bluuebunny/crossref_metadata_2025_split huggingface dataset:
Poly(propylene‐co‐ethylene) produced with a conventional and a self‐supported ziegler–natta catalyst: Effect of ethylene and hydrogen concentration on activity and polymer structure
Authors: Vestberg Torvald , Parkinson Matthew , Fonseca Isa , Wilén Carl‐Eric 
Published: December 2011

AbstractA novel self‐supported emulsion‐based catalyst and a conventional MgCl2‐supported Ziegler–Natta catalyst were used in the copolymerization of propylene and ethylene under industrial conditions using triethyl aluminium as cocatalyst and dicyclopentyl dimethoxy silane as external donor. The effects of the concentration of ethylene and hydrogen on the polymerization behaviors and polymer properties were investigated. The combined effect of both ethylene and hydrogen increased the relative activity of the novel catalyst more than for the conventional catalyst. This trend was consistent with our earlier observed higher degree of dormancy, due to 2,1 insertions, found with the novel catalyst. More importantly, the work has uncovered that the self‐supported catalyst incorporates ethylene in a more random fashion and produces copolymers with relatively narrow molecular weight distribution (MWD). These results in combination with polymer microstructure studies using Fourier transform infrared spectroscopy, 13C‐NMR spectroscopy, and differential scanning calorimetry all indicated that the novel catalyst has a narrower distribution of active site types than the conventional reference catalyst. The narrow composition of active site structures, the narrow MWD, and the random incorporation of ethylene into the polymer chain indicated that the emulsion‐based catalyst possesses features that to a certain degree tend to be more indicative for a single‐site‐like catalyst structure and behavior. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Synthesis and Biological Evaluation of New Tetra‐aza Macrocyclic Scaffold Constrained Oxadiazole, Thiadiazole and Triazole Rings
Authors: Vinay Kumar B. , Naik H. S. Bhojya , Girija D. , Sharath N. , Sudeep H. V. , Joy Hoskeri H. 
Published: December 2011

AbstractA new series of N,N′‐(benzene‐1,3‐diyldi‐1,3,4‐oxadiazole‐5,2‐diyl)bis{2‐[(5‐benzene‐1,3‐diyl‐1,3,4‐oxadiazol‐2‐yl)amino]acetamide}(macrocycle 1), N,N′‐(benzene‐1,3‐diyldi‐1,3,4‐thiadiazole‐5,2‐diyl)bis{2‐[(5‐benzene‐1,3‐diyl‐1,3,4‐thiadiazol‐2‐yl)amino]acetamide} (macrocycle 2) and S,S′‐[benzene‐1,3‐diylbis(4H‐1,2,4‐triazole‐5,3‐diyl)]bis{[(5‐benzene‐1,3‐diyl‐4H‐1,2,4‐triazol‐3‐yl)sulfanyl]ethanethioate}(macrocycle 3) was synthesized from isophthalic dihydrazide (4) through a multistep reaction sequence. All the synthesized compounds were screened for their inhibitory effect against four different bacterial strains: P. aeruginosa ATCC‐20852, K. pneumoniae MTCC‐618, S. aureus ATCC‐ 29737, S. typhi MTCC‐ 3214. The synthesized compounds showed a significant zone of inhibition and the results were comparable with that of the standard drug ciprofloxacin. The synthesized compounds were further studied for their possible in vitro antioxidant effects by DPPH scavenging, total antioxidant capacity, total reductive capacity and H2O2 scavenging activity. The results indicated that the in vitro antioxidant activity for all the three molecules was efficient when compared to the standards. The DNA interaction behavior of macrocycles 1–3 with CT‐DNA was investigated by the absorption spectra obtained (Kb constant for 1 is 4.53 × 104 M−1, for 2 is 5.75 × 104 M−1 and for 3 is 5.86 × 104 M−1). Based on the results it can be interpreted that the reducing power effect of the newly synthesized compounds demonstrates a direct effect on DNA binding and hence inhibiting the bacterial growth through their action on DNA by inhibiting DNA replication or DNA transcription.
Ultrasound‐Assisted Synthesis of Novel α‐Aminophosphonates and Their Biological Activity
Authors: Rasheed Syed , Venkataramana Katla , Chandrasekhar Kuruva , Fareeda Gemmalamadugu , Raju Chamarthi Naga 
Published: December 2011

AbstractThe synthesis of a series of novel α‐aminosubstituted phosphonates was accomplished by the reaction of various substituted aldehydes with an amine amlodipine (3‐ethyl 5‐methyl (±)2‐((2‐aminoethoxy)methyl)‐4‐(2‐chlorophenyl)‐6‐methyl‐1,4‐dihydropyridene‐3,5‐dicarboxylate) followed by diethylphosphite/dibutylphosphite in ethanol using SnCl2.2H2O as a Lewis acid catalyst, under conventional and ultrasonic irradiation. Their structures were established by analytical and spectral data. The title compounds showed good antibacterial, antifungal and antiviral activity depending on the nature of the bioactive groups at the α‐carbon.
Synthesis and Antioxidant Properties of (3,4‐Dihydroxyphenyl)(2,3,4‐trihydroxyphenyl)methanone and Its Derivatives
Authors: Çetinkaya Yasin , Göçer Hülya , Menzek Abdullah , Gülçin İlhami 
Published: December 2011

Abstract(3,4‐Dihydroxyphenyl)(2,3,4‐trihydroxyphenyl)methanone (5) and its two derivatives with bromine were synthesized from reactions such as bromination and demethylation of (3,4‐dimethoxyphenyl)(2,3,4‐trimethoxyphenyl)methanone (6). The Wolf‐Kishner reduction product (9) of 6 and its three derivatives with bromine were obtained. 4‐(3,4‐Dihydroxybenzyl)benzene‐1,2,3‐triol and its dibromide derivative (16) were also synthesized from 9 and the corresponding dibromide derivative. The in vitro antioxidant activities of nine new compounds synthesized in these reactions were determined by analyzing the radical scavenging activities of bromophenols for 2,2′‐azino‐bis(3‐ethylbenzthiazoline‐6‐sulfonic acid) (ABTS), 1,1‐diphenyl‐2‐picryl‐hydrazyl (DPPH), N,N‐dimethyl‐p‐phenylenediamine (DMPD), and the superoxide anion radical (${\rm O}_{2}^{\bullet - } $) and examining the total reducing power through Fe3+‐Fe2+ transformation, FRAP and CUPRAC assays and the ferrous ions (Fe2+) chelating activities. Moreover, the results of these activities were compared to those of standard antioxidant compounds such as butylated hydroxyanisole (BHA), butylated hydroxytoluene (BHT), α‐tocopherol, and trolox. The results showed that the synthesized bromophenols had effective antioxidant power. The phenol 5 with two phenolic rings and five phenolic hydroxyl groups was the most potent antioxidant and radical scavenger. In conclusion, the new compounds are promising molecules to be used owing to their potential antioxidant properties.
4H‐1,4‐Benzothiazine, Dihydro‐1,4‐benzothiazinones and 2‐Amino‐5‐fluorobenzenethiol Derivatives: Design, Synthesis and in vitro Antimicrobial Screening
Authors: Armenise Domenico , Muraglia Marilena , Florio Marco Antonio , De Laurentis Nicolino , Rosato Antonio , Carrieri Antonio , Corbo Filomena , Franchini Carlo 
Published: December 2011

AbstractAs part of our studies focused on the design and synthesis of new antimicrobial agents a series of 7‐fluoro‐3,4‐dihydro‐2H‐1,4‐benzothiazine derivatives (4a–4f, 4h) and 7‐fluoro‐2H‐1,4‐benzothiazin‐3(4H)‐one analogues (4j–4o) were synthesized and evaluated for their in vitro inhibitory activity against a representative panel of Gram‐positive and Gram‐negative bacteria strains and also toward selected fungi species. These compounds were prepared in one step from chloro‐substituted‐2‐amino‐5‐fluorobenzenethiol 6a–6c. The biological screening identified in compounds 4a, 4j and 4l the most promising results of both series showing an interesting antimicrobial activity. Our antibiotic investigation was also completed by testing the key intermediates 6a–6c. Surprisingly, 6a–6c emerged as the compounds exhibiting the highest antimicrobial activity by possessing a remarkable antibacterial effect against the Gram‐positive strains with MIC (minimal inhibitory concentration) values between 2 and 8 µg/mL and the fungi panel with MIC values between 2 and 8 µg/mL. These results may prove useful in the design of a novel pool of antimicrobial agents.
Quantifying and measuring metadata completeness
Authors: Margaritopoulos Merkourios , Margaritopoulos Thomas , Mavridis Ioannis , Manitsaris Athanasios 
Published: December 2011

AbstractCompleteness of metadata is one of the most essential characteristics of their quality. An incomplete metadata record is a record of degraded quality. Existing approaches to measure metadata completeness limit their scope in counting the existence of values in fields, regardless of the metadata hierarchy as defined in international standards. Such a traditional approach overlooks several issues that need to be taken into account. This paper presents a fine‐grained metrics system for measuring metadata completeness, based on field completeness. A metadata field is considered to be a container of multiple pieces of information. In this regard, the proposed system is capable of following the hierarchy of metadata as it is set by the metadata schema and admeasuring the effect of multiple values of multivalued fields. An application of the proposed metrics system, after being configured according to specific user requirements, to measure completeness of a real‐world set of metadata is demonstrated. The results prove its ability to assess the sufficiency of metadata to describe a resource and provide targeted measures of completeness throughout the metadata hierarchy.
Audiovisual speech integration in autism spectrum disorders: ERP evidence for atypicalities in lexical‐semantic processing
Authors: Megnin Odette , Flitton Atlanta , R.G. Jones Catherine , de Haan Michelle , Baldeweg Torsten , Charman Tony 
Published: December 2011

AbstractIn typically developing (TD) individuals, behavioral and event‐related potential (ERP) studies suggest that audiovisual (AV) integration enables faster and more efficient processing of speech. However, little is known about AV speech processing in individuals with autism spectrum disorders (ASD). This study examined ERP responses to spoken words to elucidate the effects of visual speech (the lip movements accompanying a spoken word) on the range of auditory speech processing stages from sound onset detection to semantic integration. The study also included an AV condition, which paired spoken words with a dynamic scrambled face in order to highlight AV effects specific to visual speech. Fourteen adolescent boys with ASD (15–17 years old) and 14 age‐ and verbal IQ‐matched TD boys participated. The ERP of the TD group showed a pattern and topography of AV interaction effects consistent with activity within the superior temporal plane, with two dissociable effects over frontocentral and centroparietal regions. The posterior effect (200–300?ms interval) was specifically sensitive to lip movements in TD boys, and no AV modulation was observed in this region for the ASD group. Moreover, the magnitude of the posterior AV effect to visual speech correlated inversely with ASD symptomatology. In addition, the ASD boys showed an unexpected effect (P2 time window) over the frontocentral region (pooled electrodes F3, Fz, F4, FC1, FC2, FC3, FC4), which was sensitive to scrambled face stimuli. These results suggest that the neural networks facilitating processing of spoken words by visual speech are altered in individuals with ASD. Autism Res2011,4:xxx–xxx. © 2011 International Society for Autism Research, Wiley Periodicals, Inc.
Microarray expression profiling identifies genes regulating sustained cell specific productivity (S‐Qp) in CHO K1 production cell lines
Authors: Doolan Padraig , Barron Niall , Kinsella Paula , Clarke Colin , Meleady Paula , O'Sullivan Finbarr , Melville Mark , Leonard Mark , Clynes Martin 
Published: December 2011

AbstractFed batch culture processes are often characterized by decreasing cell culture performance as the process continues, presumably through the depletion of vital nutrients and the accumulation of toxic byproducts. We have similarly observed that cellular productivity (Qp) often declines during the course of a fed batch process; however, it is not clear why some cell lines elicit this behavior, while others do not. We here present a transcriptomic profiling analysis of a phenotype of sustained Qp (S‐Qp) in production Chinese hamster ovary (CHO) culture, in which a marked drop in Qp levels (“non‐sustained” (NS) phenotype) in two cell lines irrespective of viability levels was compared to two cell lines that consistently displayed high Qp throughout the culture (“sustained” (S) phenotype). Statistical analysis of the microarray data resulted in the identification of 22 gene transcripts whose expression patterns were either significantly negatively or positively correlated with long‐term maintenance of Qp over the culture lifespan. qPCR analysis of four of these genes on one of each (NS2, S2) of the cell lines examined by microarray analysis confirmed that two genes (CRYAB and MGST1) both replicated the microarray results and were differentially regulated between the NS and S phenotypes.
Characterization of the acylglycerols and resulting biodiesel derived from vegetable oil and microalgae (Thalassiosira pseudonana and Phaeodactylum tricornutum)
Authors: Zendejas Frank J. , Benke Peter I. , Lane Pamela D. , Simmons Blake A. , Lane Todd W. 
Published: December 2011

AbstractAlgal biofuels are a growing interest worldwide due to their potential in terms of sustainable greenhouse gas displacement and energy production. This article describes a comparative survey of biodiesel production and conversion yields of biodiesel via alkaline transesterification of acylglycerols extracted from the microalgae Thalassiosira pseudonana and Phaeodactylum tricornutum, grown under silicate or nitrate limitation, and that of model vegetable oils: soybean, and rapeseed oil. Acylglycerols were extracted with n‐hexane and the total yield per biomass was determined by gravimetric assay. Under our conditions, the total acylglycerol yield from the microalgae studied was 13–18% of total dry weight. The biodiesel samples were analyzed using gas chromatography–flame ionization detector to determine quantitative information of residual glycerol, mono‐, di‐, and tri‐acylglycerol concentrations in the biodiesel. All of the algal‐based biodiesel demonstrated less mono‐, di‐, and tri‐acylglycerol concentrations than the vegetable‐based biodiesel under identical transesterification conditions. The fatty acid compositions of all the feedstock oils and their resultant biodiesel were also analyzed and reported. Based on the fatty acid methyl ester compositions of our samples we qualitatively assessed the suitability of the algal‐derived biodiesel in terms of cetane number (CN), cold‐flow properties, and oxidative stability. Biotechnol. Bioeng. 2012;109: 1146–1154. Published 2011. This article is a U.S. Government work and is in the public domain in the USA.
Executive deficits detected in mild Alzheimer's disease using the antisaccade task
Authors: Kaufman Liam D. , Pratt Jay , Levine Brian , Black Sandra E. 
Published: December 2011

AbstractThe antisaccade task, a hands‐ and language‐free metric, may provide a functional index of the dorsolateral prefrontal cortex (DLPFC), a region damaged in the later stages of Alzheimer's disease (AD). Our objective was to determine if patients with mild AD made more errors relative to age‐matched controls. Thirty patients with mild AD (Mini Mental Status Exam [MMSE] ≥ 17) and 31 age‐matched controls completed a laptop version of the prosaccades and antisaccades tasks. Patients with AD made more antisaccade errors, and corrected fewer errors, than age‐matched controls. Error rates, corrected or uncorrected, were not correlated with AD MMSE or Dementia Rating Scale scores. Our findings indicate that antisaccade impairments exist in mild AD, suggesting clinically detectable DLPFC pathology may be present earlier than suggested by previous studies.
An automated microscale platform for evaluation and optimization of oxidative bioconversion processes
Authors: Baboo Jasmin Z. , Galman James L. , Lye Gary J. , Ward John M. , Hailes Helen C. , Micheletti Martina 
Published: December 2011

AbstractIn this work an integrated robotic platform has been used for the development of a fully automated microscale process sequence comprising fermentation and bioconversion using E. coli TOP10 [pQR210] expressing cyclohexanone monooxygenase (CHMO). Ninety six‐Deep Square Well (96‐DSW) microtiter plates were used for microbial culture and enzyme‐catalyzed conversion, where plate preparation, reagent addition, and sampling were all carried out without manual intervention. The adoption of automated robotic procedures has enabled the rapid collection of kinetic data for whole process optimization at the microscale. This high‐throughput approach enabled a range of amino acid sources for media formulation and well fill volumes to be investigated highlighting when nutritional limitation and oxygen limitations took place. The automated process sequence has been applied to test six CHMO substrates including norcamphor and cycloheptanone all of which to the best of our knowledge have yet to be tested with E. coli TOP10 [pQR210]. Substrate specificity and product selectivity were effectively demonstrated and compared to both the natural substrate cyclohexanone and the model substrate bicyclo[3.2.0]hept‐2‐en‐6‐one used to demonstrate asymmetric synthesis. The results obtained using the developed process sequence could be reproduced at 75 L scale when a matched oxygen transfer coefficient kLa approach was used. The study demonstrates how automated microscale processing enables the rapid collection of kinetic quantitative data in a robust manner with clear implications for accelerating bioprocess development, optimization, and scale‐up. © 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2012
Fluorinated Metal–Organic Frameworks: Advantageous for Higher H2 and CO2 Adsorption or Not?
Authors: Pachfule Pradip , Chen Yifei , Jiang Jianwen , Banerjee Rahul 
Published: December 2011

AbstractThe synthesis, structure, and gas adsorption properties of three new metal–organic frameworks (MOFs) designed from isonicotinic acid (INA) and its fluorinated analogue 3‐fluoroisonicotinic acid (FINA) along with CoII as the metal center have been reported. Co‐INA‐1 ([Co3(INA)4(O)(C2H5OH)3][NO3]⋅C2H5OH⋅3 H2O; INA=isonicotinic acid) and Co‐INA‐2 ([Co(INA)2]⋅DMF) are structural isomers as are Co‐FINA‐1 ([Co3(FINA)4(O)(C2H5OH)2]⋅H2O; FINA=3‐fluoroisonicotinic acid) and Co‐FINA‐2 ([Co(FINA)2]⋅H2O), but the most important thing to note here is that Co‐INA‐1 and Co‐FINA‐1 are isostructural as are Co‐INA‐2 and Co‐FINA‐2. The effect of partial introduction of fluorine atoms into the framework on the gas uptake properties of MOFs having similar structures has been analyzed experimentally and computationally in isostructural MOFs.
Synthesis of Bis‐indole Carboxamides as G‐Quadruplex Stabilizing and Inducing Ligands
Authors: Dash Jyotirmayee , Nath Das Rabindra , Hegde Nagaratna , Pantoş G. Dan , Shirude Pravin S. , Balasubramanian Shankar 
Published: December 2011

AbstractThe design and synthesis of a series of bis‐indole carboxamides with varying amine containing side chains as G‐quadruplex DNA stabilising small molecules are reported. Their interactions with quadruplexes have been evaluated by means of Förster resonance energy transfer (FRET) melting analysis, UV/Vis spectroscopy, circular dichroism spectroscopy and molecular modelling studies. FRET analysis indicates that these ligands exhibit significant selectivity for quadruplex over duplex DNA, and the position of the carboxamide side chains is of paramount importance in G‐quadruplex stabilisation. UV/Vis titration studies reveal that bis‐indole ligands bind tightly to quadruplexes and show a three‐ to fivefold preference for c‐kit2 over h‐telo quadruplex DNA. CD studies revealed that bis‐indole carboxamide with a central pyridine ring induces the formation of a single, antiparallel, conformation of the h‐telo quadruplex in the presence and absence of added salt. The chirality of h‐telo quadruplex was transferred to the achiral ligand (induced CD) and the formation of a preferred atropisomer was observed.
ChemInform Abstract: Cyclopropyl Carbinol Rearrangement for Benzo‐Fused Nitrogen Ring Synthesis.
Authors: Kothandaraman Prasath , Huang Chuhui , Susanti Dewi , Rao Weidong , Chan Philip Wai Hong 
Published: December 2011

AbstractTwo types of products are chemoselectively formed by the gold/silver catalyzed reaction.
Crystallisation of ferrous sulphate heptahydrate: Experiments and modelling
Authors: Shaikh Latif , Pandit Aniruddha , Ranade Vivek 
Published: December 2011

AbstractCrystallisation is an industrially important unit operation for purifying and separating chemical mixtures. A generic crystallisation modelling framework has been implemented in the general process modelling system (gPROMS) software (of PSE, UK). This framework can be used to model the batch cooling crystallisation of ferrous sulphate heptahydrate (FSH). The parameter estimation and sensitivity of the predicted results with various numerical parameters was studied for batch crystalliser. An Excel “front‐end” to the gPROMS model was developed to facilitate the interactive use of the model. © 2011 Canadian Society for Chemical Engineering
An optical platform for cell tracking in adult zebrafish
Authors: Zhang Li , Alt Clemens , Li Pulin , White Richard M. , Zon Leonard I. , Wei Xunbin , Lin Charles P. 
Published: December 2011

AbstractAdult zebrafish are being increasingly used as a model in cancer and stem cell research. Here we describe an integrated optical system that combines a laser scanning confocal microscope (LSCM) and an in vivo flow cytometer (IVFC) for simultaneous visualization and cell quantification. The system is set up specifically for non‐invasive tracking of both stationary and circulating cells in adult zebrafish (casper) that have been engineered to be optically transparent. Confocal imaging in this instrument serves the dual purpose of visualizing fish tissue microstructure and an imaging‐based guide to locate a suitable vessel for quantitative analysis of circulating cells by IVFC. We demonstrate initial testing of this novel instrument by imaging the transparent adult zebrafish casper vasculature and tracking circulating cells in CD41‐GFP/Gata1‐DsRed transgenic fish whose thrombocytes/erythrocytes express the green and red fluorescent proteins. In vivo measurements allow cells to be tracked under physiological conditions in the same fish over time, without drawing blood samples or sacrificing animals. We also discuss the potential applications of this instrument in biomedical research. © 2011 International Society for Advancement of Cytometry
Di(2‐ethylhexyl) phthalate metabolites as markers for blood transfusion in doping control: Intra‐individual variability of urinary concentrations
Authors: Solymos E. , Guddat S. , Geyer H. , Thomas A. , Thevis M. , Schänzer W. 
Published: December 2011

To indicate homologous or autologous blood transfusion in sports drug testing, quantification of increased urinary concentrations of di(2‐ethylhexyl) phthalate (DEHP) metabolites presents a promising approach; however, the possible intra‐individual variation of the metabolite concentrations over time has not been well characterized.The aim of this study was to explore the intra‐individual variability of urinary DEHP metabolites among seven volunteers without special occupational exposure to DEHP during one week (n = 253) in order to investigate the possibility of increased urinary concentrations of the metabolites caused by, for example, residential, dietary, or environmental exposure.Quantification of three DEHP metabolites – mono(2‐ethylhexyl) phthalate, mono(2‐ethyl‐5‐oxohexyl) phthalate, and mono(2‐ethyl‐5‐hydroxyhexyl) phthalate – was accomplished after enzymatic hydrolysis of urinary glucuronide conjugates and direct injection using isotope‐dilution liquid chromatography‐tandem mass spectrometry.Although urinary concentrations of DEHP metabolites showed considerable intra‐individual variation, no increased values were observed comparable to the concentrations measured in urine specimens collected after blood transfusion. Copyright © 2011 John Wiley & Sons, Ltd.