bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Amphiphilic BODIPY‐Porphyrin Conjugate: Intense Two‐Photon Absorption and Rapid Cellular Uptake for Two‐Photon‐Induced Imaging and Photodynamic Therapy
Authors: Zhang Tao , Lan Rongfeng , Gong Longlong , Wu Baoyan , Wang Yuzhi , Kwong Daniel W. J. , Wong Wai‐Kwok , Wong Ka‐Leung , Xing Da 
Published: September 2015

AbstractThe new amphiphilic BODPY‐porphyrin conjugate BZnPP and its precursor BZnPH were synthesised, and their linear and two‐photon photophysical properties, together with their cellular uptake and photo‐cytotoxicity, were studied. This amphiphilic conjugate consists of a hydrophobic BODIPY moiety and a hydrophilic tetra(ethylene glycol) chain bridging a cationic triphenylphosphonium group to an amphiphilic porphyrin ZnP through acetylide linkers at its meso positions. A large two‐photon absorption cross‐section (σ=1725 GM) and a high singlet oxygen quantum yield (0.52) were recorded. Intense linear‐ and two‐photon‐induced red emissions were also observed for both BZnPP and BZnPH. Further in vitro studies showed that BZnPP exhibited very efficient cellular uptake and strong photocytotoxic but weak dark cytotoxic properties towards human breast carcinoma MCF‐7 cells. In summary, the two‐photon‐induced emission and the potent photo‐cytotoxicity of BZnPP make it an efficacious dual‐purpose tumour‐imaging and photodynamic therapeutic agent in the tissue‐transparent spectral windows.
Structural Modification of Ni/γ‐Al2O3 with Boron for Enhanced Carbon Resistance during CO Methanation
Authors: Kambolis Anastasios , Ferri Davide , Lu Ye , Yannopoulos Spyros N. , Pokrant Simone , Rentsch Daniel , Kröcher Oliver 
Published: September 2015

AbstractCarbon deposition during CO methanation from biomass‐derived gas is a significant challenge in terms of catalyst lifetime. It results from the severe reaction conditions imposed by the presence of unsaturated hydrocarbons in the gasified feedstock. This work investigated the structure of boron‐modified Ni/Al2O3 catalysts exhibiting enhanced carbon resistance. As a consequence of B promoting the growth of Ni crystallites, the structure of the B‐modified catalyst was demonstrated to be different at the nanoscale, especially after calcination. The modified catalyst possesses larger Ni particles with porous regions in which B is present. The absence of carbidic and amorphous carbon species, which are considered critical for catalyst deactivation in low‐temperature processes, confirms that B effectively prevents carbon diffusion into Ni, which thus enhances the durability of the catalyst for CO methanation. These results may reveal a strategy of wider significance for developing catalysts with improved stability.
Wet‐Spun Bioelectronic Fibers of Imbricated Enzymes and Carbon Nanotubes for Efficient Microelectrodes
Authors: Mateo‐Mateo Cintia , Michardière Anne‐Sophie , Gounel Sébastien , Ly Isabelle , Rouhana Jad , Poulin Philippe , Mano Nicolas 
Published: September 2015

AbstractThe electrical connection of enzymes and microelectrodes is usually achieved through the direct deposition of biomolecules at the electrode surface. Optimization of this interface can be achieved by using conductive nanomaterials such as carbon nanotubes, by adding shuttles of electrons, and/or by tuning the geometry of the electrode. However, immobilized enzymes remain essentially located at the outer surface of the electrode, thereby limiting the current density of the devices. A single‐step, scalable wet‐spinning approach that allows the fabrication of microfibers into which enzymes and carbon nanotubes are imbricated in the core of the fiber is reported in this work. The efficiency of these bioelectronics fibers is tested in the enzymatic reduction of O2 and glucose oxidation. The presented microelectrodes exhibit a significantly enhanced activity compared to surface‐coated microelectrodes, while preserving all of the advantages of microelectrodes in terms of miniaturization and spatiotemporal resolution.
Ultrafast Spectroscopy of Hydroxy‐Substituted Azobenzenes in Water
Authors: Steinwand Sabrina , Halbritter Thomas , Rastädter Dominique , Ortiz‐Sánchez Juan Manuel , Burghardt Irene , Heckel Alexander , Wachtveitl Josef 
Published: September 2015

AbstractUltrafast UV/Vis pump/probe experiments on ortho‐, meta‐ and para‐hydroxy‐substituted azobenzenes (HO‐ABs), as well as for sulfasalazine, an AB‐based drug, were performed in aqueous solution. For meta‐HO‐AB, AB‐like isomerisation behaviour can be observed, whereas, for ortho‐HO‐AB, fast proton transfer occurs, resulting in an excited keto species. For para‐HO‐AB, considerable keto/enol tautomerism proceeds in the ground state, so after excitation the trans‐keto species isomerises into the cis form. Aided by TD‐DFT calculations, insight is provided into different deactivation pathways for HO‐AB, and reveals the role of hydroxy groups in the photochemistry of ABs, as well as their acetylation regarding sulfasalazine. Hydroxy groups are position‐specific substituents for AB, which allow tuning of the timescale of thermal relaxation, as well as the amount and contribution of the keto species to photochemical processes.
Spacer‐Modulated Differentiation Between Self‐Assembly and Folding Pathways for Bichromophoric Merocyanine Dyes
Authors: Zitzler‐Kunkel André , Kirchner Eva , Bialas David , Simon Christian , Würthner Frank 
Published: September 2015

AbstractWe have synthesized a large series of bis(merocyanine) dyes with varying spacer unit and investigated in detail their self‐organization behavior by concentration‐ as well as solvent‐dependent UV/Vis spectroscopy. Our in‐depth studies have shown that the self‐organization of the present bis(merocyanine) dyes is subtly influenced by the nature of the spacer unit. The utilization of rigid spacers results in the formation of self‐associated bimolecular complexes with high binding strength, while flexible spacers drive the respective bichromophoric dyes to intramolecular folding. Our thorough investigations on the impact of alkyl spacer chain length on the folding tendency of the present series of bis(merocyanine) dyes revealed a biphasic behavior, that is, a steep increase of the folding tendency for the dyes containing C4 to C7 chains and then a gentle decrease for dyes with longer alkyl spacer chains as evidenced by free energy (ΔG) values for the folding of these dyes. Furthermore, analyses of aggregates’ optical properties based on exciton theory as well as quantum chemical calculations suggest a bimolecular aggregate structure for the dye possessing a rigid spacer and a rotationally twisted pleated structure for the bis(merocyanine) dyes having spacer units with less than seven carbon atoms, while the application of longer alkyl chain linkers (≥C7) provides enough flexibility to orient the chromophores in electrostatically most favored antiparallel fashion.
Metal‐Induced Thiophene Ring Opening and CC Bond Formation To Produce Unique Hexa‐1,3,5‐trienediyl‐Coupled Non‐Innocent Ligand Chelates
Authors: Ehret Fabian , Bubrin Martina , Záliš Stanislav , Priego José Luis , Jiménez‐Aparicio Reyes , Kaim Wolfgang 
Published: September 2015

AbstractRing opening of thiophenes containing an azo function in 2‐position and subsequent dimerization through CC coupling were observed on reaction with [Ru(acac)2(CH3CN)2] (acac=acetylacetonate) to produce two 1,3,5‐hexatriene‐linked redox‐active azothiocarbonyl chelate systems. Interaction of the non‐innocent chelate ligands and of the metals at a nanoscale distance of 1.45 nm via the conjugated hexatriene bridge was studied by magnetic and electron spectroscopic measurements in conjunction with DFT calculations, revealing four‐center magnetic interactions of this unique setting and weak intervalence coupling after reduction.
Standort‐ und Netzwerkplanung für modulare Containeranlagen in der Prozessindustrie
Authors: Clausen Uwe , Langkau Sven , Goedicke Ina , Lier Stefan 
Published: September 2015

AbstractDer Einsatz mobiler Produktionseinheiten ermöglicht die Produktion in Kunden‐ oder Rohstoffnähe. In Abhängigkeit von den Bedarfen der einzelnen Kunden und deren geografischer Verteilung sind die Standorte zu ermitteln, an denen sich das Aufstellen und der Betrieb der mobilen Produktionseinheiten unter wirtschaftlichen und qualitativen Bewertungskriterien lohnt. Es wird ein entsprechendes Verfahren zur Entwicklung modularer Produktionsnetzwerke vorgestellt und dessen Anwendung anhand einer Fallstudie validiert.
How do you write and present research well? 2 –Replace 007 with an explicit agent
Authors: Patience Paul A. , Patience Gregory S. , Boffito Daria C. 
Published: September 2015

Abstract
Passive voice, active voice, agent and patient, subject and object: the agent acts on the patient in the active voice, which makes it clearer. Select the best active sentence.[11]

We measured the pressure periodically.
The pressure was measured periodically.
It was shown that the pressure varied periodically.
Pressure varied periodically.
Investigation of the Qx–Qy Equilibrium in a Metal‐Free Phthalocyanine
Authors: Baeten Yannick , Fron Eduard , Ruzié Christian , Geerts Yves Henri , Van Der Auweraer Mark 
Published: September 2015

AbstractPhthalocyanines (Pcs) have attracted a lot of interest as small molecules for organic electronics. However, some excited‐state properties of metal‐free phthalocyanines, as for example, the dynamics of the transition between the nondegenerate Qx and Qy states in a metal‐free phthalocyanine, have not been fully established. This effect results in a blue‐shifted shoulder with low intensity in the Pc fluorescence spectrum. This shoulder was suggested to be related to emission from the more energetic Qy state. By using ultrafast femtosecond transient absorption, we have found a clear equilibrium between the Qx and Qy state of metal‐free phthalocyanines in solution.
On the Origin of Water Flow through Carbon Nanotubes
Authors: Su Jiaye , Yang Keda 
Published: September 2015

AbstractThe transport of water molecules through carbon nanotubes (CNTs) is of primary importance for understanding water‐mediated biological activities as well as for the design of novel nanoporous materials. Herein, we analyze the water flow through CNTs by using molecular dynamics simulations with the hope of finding basic parameters determining the flow value. Of particular interest is that a simple equation as a function of water diffusion, occupancy and CNT size, can well describe the water flow through CNTs with different sizes. Specifically, both the simulation and equation flow exhibit power law relations with the CNT diameter and length, where the two exponents are close to each other. The water occupancy and translocation time also demonstrate interesting relations with the CNT size. The water dipole orientations and density profiles are also sensitive to the change of CNT size. These results greatly enhance our knowledge on the nature of water flow through CNTs and are helpful in predicting the water flow of CNTs up to the experimental length scale.
Electroviscous Effects in Ceramic Nanofiltration Membranes
Authors: Farsi Ali , Boffa Vittorio , Christensen Morten Lykkegaard 
Published: September 2015

AbstractMembrane permeability and salt rejection of a γ‐alumina nanofiltration membrane were studied and modeled for different salt solutions. Salt rejection was predicted by using the Donnan‐steric pore model, in which the extended Nernst–Planck equation was applied to predict ion transport through the pores. The solvent flux was modeled by using the Hagen–Poiseuille equation by introducing electroviscosity instead of bulk viscosity. γ‐Alumina particles were used for ζ‐potential measurements. The ζ‐potential measurements show that monovalent ions did not adsorb on the γ‐alumina surface, whereas divalent ions were highly adsorbed. Thus, for divalent ions, the model was modified, owing to pore shrinkage caused by ion adsorption. The ζ‐potential lowered the membrane permeability, especially for membranes with a pore radius lower than 3 nm, a ζ‐potential higher than 20 mV, and an ionic strength lower than 0.01 m. The rejection model showed that, for a pore radius lower than 3 nm and for solutions with ionic strengths lower than 0.01 m, there is an optimum ζ‐potential for rejection, because of the concurrent effects of electromigration and convection. Hence, the model can be used as a prediction tool to optimize membrane perm‐selectivity by designing a specific pore size and surface charge for application at specific ionic strengths and pH levels.
Spatiotemporal microbial single‐cell analysis using a high‐throughput microfluidics cultivation platform
Authors: Grünberger Alexander , Probst Christopher , Helfrich Stefan , Nanda Arun , Stute Birgit , Wiechert Wolfgang , von Lieres Eric , Nöh Katharina , Frunzke Julia , Kohlheyer Dietrich 
Published: September 2015

AbstractCell‐to‐cell heterogeneity typically evolves due to a manifold of biological and environmental factors and special phenotypes are often relevant for the fate of the whole population but challenging to detect during conventional analysis. We demonstrate a microfluidic single‐cell cultivation platform that incorporates several hundred growth chambers, in which isogenic bacteria microcolonies growing in cell monolayers are tracked by automated time‐lapse microscopy with spatiotemporal resolution. The device was not explicitly developed for a specific organism, but has a very generic configuration suitable for various different microbial organisms. In the present study, we analyzed Corynebacterium glutamicum microcolonies, thereby generating complete lineage trees and detailed single‐cell data on division behavior and morphology in order to demonstrate the platform's overall capabilities. Furthermore, the occurrence of spontaneously induced stress in individual C. glutamicum cells was investigated by analyzing strains with genetically encoded reporter systems and optically visualizing SOS response. The experiments revealed spontaneous SOS induction in the absence of any external trigger comparable to results obtained by flow cytometry (FC) analyzing cell samples from conventional shake flask cultivation. Our microfluidic setup delivers detailed single‐cell data with spatial and temporal resolution; complementary information to conventional FC results. © 2015 International Society for Advancement of Cytometry
Intracellular flow cytometry may be combined with good quality and high sensitivity RT‐qPCR analysis
Authors: Sandstedt Mikael , Jonsson Marianne , Asp Julia , Dellgren Göran , Lindahl Anders , Jeppsson Anders , Sandstedt Joakim 
Published: September 2015

AbstractFlow cytometry (FCM) has become a well‐established method for analysis of both intracellular and cell‐surface proteins, while quantitative RT‐PCR (RT‐qPCR) is used to determine gene expression with high sensitivity and specificity. Combining these two methods would be of great value. The effects of intracellular staining on RNA integrity and RT‐qPCR sensitivity and quality have not, however, been fully examined. We, therefore, intended to assess these effects further. Cells from the human lung cancer cell line A549 were fixed, permeabilized and sorted by FCM. Sorted cells were analyzed using RT‐qPCR. RNA integrity was determined by RNA quality indicator analysis. A549 cells were then mixed with cells of the mouse cardiomyocyte cell line HL‐1. A549 cells were identified by the cell surface marker ABCG2, while HL‐1 cells were identified by intracellular cTnT. Cells were sorted and analyzed by RT‐qPCR. Finally, cell cultures from human atrial biopsies were used to evaluate the effects of fixation and permeabilization on RT‐qPCR analysis of nonimmortalized cells stored prior to analysis by FCM. A large amount of RNA could be extracted even when cells had been fixed and permeabilized. Permeabilization resulted in increased RNA degradation and a moderate decrease in RT‐qPCR sensitivity. Gene expression levels were also affected to a moderate extent. Sorted populations from the mixed A549 and HL‐1 cell samples showed gene expression patterns that corresponded to FCM data. When samples were stored before FCM sorting, the RT‐qPCR analysis could still be performed with high sensitivity and quality. In summary, our results show that intracellular FCM may be performed with only minor impairment of the RT‐qPCR sensitivity and quality when analyzing sorted cells; however, these effects should be considered when comparing RT‐qPCR data of not fixed samples with those of fixed and permeabilized samples. © 2015 International Society for Advancement of Cytometry
Data Location Optimization for Improvement of Tiered Storage Performance
Authors: HAYASHI SHINICHI , KOMODA NORIHISA 
Published: September 2015

SUMMARYWe propose a new method for tiered storage and evaluate its characteristics. In this method, the fast tier is divided into two areas and the data in each area are managed on the basis of two I/O (input/output) measurement periods. When I/Os to these areas increase, the proposed method allocates the frequently accessed areas to a fast tier in advance, thereby improving storage I/O performance. We evaluate the proposed method by simulating storage I/Os and data migration between tiers. When I/O locality is high or frequently accessed areas rarely move, the proposed method is more effective and improves storage I/O performance by up to 44%.
Calculation of Whole‐Body Average SARs in Pregnant Woman and Child Simultaneously Exposed to Multiple Radio‐Frequency Waves in Real Environment
Authors: ASAYAMA RYOTA , WANG JIANQING , FUJIWARA OSAMU 
Published: September 2015

SUMMARYThere are few published papers on the whole‐body average specific absorption rates (WBA‐SARs) in humans for simultaneous exposure to multiple radio frequencies (RFs). In order to evaluate human safety of radiowaves in real environments, in this paper we calculate the WBA‐SARs in models of a pregnant woman and 3‐year‐old child for multiple RF exposure, using measured results on electric field intensities from multiple base station antennas installed for cellular phones with four different radiowave frequencies in an underground shopping mall and with five radiowave frequencies in the neighborhood of an elementary school. The Japan Ministry of Internal Affairs and Communications officially reported these data in 2008. Statistical analyses show that the squared sum ratio of the measured electric field to the corresponding Japanese guideline for the general public is smaller than one‐hundredth and one‐thousand at most in the underground shopping mall and elementary school areas, respectively. As a result, we found that the WBA‐SARs in the pregnant woman and 3‐year‐old child models calculated at each of the frequencies for base station antennas in both areas are significantly lower than the The International Commission on Non‐Ionizing Radiation Protection (ICNIRP) basic restriction (0.08 W/kg) for the general public, and that the sum of the WBA‐SARs never exceeds one‐hundredth of 0.08 W/kg for simultaneous exposure to multiple RF.
Analysis of Offshore Software Development by Process Growth Visualization
Authors: ICHINOTSUBO TAKEO , NAKAMURA YU , SAGA RYOSUKE , TSUJI HIROSHI 
Published: September 2015

SUMMARYTo create criteria for the activities involved in offshore software development, this paper proposes a method to visualize the status of an organization. The basic premises in this research are that there are 12 capabilities and each capability has five levels. First, this paper introduces a knowledge management system called SPICE, which has a visualization function. The function includes the growth path of an individual, the growth path of a group, and a dependency structure. Then, to explain the use of method in the realm of offshore software development, this paper describes an experimental analysis and the accompanying visualization. The future possibilities of the method are also examined in detail.
Analysis of TV Viewing Modes Based on Stress Coping Style
Authors: WATANUKI TAKUYA , NOZAWA AKIO 
Published: September 2015

SUMMARYIn this research, based on the stress coping style as expressed by hemodynamic parameters, we evaluated the modes of television viewing with the aim of estimating different modes of watching television. The central nervous system was assessed by means of electroencephalograms (EEG). The autonomic nervous system was assessed using the nasal skin temperature (NST) and the heart rate variability (HRV) with spectral analysis. In the spectral analysis of the HRV, the high‐frequency components (HF) were evaluated. The cardiovascular system was assessed using the mean pressure (MP), the heart rate (HR), the stroke volume (SV), the cardiac output (CO), and the total peripheral resistance (TPR). The multiple mood scale (MMS) and visual analog scale (VAS) were administered to evaluate psychological status. It was found that modes of television viewing could not be distinguished using only the television content preference. It became clear that the modes of television viewing could be distinguished on the basis of the stress coping style using hemodynamic parameters.
[NaCu(2,4‐HPdc)(2,4‐Pdc)] Mixed Metal–Organic Framework as a Heterogeneous Catalyst
Authors: Larrea Edurne S. , Fernández de Luis Roberto , Orive Joseba , Iglesias Marta , Arriortua María I. 
Published: September 2015

AbstractThe synthesis of a new mixed metal–organic framework (M′MOF) has been accomplished by the metalloligand approach. [NaCu(2,4‐HPdc)(2,4‐Pdc)] (2,4‐H2Pdc = pyridine‐2,4‐dicarboxylic acid) has been obtained from the hydrothermal reaction of the metalloligand [Cu(2,4‐HPdc)2(H2O)2] NaOH, and a transition metal salt. [NaCu(2,4‐HPdc)(2,4‐Pdc)] is isostructural to [CuMn(2,4‐Pdc)2] and crystallizes in the triclinic space group P$\bar {1}$. The 3D structure is built up from [Cu(2,4‐HPdc)2(H2O)2] metalloligands and [NaO6] octahedra in a pcu α‐Po‐like uninodal six‐connected net. The compound is stable to 290 °C, and its crystal structure undergoes a 3 % volume expansion between room temperature and thermal decomposition. The unsaturated CuII centers at the surface act as a heterogeneous Lewis acid catalyst for the cyanosilylation of aldehydes and Knoevenagel C–C bond‐forming reactions. The catalytic activity has been compared with those of other copper(II) porous metal–organic frameworks such as HKUST‐1 and MOF‐74.
Mechanism of CO2 Fixation by IrI–X Bonds (X = OH, OR, N, C)
Authors: Vummaleti Sai Vikrama Chaitanya , Talarico Giovanni , Nolan Steven P. , Cavallo Luigi , Poater Albert 
Published: September 2015

AbstractDensity functional theory calculations have been used to investigate the CO2 fixation mechanism proposed by Nolan et al. for the IrI complex [Ir(cod)(IiPr)(OH)] (1; cod = 1,5‐cyclooctadiene; IiPr = 1,3‐diisopropylimidazol‐2‐ylidene) and its derivatives. For 1, our results suggest that CO2 insertion is the rate‐limiting step rather than the dimerization step. Additionally, in agreement with the experimental results, our results show that CO2 insertion into the Ir–OR1 (R1 = H, methyl, and phenyl) and Ir–N bonds is kinetically facile, and the calculated activation energies span a range of only 12.0–23.0 kcal/mol. Substantially higher values (35.0–50.0 kcal/mol) are reported for analogous Ir–C bonds.