bluuebunny/crossref_metadata_2025 huggingface dataset:
Tyrian purple in archaeological textiles: DMF extraction and recrystallization for the Raman identification of precursors and derivatives
Authors: Doherty Brenda , Nowik Witold , Miliani Costanza , Clementi Catia
Published: January 2017

The prized ancient dyestuff, Tyrian purple, has been extensively and widely studied by multiple spectroscopic and chromatographic methods alike. In this paper, an extraction method adopted by liquid chromatography by using N,N‐dimethylformamide is proposed as a sample pre‐treatment for the characterization of minor reference brominated and unsubstituted isatin and indirubin components by micro‐Raman spectroscopy. The method has been validated for the identification of these constituents in accordance with HPLC PDA measurements on a series of Tyrian purple‐dyed wool, silk and cotton textiles and in archaeological samples from the Roman period. It results specifically effective in cases when high‐scattering dibromoindigoids are not revealed and when main indigoid spectral features, seemingly of plant origin, can only be reasonably hypothesized by conventional Raman. This method also innovatively highlights the possible presence of carotenoids and porphyrin‐type copper and iron complexes, noted in marine molluscs, and potentially opening a new perspective to the current diagnostics of Tyrian purple through its biomarkers in the cultural heritage domain. Copyright © 2017 John Wiley & Sons, Ltd.
Broadening the Perspective on Mobile Marketing: An Introduction
Authors: Fritz Wolfgang , Sohn Stefanie , Seegebarth Barbara
Published: January 2017

The authors elucidate the current state of the new millennium phenomenon called mobile marketing. In the process, they consider the proliferation in mobile technology and devices and comment on future possibilities in the realm of mobile marketing. Following this, they introduce and provide brief descriptions of each of the articles in this issue. Collectively, these articles enlighten the reader on aspects of consumer behavior in a mobile‐dominated marketing world.
Role of Corpus Callosum Volumetry in Differentiating the Subtypes of Progressive Supranuclear Palsy and Early Parkinson's Disease
Authors: Lenka Abhishek , Pasha Shaik Afsar , Mangalore Sandhya , George Lija , Jhunjhunwala Ketan Ramakant , Bagepally Bhawani Shankar , Naduthota Rajini M. , Saini Jitender , Yadav Ravi , Pal Pramod Kumar
Published: January 2017

Background and Objective

Progressive supranuclear palsy (PSP) is a progressive neurodegenerative disorder. Classic PSP or Richardson‐Steele phenotype (PSP‐RS) and parkinsonian phenotype (PSP‐P) are the common subtypes of PSP. At the early stage, differentiating the subtypes of PSP as well as differentiating PSP from other parkinsonian disorders, especially Parkinson's disease (PD) is challenging. Microstructural abnormalities of corpus callosum (CC) have been reported both in PSP and PD. The objective of this study was to compare the volumes of various segments of CC between patients with PSP‐P, PSP‐RS, and early PD.

Methodology

This study included 32 patients with PSP (RS: 18, P: 14), 20 patients with early PD, and 25 controls. All subjects underwent 3‐Tesla MRI. An automated surface‐based analysis package (FreeSurfer) was used to divide CC into five segments: anterior (CC1), midanterior (CC2), central (CC3), midposterior (CC4), and posterior (CC5). Volumes of these segments were compared among the four groups.

Results

The PSP‐RS group had significantly lower CC volume in all segments except in CC1 and CC5, whereas the volumes of the five segments of CC were comparable among PSP‐P, PD and controls. The PSP‐RS group had lower CC3 volume compared to the PSP‐P group, and the PSP‐RS group had lower volume of both CC2 and CC3 compared to the PD group.

Conclusions

The lower volume of the central segment of CC (CC3) might help in differentiating PSP‐RS from PSP‐P. There is no significant difference in the pattern of CC atrophy in PSP‐P and early PD. Studies with higher sample sizes are warranted to confirm the results of our study.
How Postpartum Women With Depressive Symptoms Manage Sleep Disruption and Fatigue
Authors: Doering Jennifer J. , Sims Dauphne A. , Miller Donald D.
Published: January 2017

Postpartum sleep and fatigue have bidirectional relationships with depressive symptoms and challenge women's everyday functioning. The everyday process of managing postpartum sleep and fatigue in the context of depressive symptoms remains unexplored. We conducted a grounded theory study with a sample of 19 women who screened positive on the Postpartum Depression Screening Scale (PDSS™) Short Form at 3 weeks postpartum. Women completed semi‐structured in‐home interviews and the full PDSS and Modified Fatigue Symptoms Checklist at 1, 3, and 6 months postpartum. The sample was on average 27 years old, with 2.8 children, and 63% were African‐American. They described a basic social process of Finding a Routine Together, during which women's experiences with their infants progressed from Retreating at month 1 toward Finding a New Normal at month 6. In their work to Find a Routine Together, mothers’ patterns of change over time were continuous, gradual, or prolonged. Their progress was influenced by depressive symptoms, social support, work and daycare, stability in social circumstances, and underlying stressors. This study's findings suggest the need to allocate resources and tailor interventions to meet the needs of women who are most vulnerable to the health effects of ongoing persistent severe fatigue, disordered sleep, and sub‐clinical and clinical levels of depressive symptoms. © 2017 Wiley Periodicals, Inc.
First trimester noninvasive fetal RHD genotyping using maternal dried blood spots
Authors: Xiong Yali , Jeronis Stacey , Hoffman Barbara , Liebermann Dan A. , Geifman‐Holtzman Ossie
Published: January 2017

Objective

This study was aimed to evaluate whether maternal dried blood spots could be a potential source for the noninvasive fetal RHD genotyping, serving as a combined one‐step test for both the First Trimester Screen and the fetal RHD genotyping.

Method

Both the maternal dried blood spots and the peripheral blood samples from 19 RhD‐negative pregnant women were obtained during the First Trimester Screen. DNA was extracted and sequential real‐time PCRs were performed to determine the fetal RHD genotypes. Fetal RhD serological types were obtained after delivery. This study was approved by the Institutional Review Board, and informed consents were obtained.

Results

A total of 19/19 fetal RHD genotyping with maternal DBS were consistent with the follow‐up serological RhD test results after birth. Eleven were RhD positive, and eight were RhD negative (RHD deletion or RHD‐CE‐D = 6, RHD pseudogene = 1, RHDVI = 1). Sensitivity = 100%, specificity = 100%, positive predictive value = 100%, negative predictive value = 100%. A total of 18/19 fetal gender were determined correctly with maternal DBS. One female fetus was falsely determined as male. Sensitivity = 100%, specificity = 91.6%, positive predictive value = 87.5%, negative predictive value = 100%.

Conclusion

Maternal dried blood spots, with the benefits of flexible sample transportation and processing, could be utilized for the noninvasive prenatal fetal RHD genotyping and potentially be incorporated into the routine First Trimester Screen. Larger scale study is in progress to implement fetal RHD genotyping in routine prenatal care. © 2017 John Wiley & Sons, Ltd.
Comparison of Rates of Nephrotoxicity Associated with Vancomycin in Combination with Piperacillin‐Tazobactam Administered as an Extended versus Standard Infusion
Authors: Mousavi Mariam , Zapolskaya Tanya , Scipione Marco R. , Louie Eddie , Papadopoulos John , Dubrovskaya Yanina
Published: January 2017

Study Objective

Despite recent reports of relatively high rates (16–37%) of acute kidney injury (AKI) in patients receiving the combination of intravenous piperacillin‐tazobactam (PTZ) and vancomycin, data are limited evaluating the impact ofPTZinfusion strategy on the occurrence of nephrotoxicity. The objective of this study was to compare the rates of nephrotoxicity in patients receiving vancomycin in combination withPTZadministered as an extended infusion (EI) versus a standard infusion (SI).

Design

Single‐center, retrospective, matched‐cohort study.

Setting

Large academic tertiary care hospital.

Patients

Two hundred eighty adults with a creatinine clearance (CrCl) of 40ml/minute or higher who received at least 96 hours of vancomycin plusPTZ EI(140 patients) or vancomycin plusPTZ SI(140 patients) between January 1, 2009, and December 31, 2011, and between January 1, 2013, and December 31, 2014 (year 2012 was skipped due the closure of inpatient units following Superstorm Sandy); 48 patients in each group were admitted to the intensive care unit.

Measurements and Main Results

The median age of all patients was 67 (interquartile range [IQR] 54–77) years, and CrCl was 75 (IQR55–107)ml/minute. Nephrotoxicity was assessed by the risk, injury, failure, loss, and end‐stage kidney disease (RIFLE) and Acute Kidney Injury Network (AKIN) criteria. Rates ofAKI, according to these criteria, were similar between groups: 17.9% versus 17.1% (p=1) and 32.9% versus 29.3% (p=0.596) for thePTZ EIandPTZ SIgroups, respectively. When controlling for residual differences between groups in a conditional logistic regression analysis, no association was observed between receipt ofPTZ EIandRIFLE‐definedAKI(odds ratio 0.522, 95% confidence interval 0.043–6.295, p=0.609). Time to onset of nephrotoxicity was 4 (IQR3–6) days, with no significant difference noted between groups (p=0.887).

Conclusion

Our findings suggest a similar rate of nephrotoxicity between patients who received vancomycin in combination withPTZ EIversusPTZ SI. These results need to be further validated in a prospective randomized controlled study.
Exceptional Calabi–Yau spaces: the geometry of backgrounds with flux
Authors: Ashmore Anthony , Waldram Daniel
Published: January 2017

In this paper we define the analogue of Calabi–Yau geometry for generic , flux backgrounds in type II supergravity and M‐theory. We show that solutions of the Killing spinor equations are in one‐to‐one correspondence with integrable, globally defined structures in generalised geometry. Such “exceptional Calabi–Yau” geometries are determined by two generalised objects that parametrise hyper‐ and vector‐multiplet degrees of freedom and generalise conventional complex, symplectic and hyper‐Kähler geometries. The integrability conditions for both hyper‐ and vector‐multiplet structures are given by the vanishing of moment maps for the “generalised diffeomorphism group” of diffeomorphisms combined with gauge transformations. We give a number of explicit examples and discuss the structure of the moduli spaces of solutions. We then extend our construction to and flux backgrounds preserving eight supercharges, where similar structures appear, and finally discuss the analogous structures in generalised geometry.
Computational study on vapor phase coupling reaction between diiso(thio)cyanates with diamines, diols, and dithiols
Authors: Lee Jae Young , Kim Ahhyun , Oh Woo‐Suk , Shong Bonggeun
Published: January 2017

Coupling between iso(thio)cyanates and amines, alcohols, and thiols to yield (thio)urea/urethane in the gas phase is important for the vacuum deposition processes of functional organic thin films such as molecular layer deposition or chemical vapor deposition. In this study, the kinetics and thermodynamics of 12 reactions between bifunctional reactants containing NCO/NCS and NH2/OH/SH moieties were calculated using double‐hybrid density functional theory to find systematic structure–reactivity relationships. The activation energy for the proton‐transfer step was correlated with the basicity of the nucleophile/Brønsted acid reactants, while the exothermicity of the coupling reaction depends on whether the other functionality is NCO or NCS. Analysis of the transition states revealed that the location of the transition state is affected by the basicity of the reactants. Vibrational and electronic spectra of the product were obtained to help future experimental investigations.
Simultaneous determination of volatile organic compounds with a wide range of polarities in urine by headspace solid‐phase microextraction coupled to gas chromatography/mass spectrometry
Authors: Song Han‐Na , Kim Chong Hyeak , Lee Won‐Yong , Cho Sung‐Hee
Published: January 2017

Rationale

Volatile organic compounds (VOCs) are ubiquitous environmental pollutants that have a high vapor pressure at room temperature. Some VOCs have been classified as carcinogenic to humans by the International Agency for Research on Cancer (IARC), because they can bind to DNA and cause cell mutations. Therefore, monitoring of VOCs in human urine is very important to evaluate the correlation between exposure to VOCs and human disease.

Methods

We have developed an improved analytical method for the simultaneous determination of VOCs with a wide range of polarities in human urine samples by headspace solid‐phase microextraction (HS‐SPME) coupled to gas chromatography/mass spectrometry (GC/MS). In the improved method, a bi‐polar carboxen‐polydimethylsiloxane (CAR/PDMS) fiber was used for the optimized extraction of 15 VOCs with a wide range of polarities, including benzene, toluene, ethylbenzene, xylenes (BTEX), alkylbenzenes, cresols, and naphthalene, in human urine samples. Extracted VOCs from the human urine were effectively separated by GC using a mid‐polarity column (DB‐35, 35% phenylmethylpolysiloxane) and monitored by MS using extracted ion monitoring (EIM) mode.

Results

Under the optimized method, the linearity of the calibration curves was greater than 0.993. The limits of detection (LODs) at a signal‐to‐noise (S/N) ratio of 3 were 0.3–0.6 ng/mL. The coefficients of variation were in the range of 0.1–9.7% for within‐day variation and 0.2–14.2% for day‐to‐day variation.

Conclusions

The method was shown to be rapid and simple for the simultaneous determination of VOCs with a wide range of polarities in human urine and it could be applied to monitoring and to biomedical investigations to check exposure to VOCs. Copyright © 2017 John Wiley & Sons, Ltd.
Recurrent haemoptysis as a symptom of severe pulmonary vein stenosis—a rare complication of catheter ablation in atrial fibrillation
Authors: Romantowski Jan , Kuziemski Krzysztof , Janowicz Alicja , Siemińska Alicja , Szurowska Edyta , Jassem Ewa
Published: January 2017

A pulmonary vein stenosis is a known adverse event of catheter ablation in atrial fibrillation. However, it should be considered due to high frequency of such procedures. Haemoptysis, a symptom of severe stenosis, is often misdiagnosed as other different diseases. We present a case report of a 52‐year‐old patient with recurrent haemoptysis, dyspnoea, and fatigue, which turned out to be complication after catheter ablation. Successful treatment with drug‐eluting stent (DES) was implemented with vast clinical improvement and follow‐up.
From externality in economics to leakage in carbon markets: An anthropological approach to market making
Authors: Zhang Shaozeng
Published: January 2017

This article aims to demonstrate how anthropological studies may contribute to the economic experimentation toward a “good” market, that is, a market always open to uncertainty and contestation by different stakeholders. Taking up the recent call to study “marketization,” this is an ethnographic study of on‐the‐ground practices in experimenting with the REDD+ carbon trading scheme and institutionalizing the REDD+ carbon markets. Focusing on a pilot REDD+ project in the Brazilian Amazon, this article engages the formulation of the technical concept of leakage both in the economic theories of externalities and in the challenging practice of monitoring and calculating leakage. In the economic conceptualization of externalities, leakages are but the new externalities generated by the process of making new markets to internalize the externalities of previous markets. Whereas current debates about carbon leakages are predominantly concerned with the limited capacity of existing technologies for leakage monitoring and calculation, I suggest rethinking the leakage issue in a different rationale: Insufficient leakage accounting is an inevitable result of a forever imperfect process of framing in marketization. This article is focused on leakages in carbon markets not only as the subject of my ethnographic inquiry but also as an entry point for my theoretical extrapolation, because leakages have the advantage of making visible the social–technological assemblages for marketization, exposing the unequal power relations between the various stakeholders and thus opening onto new modalities of market framing and economic theorization.
Entrepreneurial Orientation, Legitimation, and New Venture Performance
Authors: Wang Taiyuan , Thornhill Stewart , De Castro Julio O.
Published: January 2017

Research summary

We integrate research on entrepreneurial orientation and new venture legitimacy. To create value from an entrepreneurial orientation, firms need to possess necessary resources and capabilities, which new ventures often lack due to their liability of newness. We posit that legitimation helps overcome these constraints by enabling new ventures to acquire necessary resources and develop essential capabilities, and argue that entrepreneurial orientation and legitimation jointly enhance new venture performance. We analyzed data on 149 new ventures and found support for this argument. This study opens new research avenues by extending and incorporating explanations and predictions of entrepreneurial orientation and legitimation, two areas that largely have been considered as independent of each other.

Managerial summary

In the absence of a clear connection between legitimacy and economic returns, entrepreneurs and managers may not give strategic priority to legitimation. We find that new ventures with an entrepreneurial orientation as demonstrated by innovative, proactive, and risk‐taking decisions and behaviors can achieve superior performance if they also actively undertake legitimation efforts to meet stakeholders’ cognitive, regulative, and normative expectations. This study suggests that neglecting legitimation as an important competitive tool may be a greater mistake than previously has been realized, especially for new ventures with an entrepreneurial orientation. Copyright © 2017 Strategic Management Society
Using Emotional Intelligence to Drive Enrollment Performance: An Integrative Review of the Literature
Authors: Maxwell Mardell
Published: January 2017

This article explores the use of emotional intelligence (EQ) as a leadership characteristic to drive enrollment performance at colleges and universities in the United States. The next decade of higher education will present continuous, dramatic, and transformational change in higher education. New paradigms and educational delivery systems will become commonplace. Federal legislation may strongly influence admission practices, tuition increases, and mandates for standard retention and graduation rates. Changing demographics and an uncertain international climate will alter the population of future university classes. Resources that assist college students in paying for their education will likely decrease. Technology will continue to make higher education available to students of all ages and at all times of the day and night. In short, change will be constant, and effective leadership among educational administrators, such as enrollment managers, will be imperative. The relationship between EQ, leadership effectiveness, and enrollment performance are examined. The article concludes with a review of emotional intelligence research in higher education and a discussion of the implication of enrollment performance for EQ research and practice.
An Experimental Study on the Reduction Kinetics of Iron Titanium Based Oxygen Carriers with CO Validated by First Principle Calculations
Authors: Liu Yu‐Cheng , Nachimuthu Santhanamoorthi , Tsau Kai‐Hao , Ku Young , Jiang Jyh‐Chiang
Published: January 2017

Iron titanium based oxygen carriers are synthesized for chemical looping combustion process. The kinetics of reduction mechanism for three iron titanium based oxygen carriers with CO have been investigated using experimental and density functional theory (DFT) methods. Fe2TiO5shows higher reactivity towards CO than the others. The experimentally predicted activation energies are in good agreement with the DFT results. We have also investigated the formation of coke and our results clearly confirm that Boudouard reaction is responsible for the carbon generation at the end of the reduction mechanism. Further, the calculated carbon generation barriers are much higher than the reduction barrier, which indicate that we can control the operating temperature to avoid coke formation.
A Two‐Dimensional Supramolecular Ice Layer Containing “Quasi‐Chair” (H2O)6 Hexagons Templated by Organic Carboxylic Host
Authors: Luo Yang‐Hui , Wu Dong‐En , Wen Gao‐Ju , Gu Lian‐Shuai , Chen Lan , Wang Jin‐Wen , Sun Bai‐Wang
Published: January 2017

Despite a myriad of investigations have been performed both experimentally and theoretically, water remains not fully understood. Here, a new two‐dimensional (2D) supramolecular ice layer, which containing (H2O)6 hexagonal rings with “quasi‐chair” conformation, has been templated by an organic carboxylic host 1‐methyl‐4‐imidazole‐carboxylic acid. This unique infinite 2D ice layer, which is almost identical to ice Ih, packed into three‐dimensional architecture via hydrogen bonding contacts regulated by 1D chains of organic hosts, giving a slit‐width between adjacent layers of about 1.2 nm (12 Å).
Vortex Fluidics Improved Morphology of CH3NH3PbI3‐xClx Films for Perovskite Solar Cells
Authors: Sudchanham Jutarat , Batmunkh Munkhbayar , Reutrakul Vichai , Shapter Joseph G. , Raston Colin L. , Pakawatpanurut Pasit
Published: January 2017

We report the use of a vortex fluidic device (VFD) to prepare the precursor solution for CH3NH3PbI3‐xClx perovskite films. These films exhibited improved surface coverage and enhanced light absorption relative to conventional batch processing used for preparing the precursor solution. This VFD‐assisted perovskite solar cell displayed a power conversion efficiency of 11.65 %, which is significantly higher than 9.26 % of the control device.
A New Type Hydrogen Permeable Membrane and Application for H2O2 Synthesis
Authors: Yamanaka Ichiro , Satake Yuichiro , Pantira Privatananupunt , Hiraki Daisuke , Ogihara Hitoshi
Published: January 2017

Development of a hydrogen permeable membrane reactor in chemical process has been desired because of a great reduction of energy consumption. Previous studies were limited to Pd membranes. A new type of hydrogen permeable membrane layered three sheets (a reduction‐Pt‐catalyst sheet | a proton and electron co‐conductive sheet | an oxidation‐Pt‐catalyst sheet) was developed. The middle sheet was prepared by casting a paste of carbon powder and Nafion solution. When a gas mixture of H2 and He (1:1) was introduced to the oxidation‐catalyst compartment at 298 K, a high concentration of H2 was observed in the reduction‐catalyst compartment, a maximum H2/He ratio as 217. H2 selectively permeated through the membrane. This concept was applied for synthesis of H2O2. When O2 and H2 were respectively introduced to the Co‐N−C reduction‐catalyst and the Pt oxidation‐catalyst, production of a pure H2O2 aqueous solution of 3.8 mol dm−3 was succeeded with a good selectivity as 42 % based on H2 at 278 K.
Er(OTf)3 Assisted Efficient Synthesis of 3‐Hydroxynaphthalene‐1, 4‐Dione Derivatives via Pseudo Four‐Component Reactions and Their Biological Evaluation
Authors: Kumar Madasamy , Sribalan Rajendran , Padmini Vediappen
Published: January 2017

A green, operationally simple and highly efficient one pot four‐component approach for the synthesis of 2‐hydroxy‐3‐((5‐hydroxy‐3‐methyl‐1‐phenyl‐1H‐pyrazol‐4‐yl)(phenyl)methyl) naphthalene‐1,4‐dione derivatives has been developed by a domino reaction. Ethyl acetoacetate, aromatic aldehyde, 2‐hydroxynaphthaquinoline and phenylhydrazine derivative was used as the reagent and Er(OTf)3 as the catalyst. This approach offers the advantages of clean and simple methodology, short reaction time, no column purification, low environmental impact, simple isolation of product and good yield. The synthesized compounds (5a‐o) were screened for in vitro antioxidant and anti‐inflammatory activities and the results were compared with standards.
Hybrid Material of PANI with TiO2‐SnO2: Pseudocapacitor Electrode for Higher Performance Supercapacitors
Authors: Bolagam Ravi , Boddula Rajender , Srinivasan Palaniappan
Published: January 2017

Mixed metal oxide composites of TiO2‐SnO2were prepared by varying the quantities of SnCl2.2H2O by the impregnation method to TiO2. Aniline monomer was polymerized in the suspension of TiO2‐SnO2to form organic‐inorganic composite materials, in which metal oxide particles were embedded within polyaniline (PANI‐SA). Formation of the composite was confirmed from FT‐IR, XRD and EDAX analyses and morphological image was found from FE‐SEM. The electrochemical properties were investigated using CV, CD and EIS analyses. PANI‐SA•TiO2‐SnO2showed higher electrochemical performances than that of PANI‐SA•TiO2or PANI‐SA•SnO2, which areattributed from (i) higher electron transfer rate due to reduction in band gap and (ii) more space between the nano rods, which allow the electrolyte to interact more surface of the electrode. The best PANI‐SA•TiO2‐SnO2material exhibited a specific capacitance of 540 F g−1with an energy density of 27 Wh kg−1at a power density of 200 W kg−1. Retention in capacitance of 85 % was obtained even at 6000 cycles and this organic‐inorganic composite fulfilled the requirement of long durability necessary for an energy storage system.
Metal Ion Directed Tautomeric Polymorphism in a Hydrazonamide/Hydrozonate System
Authors: Mandal Arkalekha , Patel Bhisma K.
Published: January 2017

Ortho and para‐aminophenyl substituted hydrazonamide ligands viz. 2‐amino‐benzoic acid (amino‐pyridin‐2‐yl‐methylene)‐hydrazide and 4‐amino‐benzoic acid (amino‐pyridin‐2‐yl‐methylene)‐hydrazide) can exist in two tautomeric forms. The hydrazonamide (keto) form of the former ligand is only observed in free ligand, while its enolate form exists in some of its metal complexes. Both hydrazonamide and hydrazonate tautomers possess a six membered intramolecular hydrogen bond between the o‐amino group and amide oxygen or imino nitrogen respectively. As a result, hydrazonamide and hydrazonate tautomeric forms exist in different molecular conformation and thus ‘tautomeric polymorphism’ is observed in this system. The evidence of tautomerism and consequent conformational change in metal complexes of 2‐amino‐benzoic acid (amino‐pyridin‐2‐yl‐methylene)‐hydrazide is well supported by both DFT and NBO studies.
Platinum functionalized Chiral Polyamides: Efficient Heterogeneous Catalyst for Solvent Free Asymmetric Hydrogenation of Ethyl 2‐oxo‐4‐phenylbutanoate
Authors: Sharma Poonam , Sharma Rakesh K.
Published: January 2017

The present study highlights platinum nanoparticles incorporated chiral polyamide for asymmetric hydrogenation of carbonyl group. Chiral polyamides are synthesized from chiral monomers, camphoric dichloride and achiral diamine monomers by interfacial condensation reaction. This chiral polyamide supports have helical structure with molecular chirality. The polyamide helices provide chiral environment to platinum nanoparticles that transfer to substrate during catalytic hydrogenation. The chemical and optical selectivity increases with dispersion of platinum nanoparticles on chiral polyamide which act like isolated single atomic catalytic centers. The distribution of nanoparticles depends on spacer used in amine monomer unit. The catalytically active single atom nanoparticles have preferentially Pt (111) planes and exhibit excellent selectivity up to 10 cycles (TOF > 5400 h−1 and > 99.9% ee) in asymmetric hydrogenation reaction of ethyl 2‐oxo‐4‐phenylbutanoate under solvent free condition.
Synthesis of Hierarchical Cobalt Phosphate Nanoflakes and Their Enhanced Electrochemical Performances for Supercapacitor Applications
Authors: Theerthagiri Jayaraman , Thiagarajan Kannadasan , Senthilkumar Baskar , Khan Ziyauddin , Senthil Raja Arumagam , Arunachalam Prabhakarn , Madhavan Jagannathan , Ashokkumar Muthupandian
Published: January 2017

Hierarchical structured cobalt phosphate (Co3(PO4)2) nanoflakes were synthesized by simple co‐precipitation method and employed as electrodes for supercapacitor. The purity and phase formation of the synthesized (Co3(PO4)2) nanoflakes were ascertained by XRD and XPS measurements. The surface morphology and elemental composition of the Co3(PO4)2 nanoflakes were observed by using FE‐SEM, TEM and EDS. The electrochemical behaviour of the present material as an anode material for supercapacitor was explored by cyclic voltammetric measurements and galvanostatic charge‐discharge analysis. The specific capacitance for the as‐synthesized and calcined (Co3(PO4)2) nanoflakes electrodes was 132 and 210 Fg−1 at a scan rate of 10 mV s−1. The enhanced electrochemical behaviour of the calcined Co3(PO4)2 nanoflakes might be due to its well crystalline nature which offers more active sites for faradaic reactions, good conductivity and rapid diffusion of the electrolyte ions. The fabricated Co3(PO4)2 electrode displayed an excellent cyclic stability with 95 % retention of initial specific capacitance after 800 cycles. An enhanced effect on the electrochemical properties of the Co3(PO4)2 nanoflakes has been proposed.
Eco–friendly and Easily Prepared GrapheneNanosheets for Safe Drinking Water: Removal of Chlorophenoxyacetic Acid Herbicides
Authors: Kamaraj Ramakrishnan , Pandiarajan Aarthi , Gandhi Muniyappan Rajiv , Shibayama Atsushi , Vasudevan Subramanyan
Published: January 2017

The environmental friendly and cost‐effective few‐layered graphene nanosheets (GNs) are identified as superior adsorbent for chlorophenoxyacetic acid herbicides, such as 2,4‐dichlorophenoxyacetic acid (2,4‐D), 2‐(2,4‐dichlorophenoxy) propanoic acid (2,4‐DP), 4‐chloro‐2‐methylphenoxyacetic acid (MCPA), 2,4,5‐trichlorophenoxyacetic acid (2,4,5‐T) and 2‐(2‐methyl‐4‐chlorophenoxy) propionic acid (MCPP) from an aqueous solution. The effects of pH, ionic strength and temperature on the adsorption of herbicides were explored. The prepared GNs showed the maximum removal efficiencies of 82, 80, 86, 82 and 70% for 2,4‐D, 2,4‐DP, 2,4,5‐T, MCPA and MCPP respectively. The results revealed that the adsorption follows a pseudo‐second‐order kinetics model and confirms the Langmuir adsorption isotherm. From the thermodynamic parameters, it is suggested that the adsorption of herbicides on GNs follows the endothermic and spontaneous processes. The results show that the electrochemically prepared GNs will be considered the suitable material for water purification in the near future.
A Flexible Porous MOF Exhibiting Reversible Breathing Behavior through Single‐Crystal to Single‐Crystal Transformation
Authors: Wang Lin , He Wei‐Wei , Yao Zhao‐Quan , Hu Tong‐Liang
Published: January 2017

A two dimensional (2D) flexible Zn(II) MOF (1) with intra‐layer channels has been synthesized using a mixed ligand strategy. Interestingly, 1 exhibits reversible breathing behavior upon desolvation/resolvation in crystal state, causing responsive luminescence together with visible color changes. Furthermore, the above‐mentioned process even occurred when 1 exposed to humid atmosphere or immersed in various organic solvents.
Structures and Magnetostructural Correlation Analyses for Two Novel Hexanuclear Complexes Based on a Pentadentate Schiff Base Ligand
Authors: Yang Feng‐Lei , Shao Feng , Zhu Guang‐Zhou , Shi Yan‐Hui , Gao Feng , Li Xiu‐Ling
Published: January 2017

]have been synthesized, structurally characterized and magnetically studied. X‐ray diffraction analyses indicated that the potentially pentadentate symmetric ligand affords variable coordination conformations. The copper ions are bound into hexameric moieties with helix‐like arrangement whereas cobalts with four face‐sharing monovacant distorted cubanes. Magnetic investigations revealed that within the hexanuclear unit, compound 1 exhibits antiferromagnetic interactions with the best fit parameters of J1=‐17.96 cm−1, J2=‐22.26 cm−1, zJ=‐0.56 cm−1 and R=1.1 × 10−5, while compound 2 affords ferromagnetic intramolecular couplings with the best simulation parameters of J1=+0.10 cm−1; J2=+0.15 cm−1; Jx=Jy =0.1 cm−1; Jz=0.02 cm−1; D1=‐0.50; D2=‐0.45; g1=2.67; g2=2.57. Furthermore, the compound 2 displays slow magnetic relaxation behaviour detected by ac magnetic measurement under a 600 Oe field.
Antibacterial Nanoparticles Based on Fluorescent 3‐Substituted Uridine Analogue
Authors: Reddy E. Ramanjaneya , Yaseen Abdul M , Rizvi Arshad , Deora Girdhar S. , Banerjee Sharmistha , Sevilimedu Aarti , Rajadurai Marina
Published: January 2017

With a sudden and rapid increase in the spread of antimicrobial resistance, there is an urgent need for the development of novel antimicrobial therapies. Nanoparticles with antimicrobial activity provide advantages such as improved solubility, permeability, stability and selectivity. In this study, a uridine‐scaffold was connected to a pyrene fluorescent unit to obtain novel compound UPy via an economical and straightforward route. Further, fluorescent organic nanoparticles (FONs) were prepared via self assembly of UPy and were found to have antibacterial activity towards Gram positive bacteria. The fluorescent nature of the FONs allowed us to identify a binding partner and propose mechanism of action in vivo. We believe that UPy can be an excellent starting point for the development of novel, potent and selective antimicrobial nanotherapeutics.
Carbohydrate Tethered Cyanostilbene Fluorogen: Unique Emission and Preferential Protein Binding
Authors: Vasu Anuji K , Paramasivam Mahalingavelar , Kanvah Sriram
Published: January 2017

A simple and efficient construction of a water‐soluble glycoconjugate bearing a cyanostilbene with glucose pendant and its interaction with proteins is reported. The absorption and fluorescence behavior of this glycoconjugate was investigated in organic solvents, binary‐solvent mixtures, water and in the presence of proteins, concanavalin A, bovine serum albumin (BSA) and human serum albumin (HSA). With increase in the solvent polarity, the synthesized derivative exhibited emission quenching but in dioxane‐pentane binary mixture, a significant red‐shifted emission with substantial Stokes’ shift was observed. This emission response is attributed to the formation of aggregates and the results were substantiated by scanning electron microscopy (SEM) and dynamic light scattering (DLS) analysis. In the presence of proteins, the fluorophore exhibits moderate binding efficiency and shows synergistic interactions with a combination of hydrophobic and hydrophilic interactions. Circular Dichroism (CD) studies with protein and the fluorophore reveals changes in ellipticity confirming the binding of the fluorophore within the protein domains.
Complexation of Titana‐ and Zirconadihydrofuran Metallacycles with Organoaluminium Compounds and Catalytic Activity of the Resulting Complexes in Polymerization of ϵ‐Caprolactone
Authors: Burlakov Vladimir V. , Bogdanov Vyacheslav S. , Sokolova Olga O. , Arndt Perdita , Spannenberg Anke , Kh. Minacheva Mariya , Lyssenko Konstantin A. , Anan'ev Iwan A. , Rosenthal Uwe , Shur Vladimir B.
Published: January 2017

The interaction of the titanadihydrofuran metallacycles Cp2Ti[η2‐C(SiMe3)=C(Ph)‐C(Me)2O] (1) and Cp2Ti[η2‐C(SiMe3)= C(Ph)‐CH(Ph)O] (2) with iBu2AlH in n‐hexane at 20°C yields 1 : 1 complexes Cp2Ti[η2‐C(SiMe3)=C(Ph)‐C(Me)2O](iBu2AlH) (4) and Cp2Ti[η2‐C(SiMe3)=C(Ph)‐CH(Ph)O](iBu2AlH) (5) respectively. According to X‐ray diffraction data, the iBu2AlH molecule in 4 is coordinated by its aluminium centre with the oxygen atom whereas the hydride hydrogen atom of the iBu2AlH forms a bridge with the titanium. As a result of the complexation with iBu2AlH, the Ti−O and Ti‐C(SiMe3) bonds of the starting 1 are strongly elongated. An analogous 1 : 1 adduct (11) is formed in the interaction of iBu2AlH with the zirconadihydrofuran derivative Cp2Zr[η2‐C(SiMe3)=C(SiMe3)‐C(Me)2O] (3). Like the Ti−O and Ti‐C(SiMe3) bonds in 1, the Zr−O and Zr‐C(SiMe3) bonds in 3 are considerably elongated as a result of the coordination with iBu2AlH. The reaction of 1 with EtAlCl2 gives a complex, Cp2Ti[η2‐C(SiMe3)=C(Ph)‐C(Me)2O](EtAlCl2) (8), in which the organoaluminium compound is also coordinated by its aluminium centre with the oxygen atom. This leads to a strong elongation of the Ti−O bond. The C−O bond of the metallacycle in 8 is noticeably elongated as well but the Ti‐C(SiMe3) bond length even somewhat shortens. Complexes 4, 5, 8 and 11 are capable of catalysing ring‐opening polymerization of ϵ‐caprolactone. The highest activity is exhibited by complexes 4 and 5.
Dipole‐Driven Self‐Organization of Liquid‐Crystalline N‐Heteroacene Derivatives Showing Redox‐Properties
Authors: Isoda Kyosuke , Kawamoto Ippei , Seki Atsushi , Funahashi Masahiro , Tadokoro Makoto
Published: January 2017

We report an introduction of halogen atoms to liquid‐crystalline (LC) TANC derivatives to tune their electronic characters as well as the charge polarization on π‐conjugated N‐heteroacene framework. The electronegative Cl atoms can improve the electron‐accepting property of LC TANC. Also, the induced charge polarization due to the substitution of Cl atoms generates an intrinsic dipole moment on π‐conjugated N‐heteroacene framework, which is able to serve as a driving force for stabilizing self‐organization of N‐heteroacene molecules in thin films.
Towards the Synthesis of New Tumor Targeting Photosensitizers for Photodynamic Therapy and Imaging Applications
Authors: Mion Giuliana , Mari Cristina , Da Ros Tatiana , Rubbiani Riccardo , Gasser Gilles , Gianferrara Teresa
Published: January 2017

Targeting peptides are very promising molecules to increase tumor selectivity of anticancer drugs. Herein, we report the synthesis of three complexes, which might act at the same time as photosensitizers (PSs) for cancer photodynamic therapy (PDT), as delivery systems of Re(I)/99mTc(I) fragments into tumor cells as well as targeting agents for prostate cancer cells. To this aim, we designed a structure containing a PS such as a water soluble +3‐charged tris‐methylpyridinium porphyrin or a fulleropyrrolidine derivative, a [1,4,7]‐triazacyclononane (TACN) chelator suitable for coordination, and a bombesin BN[7‐14] as a targeting peptide. Their syntheses were performed using two different approaches: the first one was based on a Cu(I)‐catalyzed azide‐alkyne cycloaddition (CuAAC, “click reaction”) in solution, that led to compound 1, and the second one based on coupling reactions on the solid phase, that led to compounds 2 and 3. We could successfully prepare molecules bearing tumor‐targeting PSs and which are suitable for imaging applications. Overall, this work paves the way for the synthesis of theranostic complexes although the yields will need to be seriously improved and the synthetic process optimized.
Fabrication and Super Capacitive Performance of Nanoporous Nickel Oxide Film
Authors: Dai Siyue , Bai Xiang , Wang Xinglei , Yan Xiuling
Published: January 2017

In order to improve the whole performance of a single kinds of materials, the nanoporous nickel (NPN) oxide film was fabricated by the method of interfacial electroless plating. The nickel (Ni) was deposited on the surface of the substrate in three dimensional nanoporous structure, and then the surface layer of Ni is converted into nickel oxide (NiO) after exposure to oxygen in the air. The as‐prepared nickel oxide material not only maintains the porous structure of the substrate, but also increases the specific surface area of the material and improves the conductivity, thereby significantly improving the electrochemical capacitance performance of the material which characterized by X‐ray diffraction (XRD), scanning electron microscope (SEM) and energy dispersive X‐ray spectrometer (EDS). The mass specific capacitance is 387 F g−1 and volumetric specific capacitance is 964 F cm−3. Therefore, the porous nickel oxide film is an electrode material with great potential for super capacitors.
Edge States and Topological Phase Transitions in Chains of Dielectric Nanoparticles
Authors: Kruk Sergey , Slobozhanyuk Alexey , Denkova Denitza , Poddubny Alexander , Kravchenko Ivan , Miroshnichenko Andrey , Neshev Dragomir , Kivshar Yuri
Published: January 2017

Recently introduced field of topological photonics aims to explore the concepts of topological insulators for novel phenomena in optics. Here polymeric chains of subwavelength silicon nanodisks are studied and it is demonstrated that these chains can support two types of topological edge modes based on magnetic and electric Mie resonances, and their topological properties are fully dictated by the spatial arrangement of the nanoparticles in the chain. It is observed experimentally and described how theoretically topological phase transitions at the nanoscale define a change from trivial to nontrivial topological states when the edge mode is excited.
Windbeanspruchung von Hochspannungs‐Freileitungsseilen in Naturmessungen, Zeitbereichssimulation und Norm
Authors: Stengel Dominik , Mehdianpour Milad
Published: January 2017

Die Beanspruchung von Freileitungen erfolgt hauptsächlich durch Naturlasten. Dabei spielt für die bemessungsbestimmenden Lastfälle häufig der Wind eine entscheidende Rolle. Die Leiter, die mehrere hundert Meter weit spannen, tragen einen wesentlichen Anteil zur Gesamtbeanspruchung von Tragmasten bei, die wiederum Eigengewicht und Windlasten der Leiter zwischen zwei Abspannmasten abtragen. Wenn die Reaktion der Seile auf Starkwindereignisse abgeschätzt werden soll, müssen sowohl geometrische Nichtlinearitäten durch die großen Verformungen wie auch aerodynamische Nichtlinearitäten berücksichtigt werden. Insbesondere für die Anwendung und Berücksichtigung in Bemessungsvorschriften werden hierfür Vereinfachungen vorgenommen. In diesem Beitrag wird eine umfassende Untersuchung vorgestellt, über Naturmessungen, FEM‐Simulationen kombiniert mit Windkanalversuchen und generierten Windzeitreihen. Ziel ist es, existierende Bemessungsvorschriften im Hinblick auf die Abschätzung der Beanspruchung aus Wind auf Leiter zu validieren. Hierbei sind insbesondere die Turbulenzannahmen und das dynamische Verhalten von weitgespannten Leitern wichtig, um die Extremschnittgrößen zu beschreiben. Mithilfe von so genannten Spannweitenfaktoren sollen die relevanten Parameter, wie Spannweite und Windturbulenz, bei der Beanspruchungsabschätzung berücksichtigt werden.
Zum Ermüdungsverhalten von X‐Knoten aus quadratischen Hohlprofilen
Authors: Bucak Ömer , Rodic Slobodan , Engelhard (geb. Weich) Imke , Ehard Heinrich
Published: January 2017

Im Jahr 1984 wurden die ersten ausgearbeiteten Vorschläge zur Kerbfalleinteilung geschweißter X‐Knoten aus Rechteckhohlprofilen (RHP) von Mang und Bucak ([8], [9]) dem Normengremium der DIN EN 1993‐1‐9 [1] vorgelegt. Diese Normvorschläge basierten auf umfangreichen versuchstechnischen Untersuchungen und berücksichtigten die Ermüdungsfestigkeit geschweißter X Knoten in Abhängigkeit der vorhandenen Breiten‐ (b/bo) und Wanddickenverhältnisse (to/t). Da zu diesem Zeitpunkt der Umfang der Eurocode 3‐Regelungen nicht vergrößert werden sollte, wurden die ausgearbeiteten Normvorschläge nicht aufgenommen.

In der aktuellen Fassung der DIN EN 1993‐1‐9 [1], dem IIW‐Dokument [2] sowie der FKM‐Richtlinie [4] sind zur Kerbfalleinteilung geschweißter X‐Knoten aus RHP keine Vorgaben nach dem Nennspannungskonzept enthalten. Die Kranbaunorm DIN EN 13001‐3‐1 [3] macht zu dieser Thematik zwar Vorgaben, diese sind allerdings äußerst konservativ gehalten. Der CIDECT Design Guide Nr. 8 [12] enthält für die Bemessung geschweißter Hohlprofilkonstruktionen in Form von T‐ bzw. X‐Knoten nach dem Nennspannungskonzept keine Angaben. In [12] sind allerdings ausführliche Angaben in Form von Bemessungsformeln und ‐diagrammen zur Ermittlung der Spannungen (SCF) und Dehnungen (SNCF) sowie Bemessungs‐Wöhlerlinien für geschweißte Rund‐ und Rechteckhohlprofilkonstruktionen nach dem Strukturspannungskonzept enthalten.

Auf ausdrücklichen Wunsch industrieller Forschungspartner wurden in den vergangenen Jahren im Labor für Stahl‐ und Leichtmetallbau der Hochschule München in direkter Zusammenarbeit mit der Labor für Stahl‐ und Leichtmetallbau GmbH, Kissing, im Rahmen eines AIF‐ Forschungsprogramms [13] weiterführende Untersuchungen zum Ermüdungsverhalten von X‐Knoten aus RHP durchgeführt, auf deren Basis eine Überprüfung sowie Erweiterung des damaligen Normungsvorschlags von Bucak und Mang ([8], [9]) erfolgte. Hierbei wurde neben der Berücksichtigung weiterer geometrischer Parameter (speziell Wanddickenverhältnis to/t ≥ 2,0) auch die Anwendbarkeit der vorgeschlagenen Kerbfall einteilungen ([8], [9]) bei einer Verwendung moderner Stahlrohrgüten und aktueller, prozesssicherer Schweißverfahren überprüft und ggf. angepasst. Im folgenden Beitrag werden hierzu neu ausgearbeitete Normungsvorschläge auf Basis aktueller und umfangreicher versuchstechnischer Untersuchungen vorgestellt.
Die Containerverbindung für die neue indische Antarktis‐Forschungsstation
Authors: Brunn Benjamin , Nitschke Andreas , Bederke Christian
Published: January 2017

Bharati, die neue indische Antarktis‐Forschungsstation, besteht aus einer selbsttragenden Konstruktion aus maßgeschneiderten ISO‐Schiffscontainern. Bis zu acht ISO‐Containereckbeschläge per Knoten wurden räumlich miteinander verbunden, wodurch ein mehrgeschossiges Gebäude entstand, dessen Gebäudeaussteifung ausschließlich durch die Container gegeben ist. Die dafür erforderlichen Containerverbindungen sind der Schlüssel zu einem effizienten Tragwerk und bestehen aus einfachen Teilen: Schrauben, Schubblocks, Verankerungsblocks, Stapelkonen und Gewindestangen. Das Zusammenspiel dieser Einzelteile ermöglicht Kraftübertragung in alle Richtung, indem sie in die Öffnungen der ISO Containereckbeschläge eingebaut werden. Die Teile lassen sich einfach von Hand mit einem Schraubenschlüssel einbauen. Die effektive Verwendung von Containern führte nicht nur zu geringerem Baumaterialverbrauch, sondern auch zu einem geringeren Ausstoß von Kohlendioxid während des Transports in die Antarktis. Darüber hinaus reduziert die neue Containerverbindung durch die gute Ausnutzung des Raumes innerhalb der Fassadenhülle sogar die Betriebskosten auf Lebenszeit des Gebäudes.
Über große Dächer – „Die fünfte Ansicht”
Authors: Möller Eberhard
Published: January 2017

Das Oskar von Miller Forum in München zeigte von Ende Oktober bis Ende November 2016 in Kooperation mit dem M:AI Museum für Architektur und Ingenieurkunst NRW eine Ausstellung über Gewölbe, Schalen, Kuppeln und Dächer – und über ihre Inge nieure! Viel zu kurz blitzte für ein breites Publikum im Foyer des Forums der Bayerischen Bauwirtschaft auf, was vielleicht zum Grundwissen kultivierter Ingenieure zählt: In Texten, Plänen, Fotos, Modellen und Videos präsentierten die Kuratoren mehr als 30 ikonographische Dachtragwerke aus zwei Jahrtausenden – Meilensteine der Ingenieurbaukunst vom Pantheon in Rom bis zum Metropol Parasol in Sevilla, von den Münchner Olympia dächern bis zur Berliner Reichstagskuppel, vom Londoner Kristallpalast über Sydneys Opernhaus bis zum New Bangkok International Airport.
Re: Endothelial dysfunction and vascular stiffness in women with previous pregnancy complicated by early or late pre‐eclampsia. R. Orabona, E. Sciatti, E. Vizzardi, I. Bonadei and A. Valcamonico. Ultrasound Obstet Gynecol 2017; 49: 116–123.
Authors: Morris E. A. , Bernstein I. M.
Published: January 2017

Linked Comment: Ultrasound Obstet Gynecol 2017; 49: 116–123