bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wood Protective Fungicidal Treatment: Quaternary Ammonium Molecules Grafting on Cellulose Assisted by Afterglows at Atmospheric Pressure
Authors: Lecoq Elodie , Desbrieres Jacques , Clement Franck , Leclaire Charlotte , Held Bernard 
Published: September 2012

AbstractWood or cellulosic materials protection against fungi is possible by binding covalent molecules as quaternary ammonium compounds (QAC) on the hydroxyl reactive groups present in cellulose. This work firstly consists in the synthesis of a specific quaternary ammonium molecule containing a long aliphatic chain and an epoxide reactive group: Glycidyldimethyldodecylammonium chloride (GDDAC). Fungicidal properties of this molecule have been proven. Secondly, afterglows issued from atmospheric pressure Dielectric Barrier Discharges (DBDs), can assist QAC grafting on cellulose. The efficiency of the reaction is improved by adding a few percentage of oxygen in nitrogen DBD. Antifungal efficiency of GDDAC grafting on wood sawdust is finally shown demonstrating the great interest of such process. magnified image
Understanding the Synthesis of Ethylene Glycol Pulsed Plasma Discharges
Authors: Wells Gabriel Padron , Estrada‐Raygoza Isabel Cristina , Thamban P. L. Stephan , Nelson Caleb T. , Chung Chin‐Wook , Overzet Lawrence J. , Goeckner Matthew J. 
Published: September 2012

AbstractIn the present work, an investigation of the gas and surface phase behavior of ethylene glycol (EG) pulsed discharges is presented. Infrared and optical emission spectroscopy along with time‐resolved electron temperature (Te) and electron density (ne) measurements were employed in these pulsed EG plasmas to study the dynamics of monomer fragmentation and effective chemical feedback from boundary walls. Maximized retention of monomer functionality, (CH2CH2O)n, were seen in polymer deposits when processed at low values of average power (<20 W). This preservation of monomer functionality is attributed to the increase in effective collision time between electrons and EG molecules. Presented results correlated well with proposed ethylene glycol dissociation pathways in the pulsed discharge. magnified image
Neutral Polymeric Bonding Agents (NPBA) and Their Use in Smokeless Composite Rocket Propellants Based on HMX‐GAP‐BuNENA
Authors: Landsem Eva , Jensen Tomas L. , Hansen Finn K. , Unneberg Erik , Kristensen Tor E. 
Published: September 2012

AbstractVery few efficient bonding agents for use in solid rocket propellants with nitramine filler materials and energetic binder systems are currently available. In this work, we report the synthesis, detailed characterization, and use of neutral polymeric bonding agents (NPBA) in isocyanate‐cured and smokeless composite rocket propellants based on the nitramine octogen (HMX), the energetic binder glycidyl azide polymer (GAP), and the energetic plasticizer N‐butyl‐2‐nitratoethylnitramine (BuNENA). These polymeric bonding agents clearly influenced the viscosity of the uncured propellant mixtures and provided significantly enhanced mechanical properties to the cured propellants, even at low NPBA concentrations (down to 0.001 wt‐% of propellant). A modified NPBA more or less free of hydroxyl functionalities for interactions with isocyanate curing agent provided the same level of mechanical improvement as regular NPBA containing a substantial number of reactive hydroxyl groups. However, some degree of reactivity towards isocyanate is essential for function.
Formation and Characterization of Nano‐sized RDX Particles Produced Using the RESS‐AS Process
Authors: Essel Jonathan T. , Cortopassi Andrew C. , Kuo Kenneth K. , Leh Christopher G. , Adair James H. 
Published: September 2012

AbstractIt has been shown that nano‐sized particles of secondary explosives are less sensitive to impact and can alter the energetic performance of a propellant or explosive. In this work the Rapid Expansion of a Supercritical Solution into an Aqueous Solution (RESS‐AS) process was used to produce nano‐sized RDX (cyclo‐1,3,5‐trimethylene‐2,4,6‐trinitramine) particles. When a saturated supercritical carbon dioxide/RDX solution was expanded into neat water, RDX particles produced from the RESS‐AS process agglomerated quickly and coarsened through Ostwald ripening. However, if the pH level of the suspension was changed to 7, particles were metastably dispersed with a diameter of 30 nm. When the supercritical solution was expanded into air under the same pre‐expansion conditions using the similar RESS process, RDX particles were agglomerated and had an average size of approximately 100 nm. Another advantage of using a liquid receiving solution is the possibility for coating energetic particles with a thin layer of polymer. Dispersed particles were formed by coating the RDX particles with the water soluble polymers polyvinylpyrrolidone (PVP) or polyethylenimine (PEI) in the RESS‐AS process. Both PVP and PEI were used because they have an affinity to the RDX surface. Small and well‐dispersed particles were created for both cases with both PVP and PEI‐coated RDX particles shown to be stable for a year afterward. Several benefits are expected from these small polymer coated RDX particles such as decreased sensitivity, controlled reactivity, and enhanced compatibility with other binders for fabrication of bulk‐sized propellants and/or explosives.
Correlation of Structure and Sensitivity in Inorganic Azides III. A Mechanistic Interpretation of Impact Sensitivity Dependency on Non‐bonded Nitrogen to Nitrogen Distance
Authors: Cartwright Michael 
Published: September 2012

AbstractPreviously established correlations between impact sensitivity and minimum, non‐bonded, nitrogen to nitrogen distances in inorganic azides, imply that there must be a mechanism in operation, which can predict the non reaction of alkali metal azides and the violent decomposition of copper, silver, and lead azides. This paper examines the molecular orbitals used for bonding in the azides. The orbital energy level diagram indicates that the highest occupied molecular orbital, HOMO, are two, π type, non‐bonded orbitals, each occupied by an electron pair. The electron density lobes for these π type orbitals protrude into the space beyond both ends of the azide ion. These orbitals can overlap with ‘p’ and ‘d’ type orbitals on the metal cation, facilitating the transfer of the electron back to the metal cation; an integral part of the decomposition reaction. If an exciton is generated on the azide ion, the electron can migrate, via the extended three center MO, to the metal cation, leaving the positive hole on the terminal nitrogen atom. A similar hole on an adjacent azide, would allow the non‐bonding orbitals on each azide to interact. As the distance between neighboring azide ions decreases, it is postulated that these, non‐bonding, π type orbitals start to overlap and become bonding orbitals between adjacent azide ions. This process forms an unstable N6 moiety, which leads to the formation of three nitrogen molecules from two original azide ions. Thus, a feasible mechanism for the reaction can explain the observation that azides with non‐bonded nitrogen to nitrogen distances of >300 nm do not show impact sensitivity but, as this distance decreases below 300 nm, the sensitivity increases. The non impact sensitive azides could respond to thermal stimulus, which increases the thermal motion, thus reducing the critical nitrogen to nitrogen non‐bonded distance and reducing the energy for exciton production. Further work is required on the energy changes for such a reaction.
The binding mechanism, multiple binding modes, and allosteric regulation of Staphylococcus aureus Sortase A probed by molecular dynamics simulations
Authors: Kappel Kalli , Wereszczynski Jeff , Clubb Robert T. , McCammon J. Andrew 
Published: September 2012

AbstractSortase enzymes are vitally important for the virulence of gram‐positive bacteria as they play a key role in the attachment of surface proteins to the cell wall. These enzymes recognize a specific sorting sequence in proteins destined to be displayed on the surface of the bacteria and catalyze the transpeptidation reaction that links it to a cell wall precursor molecule. Because of their role in establishing pathogenicity, and in light of the recent rise of antibiotic‐resistant bacterial strains, sortase enzymes are novel drug targets. Here, we present a study of the prototypical sortase protein Staphylococcus aureus Sortase A (SrtA). Both conventional and accelerated molecular dynamics simulations of S. aureus SrtA in its apo state and when bound to an LPATG sorting signal (SS) were performed. Results support a binding mechanism that may be characterized as conformational selection followed by induced fit. Additionally, the SS was found to adopt multiple metastable states, thus resolving discrepancies between binding conformations in previously reported experimental structures. Finally, correlation analysis reveals that the SS actively affects allosteric pathways throughout the protein that connect the first and the second substrate binding sites, which are proposed to be located on opposing faces of the protein. Overall, these calculations shed new light on the role of dynamics in the binding mechanism and function of sortase enzymes.
Electrospray ionization tandem mass spectrometry of protonated and alkali‐cationized Boc‐N‐protected hybrid peptides containing repeats of D‐Ala‐APyC and APyC‐D‐Ala: Formation of [bn–1 + OCH3 + Na]+ and [bn–1 + OH + Na]+ ions
Authors: Raju G. , Purna Chander C. , Srinivas Reddy K. , Srinivas R. , Sharma G. V. M. 
Published: September 2012

RATIONALEDifferentiation and structural characterization of positional isomers of non‐natural amino acid hybrid peptides by using electrospray ionization tandem mass spectrometry (ESI‐MSn) is desirable because of their fundamental importance from the view point of peptide mass spectrometry and also of their increasing importance in the area of research towards biomedical and material applications; hence, the present study is undertaken.METHODSElectrospray ionization ion‐trap tandem mass spectrometry (ESI‐MSn) was used to characterize and differentiate three pairs of positional isomers of Boc‐N‐protected hybrid peptides containing repeats of D‐Ala‐APyC and APyC‐D‐Ala (D‐Ala = D‐alanine and APyC = trans‐3‐aminopyran‐2‐carboxylic acid).RESULTSESI‐MSn spectra of protonated and alkali‐cationized positional isomeric peptides display characteristic fragmentation involving the peptide backbone, the Boc group, and the side chain. It is observed that abundant rearrangement ions [bn–1 + OCH3 + Na]+ or [bn–1 + OH + Na]+ are formed when D‐Ala is present at C‐terminus and the presence of APyC at the C‐terminus inhibits the formation of rearrangement ions. In addition, abundant bn–1+ ions are formed, presumably with stable oxazolone structures, when the C‐terminus of bn–1+ ions possessed D‐Ala.CONCLUSIONSThe present study demonstrates that ESI tandem mass spectrometry is very useful for differentiating positional isomers of hybrid peptides containing D‐Ala and APyC amino acids. While the protonated peptides give rise to characteristic sequencing ions, the cationized peptides produce additional rearrangement ions ([bn–1 + OCH3 + Na]+ and [bn–1 + OH + Na]+) which helps distinguish between the presence of D‐Ala and APyC amino acids at the C‐terminus. Copyright © 2012 John Wiley & Sons, Ltd.
Physicochemical Characteristics of Nanoparticles Affect Circulation, Biodistribution, Cellular Internalization, and Trafficking
Authors: Duan Xiaopin , Li Yaping 
Published: September 2012

AbstractNanoparticles have many potential applications in tumor therapy. Systemically administered nanoparticles should remain in circulation for a long time to increase their accumulation in targeted tissues before being cleared by the reticuloendothelial system, and be effectively internalized by the targeted cells, which can be influenced significantly by the physicochemical characteristics of nanoparticles, such as particle size, surface properties, and particle shape. This review highlights the impact of the main affects of physicochemical properties on nanoparticle transport behavior in blood, their uptake and clearance by macrophages and their consequent biodistribution, as well as their interaction with targeted cells.
Shrinkage and absolute penalty estimation in linear regression models
Authors: Ahmed S. Ejaz , Raheem S.M. Enayetur 
Published: September 2012

AbstractIn predicting a response variable using multiple linear regression model, several candidate models may be available which are subsets of the full model. Shrinkage estimators borrow information from the full model and provides a hybrid estimate of the regression parameters by shrinking the full model estimates toward the candidate submodel. The process introduces bias in the estimation but reduces the overall prediction error that offsets the bias. In this article, we give an overview of shrinkage estimators and their asymptotic properties. A real data example is given and a Monte Carlo simulation study is carried out to evaluate the performance of shrinkage estimators compared to the absolute penalty estimators such as least absolute shrinkage and selection operator (LASSO), adaptive LASSO and smoothly clipped absolute deviation (SCAD) based on prediction errors criterion in a multiple linear regression setup.WIREs Comput Stat2012, 4:541–553. DOI: 10.1002/wics.1232This article is categorized under:Statistical Learning and Exploratory Methods of the Data Sciences > Modeling MethodsStatistical Models > Linear Models
Candida famata (Candida flareri)
Authors: Dmytruk Kostyantyn V. , Sibirny Andriy A. 
Published: September 2012

AbstractCandida famata (Candida flareri) belongs to the group of so‐called ‘flavinogenic yeasts’, capable of riboflavin oversynthesis under condition of iron starvation. Some strains of C. famata belong to the most flavinogenic organisms known and were used for industrial production of riboflavin for a long time in the USA. C. famata is characterized by high salt tolerance, growing at NaCl concentrations of up to 2.5  m. Development of basic tools for the metabolic engineering of C. famata, such as a transformation system, selective markers, insertional mutagenesis, a reporter system and others, are described. The developed tools were used for cloning and identification of structural and regulatory genes of riboflavin synthesis. The construction of improved yeast strains producing riboflavin, FMN and FAD, based on the industrial riboflavin‐producing strain dep8 and its non‐reverting analogue AF4, is also described. Copyright © 2012 John Wiley & Sons, Ltd.
Role of Laparoscopy in Penetrating Abdominal Trauma: A Systematic Review
Authors: O’Malley Eimer , Boyle Emily , O’Callaghan Adrian , Coffey J. Calvin , Walsh Stewart R. 
Published: September 2012

AbstractBackgroundDebate remains regarding the optimum role of laparoscopy in the setting of trauma although it can offer advantages over traditional exploratory laparotomy. Laparoscopy can be a screening, diagnostic or therapeutic tool in trauma. The purpose of this review is to evaluate the role of laparoscopy in penetrating abdominal traumaMethodsThe PUBMED database was searched with the keywords “Laparoscopy AND Trauma”. Additional citation searching and searching of the grey literature was conducted. Relevant studies were chosen on the basis of the defined inclusion and exclusion criteria and quality was assessed where appropriate using the Downs and Black checklistResultsIn total, 51 studies were included in the analysis of which only 13 were prospective. In most studies, laparoscopy was used as a screening, diagnostic or therapeutic tool. In total, 2569 patients underwent diagnostic laparoscopy (DL) for penetrating abdominal trauma (PAT), 1129 (43.95 %) were positive for injury. 13.8 % of those with injury had a therapeutic laparoscopy. In total 33.8 % were converted to laparotomy, 16 % of which were non‐therapeutic and 11.5 % of them were negative. 1497 patients were spared a non‐therapeutic laparotomy. Overall, 72 patients suffered complications, there were 3 mortalities and 83 missed injuries. Sensitivity ranged from 66.7–100 %, specificity from 33.3–100 % and accuracy from 50–100 %. 23 of the 50 studies reported sensitivity, specificity and accuracy of 100 %, including the four most recent studies. In general the quality of the reported studies was poor. When used for cohort studies, the mean Downs and Black checklist score was 13.25 out of a possible total of 28.ConclusionsIn summary, laparoscopy in PAT may have an important role in a selected subgroup of patients, with surgeon expertise also an important factor. Laparoscopy has screening, diagnostic and therapeutic roles, particularly where diaphragm injury is suspected. It is extremely sensitive in determining need for laparotomy but detects hollow visceral injuries less reliably. It has potential as a therapeutic tool in centres with appropriate expertise. The development of specific guidelines or protocols may increase the value of laparoscopy in trauma but this would require more evidence of a higher quality.
Robot‐assisted surgery: improved tool for major liver resections?
Authors: Abood Gerard J. , Tsung Allan 
Published: September 2012

AbstractMinimally invasive liver surgery has recently undergone an explosion in reported worldwide experience. Given its comparable outcomes to its open counterpart, high‐volume centers are utilizing minimal access liver surgery more frequently under well‐defined criteria. The recent introduction of robot‐assisted surgery has further revolutionized the field of minimally invasive surgery and has expanded the reach of feasibility. Robot‐assisted surgery was developed to help overcome the disadvantages of conventional laparoscopic surgery. As a result, there has been an increase in the reporting of advanced robot‐assisted liver resections. A literature review was performed to identify the current manuscripts describing robot‐assisted liver surgery. Nine case series were identified, yielding 144 unique patient characteristics. Outcomes indicate that robot‐assisted liver resection is feasible and safe for both minor and major liver resections with regard to estimated blood loss, length of stay, and complications. Early data also suggest that robot‐assisted liver surgery is efficacious with regard to short‐term oncologic outcomes. Future studies will be needed to better evaluate advantages and disadvantages compared to laparoscopic liver resections.
Analysis of the saccharification capability of high-functional cellulase JN11 for various pretreated biomasses through a comparison with commercially available counterparts
Authors: Kawai Tetsushi , Nakazawa Hikaru , Ida Noriko , Okada Hirofumi , Tani Shuji , Sumitani Jun-ichi , Kawaguchi Takashi , Ogasawara Wataru , Morikawa Yasushi , Kobayashi Yoshinori 
Published: September 2012

Abstract
Although the capabilities of Trichoderma reesei cellulases have been greatly improved, these enzymes are still too costly for commercial use. The aim of this research was to assess the biomass saccharification capability of JN11, a recombinant cellulase, compared with that of the commercially available cellulases Accellerase 1500 and Cellic CTec. The activities of JN11, Accellerase 1500, and Cellic CTec were compared by using various types of cellulosic biomass, including rice straw, Erianthus, eucalyptus, and Japanese cedar. JN11 had higher saccharification capability for rice straw, Erianthus, eucalyptus, and Japanese cedar compared with the commercial cellulases. The JN11 saccharification of cellulosic biomasses, including hemicellulose (NaOH-pretreated biomasses), resulted in high glucose and xylose yields because of the high xylanase/xylosidase activity of JN11. Moreover, even JN11 saccharification of hemicellulose-free biomasses (sulfuric acid-, hydrothermally, and steam exploded-pretreated biomasses) resulted in high glucose yields. The cellulase activity of JN11, however, was comparable to that of its commercial counterparts. These findings indicate that the saccharification ability of cellulase is unrelated to its cellulase activity when measured against Avicel, CMC, pNP-lactoside, and other substrates. JN11 showed high activity for all types of pretreated cellulosic biomasses, indicating its usefulness for saccharification of various cellulosic biomasses.
Ethoxy Carboxylate Extended Surfactant: Surface Charge of Surfactant‐Modified Alumina, Adsolubilization and Solubilization of Phenylethanol and Styrene
Authors: Arpornpong Noulkamol , Lewlomphaisan Jirapat , Charoensaeng Ampira , Sabatini David A. , Khaodhiar Sutha 
Published: September 2012

AbstractAdsolubilization of contaminants by surfactant‐modified material is an important phenomenon for surfactant‐based environmental technologies. Recently, extended surfactants have been shown to enhance the adsolubilization capacity of organic solutes. In this study, two extended surfactants (ethoxy propoxylated carboxylate extended surfactant—C16PO4EO5C and propoxylate extended sulfate surfactant—C16PO4S) were selected for modifying positively charged alumina surfaces with the aim of enhancing adsolubilization of organic solutes with varying degrees of polarity (phenanthrene, styrene, and phenylethanol). The nature of the charged surface as a function of extended surfactant adsorption was evaluated through the zeta potential measurements. The results showed that at maximum bilayer coverage, the zeta potential of the alumina surface remained constant and was oppositely charged (negative) to the unmodified alumina (positive). Zeta potential measurements showed that the adsorbed bilayer of carboxylate‐based extended surfactant produced more negatively charged surface. Surfactant desorption results showed that the surfactant‐modified surface retained their negatively charge, albeit reduced, indicating that partial desorption occurred but not to the point that the positively charged alumina surface was realized. The adsolubilization results suggest a benefit of the ethoxy groups in adsolubilizing the polar phenylethanol in the palisade layer.
Perception of biological motion as motion-from-form
Authors: Lappe M. 
Published: September 2012

Abstract
The recognition of the movements and ac­tions of others is of great importance for social interaction. The visual motion pat­tern projected on the retina when watching somebody else act is called biological mo­tion. Because of the many degrees of free­dom of the body, biological motion is a rel­atively complicated motion pattern, much more variable, for example, than optic flow or object motion. The regularities of biolog­ical motion are contained in its relationship to the body, i.e. in the constraints imposed by the articulation of the limbs on the move­ment of the body parts. The neural mecha­nisms of biological motion perception, there­fore, take body form information into ac­count. I describe a model of biological mo­tion perception that starts from a representa­tion of body form and posture and retrieves biological motion as the transformation of the body posture over time. Essentially, this proposes a ventral pathway to motion per­ception that is distinct from the other motion pathways in the dorsal stream, and special­ized for body motion.
Fertility Transitions and Schooling: From Micro- to Macro-Level Associations
Authors: Eloundou-Enyegue Parfait M. , Giroux Sarah C. 
Published: September 2012

AbstractResearch on the schooling implications of fertility transitions often faces an aggregation problem: despite policy interest in macro-level outcomes, empirical studies usually focus on the micro-level effects of sibsize on schooling. This article proposes an aggregation framework for moving from micro- to macro-level associations between fertility and schooling. The proposed framework is an improvement over previous aggregation methods in that it considers concurrent changes in the effects of sibsize, socioeconomic context, and family structure. The framework is illustrated with data from six sub-Saharan countries. Possible extensions are discussed.