this material had low toxicity in living organisms. NP‐indometacin was used to dye absorbable collagen surgical suture and constructed fluorescent surgical suture. It was found by one‐ and two‐photon fluorescence imaging that NP‐indometacin distributed uniformly both outside and inside the sutures. Therefore, the straightforward synthesis of NP‐indometacin and the wide availability of its constituents mean that it could both be highly useful for the observation of the healing of wounds and as a fluorescent warning material that is used in vivo.
A Powerful Synthesis Strategy of Novel Non‐Symmetrical Camphor‐Based Guanidines
Authors: Ortmeyer Jochen , Schneider Tobias , Flörke Ulrich , Henkel Gerald , Neuba Adam
Published: April 2018

A convenient synthesis strategy for chiral camphor‐based non‐symmetrical bis‐guanidines with different peralkylated units is presented. The modular synthetic pathway to the first C1‐symmetric guanidines enables the implementation of chirality together with steric and electronic asymmetry via a step by step guanidinisation of camphor bis‐amine. The described guanidines were characterized using 1H and 13C NMR spectroscopy, ESI mass spectrometry, elemental analysis and X‐ray crystallographic analysis.
1 in 10: the diabetes crisis in men
Authors: Baker Peter
Published: April 2018

Diabetes has been described as a national health emergency, but the burden of the disease on men has not been fully recognised or responded to by health policymakers and practitioners. One man in 10 now has type 1 or type 2 diabetes, and a three‐fold increase in the incidence of diabetes in middle‐aged men has been predicted for the next 30 years. Peter Baker looks at the issues.
Donating equipment to Zimbabwe
Authors: Thompson Alice , Watson Graham
Published: April 2018

Donating medical equipment to poorer countries is not as simple as it might seem. In this article the authors describe a donation and teaching programme undertaken by the charity Medi Tech Trust in Zimbabwe. They also discuss some of the challenges that donating equipment, both new and used, entails.
The top 5 sections of the FERPA regulations: The dark side of §99.31
Authors: Rainsberger Richard
Published: April 2018

During the summer of 2000, a college student filed a complaint with the Family Policy Compliance Office. She claimed that her Family Educational Rights and Privacy Act rights had been violated because the health center at the college shared her medical treatment information with the dean of students.
A study of action point correction factor for L‐type flanges of wind turbine towers
Authors: Tobinaga Ikuo , Ishihara Takeshi
Published: April 2018

A correction factor accounting for the effect of elastic deformation of flange is proposed for the ultimate strength analysis of L‐type flanges used for wind turbine towers. It is derived based on systematic analyses and explicitly expressed as a function of flange dimensions. The proposed factor is simple and suitable for the engineering applications, comparing with the conventional formula for the ultimate strength analysis of flange connections.
Assessing Student Leadership Development From Mentoring, Coaching, and Advising
Authors: Bureau Daniel A. , Lawhead Justin
Published: April 2018

Leadership educators must demonstrate the contributions their programs make to the learning and development of students. This chapter provides an overview of assessment principles for educators to apply in their practices of mentoring, coaching, and advising.
Leadership Development in Digital Spaces Through Mentoring, Coaching, and Advising
Authors: Guthrie Kathy L. , Meriwether Jason L.
Published: April 2018

The increasing population of students engaging in online and digital spaces poses unique leadership development challenges in mentoring, coaching, and advising. This chapter discusses the importance of using digital spaces for leadership development and students’ sense of belonging.
Synthesis, Performance, and Thermal Behavior of a Novel Insensitive EDNA/DAT Co‐crystal
Authors: Hussein Ahmed K. , Zeman Svatopluk , Elbeih Ahmed
Published: April 2018

Due to the acidity and the limited applications of 1,4‐dinitro‐1,4‐diazabutane (EDNA), a novel nitrogen rich energetic co‐crystal based on EDNA and 1,5‐diaminotetrazole (DAT) in a 1:2 molar ratio was synthesized. The formation of the co‐crystal was tested by scanning electron microscope (SEM), powder X‐ray diffraction (PXRD) and Raman spectroscopy. Based on the elemental analysis and the enthalpy of combustion obtained by the calorimetric bomb, the enthalpy of formation was calculated to be 196.9 kJ·mol–1. Sensitivity to impact was measured and 50 % probability of initiation was 9.7 J for the co‐crystal. In addition, the detonation characteristics were predicted by EXPLO5 Code. The detonation velocity (D) and the detonation pressure (P) of the co‐crystal are 8254.5 m·s–1 and 26.7 GPa, respectively. The thermal behavior and decomposition kinetics of the co‐crystal and the coformer were described using nonisothermal differential scanning calorimetry (DSC) and thermogravimetry/differential thermogravimetry (TG/DTG) techniques. There is an obvious difference between the thermal behavior of the co‐crystal and the coformer. The activation energy of the co‐crystal (125.3 kJ·mol–1) is lower than the coformer. The obtained co‐crystal has high nitrogen content and acceptable sensitivity to external stimuli, which makes it promising for expanding the reuse of EDNA in ammunition after overcomeing its acidity problem.
Risks, Health Consequences, and Response Challenges for Small-Island-Based Populations: Observations From the 2017 Atlantic Hurricane Season
Authors: Shultz James M. , Kossin James P. , Shepherd J. Marshall , Ransdell Justine M. , Walshe Rory , Kelman Ilan , Galea Sandro
Published: April 2018

The intensely active 2017 Atlantic basin hurricane season provided an opportunity to examine how climate drivers, including warming oceans and rising seas, exacerbated tropical cyclone hazards. The season also highlighted the unique vulnerabilities of populations residing on Small Island Developing States (SIDS) to the catastrophic potential of these storms. During 2017, 22 of the 29 Caribbean SIDS were affected by at least one named storm, and multiple SIDS experienced extreme damage. This paper aims to review the multiplicity of storm impacts on Caribbean SIDS throughout the 2017 season, to explicate the influences of climate drivers on storm formation and intensity, to explore the propensity of SIDS to sustain severe damage and prolonged disruption of essential services, to document the spectrum of public health consequences, and to delineate the daunting hurdles that challenged emergency response and recovery operations for island-based, disaster-affected populations. (Disaster Med Public Health Preparedness. 2019;13:5–17)