bluuebunny/crossref_metadata_2025_split huggingface dataset:
The thrombophilic state in cancer part II: Cancer outcomes, occult malignancy, and cancer suppression
Authors: DiPasco Peter J. , Misra Subhasis , Koniaris Leonidas G. , Moffat Frederick L. 
Published: April 2012

AbstractThe association between malignancy and thrombosis has long been appreciated but remains incompletely understood. This is the second of a two‐part review of the complex, integral relationship between these two entities, and addresses the specifics of cancer outcomes, occult malignancy in the presence of thrombosis, and the possibilities of cancer suppression by modulating thrombogenesis. J. Surg. Oncol. 2012; 106:517–523. © 2012 Wiley Periodicals, Inc.
Prognosis and treatment of micrometastatic breast cancer sentinel lymph node: A population‐based study
Authors: Cortesi Laura , Proietto Manuela , Cirilli Claudia , Tazzioli Giovanni , Andreotti Alessia , Federico Massimo 
Published: April 2012

AbstractBackground and ObjectivesMajor concern of sentinel lymph node (SLN) biopsy (SLNB) regards the prognosis of micrometastasis (Nmic) in SLN. The purpose of this study is to determine the adequate surgical treatment and prognosis of Nmic in a population‐based series of breast cancer patients.MethodsAll non‐metastatic breast cancer patients registered by the Modena Cancer Registry (MCR), from January 2000 to December 2008, were evaluated for SLNB. Information on patients' characteristics, treatment and follow‐up was collected.ResultsAmong 2,078 patients treated with SLNB, 28.5% (590) showed a positive SLN, subdivided in N0i+ 6.3% (31), Nmic 28.8% (176), N1 64.1% (378), and N2 0.8% (5). Of 176 Nmic, 80% (142) received an axillary lymph node dissection (ALND). Only three patients had ≥4 SLN involved. No axillary recurrence occurred in Nmic patients. The overall and disease‐free survival rates were N0 99.2% and 97.7%, N0i+ 100% and 100%, Nmic 96% and 93.2%, N+ (N1 + N2) 96.1% and 92.4%, respectively (N0 vs. Nmic P < 0.001).ConclusionsThis study suggests that patients with Nmic have a similar prognosis to N+ (N1 + N2) patients, and a low risk of local recurrence, questioning the necessity of ALND for Nmic SLN. J. Surg. Oncol. 2012; 106:399–405. © 2012 Wiley Periodicals, Inc.
Responding to secondary traumatic stress: A pilot study of torture treatment programs in the United States
Authors: Akinsulure‐Smith Adeyinka M. , Keatley Eva , Rasmussen Andrew 
Published: April 2012

AbstractProviders who care for torture survivors may be at risk for secondary traumatic stress, yet there has been little documentation of the effects of repeated exposure to traumatic issues on their emotional health or exploration of the support systems and resources available to address their emotional needs. This study assessed the secondary stress experiences of service providers (N = 43) within the National Consortium of Torture Treatment Programs in the United States and examined the supports offered by their organizations. The study found a significant correlation between rates of anxiety and depression among providers, r(34) = .49, p = .003. Although these participants reported that their work with survivors of torture was stressful, 91% indicated that their organizations offered a variety of stress‐reduction activities. Overall, participants reported that their own personal activities were the most‐effective stress reducers. The results are discussed in light of challenges that professionals who work with this population face and the effectiveness of support systems available to support their work.
Analytical and Numerical Methods for Capturing the Thermal Fluctuations of Semiflexible Polymers
Authors: Poelert Sander L. , Zadpoor Amir A. 
Published: April 2012

AbstractSemiflexible polymers that are submerged in a viscous fluid of finite temperature continuously fluctuate. An accurate description of such thermal fluctuations of single semiflexible polymers forms the corner stone of research on both synthetic and biological polymers in a wide variety of research fields, such as material science, mechanobiology, biophysics and bioengineering. The current study presents an overview of both analytical and numerical coarse‐grained models that capture the Brownian dynamics of single semiflexible polymers. These models include the worm‐like chain model, bead–rod, bead–spring and finite element models. The limitations of the discussed methods are addressed and suggestions are made for further research. magnified image
Analytische Chemie 2010/2011
Authors: Mizaikoff Boris 
Published: April 2012

AbstractMit Nanoporen detektieren elektrochemische Biosensoren einzelne Moleküle, Nanopartikel aus molekular geprägten Polymeren erkennen Proteine und Nukleinsäuren, und Nanostrukturen verstärken die Signale in der Ramanspektroskopie. Kleiner wurden auch die Säulenmaterialien für die Flüssigkeits‐ chromatographie: Partikeldurchmesser liegen unterhalb von 3 µm, Porendurchmesser im 10‐nm‐ Bereich. Nano ist aber nur ein Thema der Forschung in der analytischen Chemie. Der Trendbericht stellt in diesem Jahr auch Rastersondenmethoden und ihre Kombinationen vor, leistungsstarke Lichtquellen und neue Methoden in der Schwingungsspektroskopie, Alternativen zum induktiv gekoppelten Plasma und Atomabsorptionsspektroskopie in der Routineanalytik sowie Anwendungen in der Chemometrik.
Von Wasserstoff bis Radon: alles aus der Haribo‐Tüte
Authors: Schlicht Harald 
Published: April 2012

AbstractChemische Vorführungen, um Menschen zu unterhalten oder um Schülern etwas beizubringen, gelingen auch ohne Gestank und Explosion. Die grundsätzliche Struktur des Periodensystems der Elemente zeigt ein Modell aus Naschereien.
Deals: Zeit des Durchatmens
Authors: Schneider Bernd 
Published: April 2012

AbstractDie Übernahmen in der Chemiewirtschaft waren im Jahr 2011 geringer als im Jahr zuvor. Dies gilt auch für das vierte Quartal 2011 gegenüber dem dritten Quartal. Während europäische Unternehmen hauptsächlich außereuropäische kauften, übernahmen chinesische Unternehmen vor allem chinesische.
Chemiewelt im Wandel
Authors: Belderok Alexander , Keller Alexander , Kühner Sebastian 
Published: April 2012

AbstractDas Volumen der Chemiemärkte wird sich in den kommenden 20 Jahren weltweit verdoppeln. Dabei werden die Wachstumsraten sinken. Die Entwicklungsperspektiven reichen von einer regionalisierten Welt mit regulierten Märkten und Protektionismus bis zu globaler Prosperität, bei der sich Unternehmen durch Innovationen im weltweiten Wettbewerb behaupten.
Bequests to health‐related charitable organisations: a structural model
Authors: Sikkel Dirk , Schoenmakers Eric 
Published: April 2012

Charitable organisations, which support research on serious diseases such as cancer, heart diseases or rheumatism, are to a considerable extent dependent on bequests. Because in the Netherlands, in the next decade, the number of deaths per year is expected to increase at a faster rate than the population growth, it is likely that in the future bequests, there will be an even larger source of income. This paper examines the psychological motives that determine the propensity to include a health‐related charitable organisation in the will. Qualitative research by Schervish and Havens (2003) suggested that empathy for the suffering of others is the most important explanatory variable for leaving a bequest to charity. This result is examined and confirmed in a quantitative study by estimating a structural model that shows how other explanatory variables are mediated by empathy. Empathy is positively influenced by appeal of the charitable organisation, lack of family need, altruism and gratitude. Independent from empathy, generativity and personal experience with disease contribute to donations by bequests.Copyright © 2012 John Wiley & Sons, Ltd.
Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective
Authors: Wolters Lando P. , Bickelhaupt F. Matthias 
Published: April 2012

AbstractWe have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen‐bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth‐order regular approximation ZORA‐BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X.
Clinical and functional significance of loss of caveolin‐1 expression in breast cancer‐associated fibroblasts
Authors: Simpkins Samantha A , Hanby Andrew M , Holliday Deborah L , Speirs Valerie 
Published: April 2012

AbstractLoss of caveolin‐1 (Cav‐1) expression in breast cancer‐associated fibroblasts (CAFs) is predictive of poor prognosis in breast cancer, but its function has not been established. Our study tested the hypotheses that loss of Cav‐1 expression in breast fibroblasts was associated with poor prognosis in breast cancer, through promotion of breast cancer cell invasion. Cav‐1 stromal expression was immunohistochemically assessed in 358 breast cancers. Cav‐1 expression in primary breast fibroblasts was analysed by western blot. Modified Boyden chamber assays determined fibroblast ability to promote invasion of breast cancer cells. The impact of siRNA silencing of Cav‐1 in fibroblasts was evaluated using invasion assays and 3D co‐culture assays. Loss of Cav‐1 expression in breast stroma was significantly associated with decreased breast cancer‐specific and disease‐free survival (p = 0.01). Mean survival was 72 months (Cav‐1+ group) versus 29.5 months (Cav‐1− group). This was confirmed in multivariate analysis. Cav‐1 expression was significantly decreased in CAFs compared to normal fibroblasts (p = 0.01) and was associated with increased invasion‐promoting capacity. Cav‐1 siRNA‐treated fibroblasts promoted significantly increased invasion of MDA‐MB‐468 and T47D breast cancer cells from 27% (control) to 67% (p = 0.006) and from 37% to 56%, respectively (p = 0.01). 3D co‐cultures of MDA‐MB‐468 cells with myoepithelial cells led to the formation of organized cohesive structures when cultured with conditioned media from fibroblasts but resulted in a disorganized appearance in the presence of conditioned media from Cav‐1 siRNA‐treated fibroblasts, accompanied by loss of E‐cadherin expression in tumour cells. Our data confirm that loss of stromal Cav‐1 in breast cancer predicts poor outcome. At a functional level, Cav‐1‐deficient CAFs are capable of significantly increasing the invasive capacity of breast cancer cells. Copyright © 2012 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Mechanical and electrical multifunctional poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate)—multiwall carbon nanotube nanocomposites
Authors: Vidhate Shailesh , Innocentini‐Mei Lucia , D'Souza Nandika Anne 
Published: April 2012

AbstractIn this work, nanocomposites of poly(hydroxybutyrate‐co‐hydroxyvalerate) PHBV and multiwalled carbon nanotubes (MWNT) were prepared by melt blending. Mechanical, thermal, morphological, and electrical properties of the prepared PHBV/MWNT nanocomposites were investigated. Differential scanning calorimetry (DSC) and X‐ray diffraction (XRD) results showed MWNT effectively enhanced the crystallization and nucleation of PHBV. Dynamic thermo‐mechanical and static uniaxial mechanical tensile and compressive properties were increased by the addition of MWNT. MWNT observed in the nanocomposites using transmission electron microscopy (TEM) showed dimensions similar to separated nanotubes inferring a good dispersion. The presence of nanotubes in close vicinity with each other formed an interconnecting network that led to the formation of electrically conductive nanocomposites. The electrical resistance of the nanocomposites was reduced with the addition of MWNT. POLYM. ENG. SCI., 2012. © 2012 Society of Plastics Engineers
Toward forced assembly of in situ low‐density polyethylene composites reinforced with low‐Tg phosphate glass fibers: Effects of matrix crystallization and shear deformation
Authors: Lanneluc Romain , Bounor‐Legaré Véronique , Fulchiron René , Katena Jin , Otaigbe Joshua U. 
Published: April 2012

AbstractThis study is aimed at investigating the feasibility of using facile forced assembly methods (temperature and shear strain‐induced orientation of the dispersed phase) to create novel “in situ” low‐density polyethylene (LDPE) composites containing fibrillar inorganic phosphate glass (P‐glass) reinforcing phase during the composite fabrication. Clearly, the experimental results show that unique thermo‐rheological conditions exist under which the “in situ” LDPE composites containing fibrillar P‐glass with potential enhanced benefits can be prepared. DSC results showed that the P‐glass has a moderate nucleating effect on the LDPE crystallization that restricts in situ deformation of the P‐glass during the composite fabrication. Rheo‐optical data showed that a 5% P‐glass/95% LDPE hybrid composition, subjected to a shear rate of 20 s−1 in the parallel plate configuration and 130°C gave “in situ” LDPE composite samples with the largest amount of P‐glass fibers in the limited range of experimental conditions used. This study may spur interests in a better understanding of the potential for the “in situ” reinforcement of engineering plastics with inorganic P‐glasses, at the molecular level, to produce novel “in situ” polymer composites with very high aspect ratios of the reinforcing inorganic phase. POLYM. ENG. SCI., 2012. © 2012 Society of Plastics Engineers
Fe‐mediated SET‐LRP of MMA and St in the presence of air
Authors: Wang Guoxiang , Lu Mang 
Published: April 2012

AbstractIn this work, well‐defined homopolymers of methyl methacrylate (PMMA) and styrene (PSt) were prepared via single‐electron‐transfer living radical polymerization using CCl4 as initiator and Fe(0)/N, N, N′,N′‐tetramethyl‐1,2‐ethanediamine as catalyst. The polymerization was conducted at 25 °C in N,N‐dimethylformamide in the presence of air. It proceeded in a ‘living’ manner, as indicated by the first‐order kinetics behavior, and the linear increase of the number‐average molecular weight (Mn, GPC) with conversion was close to the theoretical Mn, theory. Solvent and additives have a profound effect on the polymerization. In addition, the PMMA and PSt obtained remained of low dispersity. The chain‐end functionality of the obtained homopolymer of PMMA was characterized by proton nuclear magnetic resonance. A block copolymer of P(MMA‐block‐St) was achieved by using the obtained PMMA as macroinitiator. The living characteristics were further demonstrated by chain extension experiments. Copyright © 2012 Society of Chemical Industry
A new approach for the preparation of chitosan from γ‐irradiation of prawn shell: effects of radiation on the characteristics of chitosan
Authors: Rashid Taslim Ur , Rahman Mohammed Mizanur , Kabir Shahriar , Shamsuddin Sayed M , Khan Mubarak A 
Published: April 2012

AbstractChitosan is a biodegradable polymer composed of randomly distributed β‐(1,4)‐linked D‐glucosamine (deacetylated unit) and N‐acetyl‐D‐glucosamine (acetylated unit). It is produced commercially by deacetylation of chitin, which is the structural element in the exoskeleton of crustaceans (such as crabs and shrimps) and the cell walls of fungi. In the work reported, we developed a facile technique for the preparation of chitosan by irradiating prawn shell at various intensities from 2 to 50 kGy. It was observed that γ‐irradiation of prawn shell increased the degree of deacetylation (DD) of chitin at a relatively low alkali concentration during the deacetylation process. Among the various irradiation doses applied to prawn shell, a dose of 50 kGy and 4 h heating in 50% NaOH solution yielded 84.56% DD while the chitosan obtained from non‐irradiated prawn shell with the same reaction conditions had only 74.70% DD. In order to evaluate the effect of γ‐irradiation on the various physicochemical, thermomechanical and morphological properties, the chitosan samples were again irradiated (2–100 kGy) with γ‐radiation. Molecular weight, DD, thermal properties with differential scanning calorimetry and thermogravimetric analysis, particle morphology by scanning electron microscopy, water binding capacity (WBC), fat binding capacity (FBC) and antimicrobial activity were determined and the effects of various γ‐radiation doses were assessed. The DD, WBC, FBC and antimicrobial activity of the chitosan were found to improve on irradiation. It was obvious that irradiation caused a decrease of molecular weight from 187 128 to 64 972 g mol−1 after applying a radiation dose of 100 kGy which occurred due to the chain scission of chitosan molecules at glycosidic linkages. The decrease of molecular weight increased the water solubility of the chitosan, the extent of which was explored for biomedical applications. Copyright © 2012 Society of Chemical Industry
End‐group composition of poly(3‐hexylthiophene)s prepared by in situ quenching of the grignard metathesis polymerization: Influence of additives and reaction conditions
Authors: Kochemba W. Michael , Kilbey S. Michael , Pickel Deanna L. 
Published: April 2012

AbstractThe ability to prepare well‐defined semiconducting polymers is essential for understanding the link between structure and function in organic photovoltaic devices. A general, one‐pot method for altering the degree of functionality of end‐functionalized poly(3‐hexylthiophene)s (P3HT) prepared by Grignard metathesis (GRIM) polymerization has been developed. In the absence of additives, the degree of functionality of end‐functional P3HTs prepared by quenching of the GRIM polymerization with a Grignard reagent is dependent on the Grignard reagent utilized. In this study, additives such as styrene and 1‐pentene are shown to alter the end‐group composition of tolyl‐functionalized P3HTs as determined by Matrix‐assisted Laser Desorption Ionization Time‐of‐flight Mass Spectrometry. In particular, when quenching the GRIM polymerization with tolylmagnesium bromide, a modest decrease in the difunctional product is observed, and the yield of the monofunctional product increases significantly. Temperature and lithium chloride (LiCl) addition also play impactful roles. Monofunctional P3HT is found to be the major product (72% abundance) when the functionalization is done in the presence of LiCl and styrene at 0 °C, whereas in the absence of additives the monofunctional product is present at only 11% abundance. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012
Nitrodeiodination of Polyiodopyrazoles
Authors: Ravi Pasupala , Koti Reddy Chaganti , Saikia Ananta , Mohan Gore Girish , Kanti Sikder Arun , Prakash Tewari Surya 
Published: April 2012

AbstractPolynitropyrazoles such as 3,4‐dinitro‐1H‐pyrazole (9), 3,4,5‐trinitro‐1H‐pyrazole (10), 1‐methyl‐3,4‐dinitropyrazole (8) and 1‐methyl‐3,4,5‐trinitropyrazole (3) have been synthesized in good yields adopting iodination route for the first time.
Burning Rate – Pressure Relationship of NG‐PE‐PCP‐based High Energy Propellants
Authors: Pande Shrikant M. , Sadavarte Vaibhav S. , Bhowmik Debdas , Gaikwad Dashrath D. , Singh Raja V. , Singh Haridwar 
Published: April 2012

AbstractNitramines are known to produce lower burning rates and higher pressure exponent (η) values. Studies on the burning rate and combustion behavior of advanced high‐energy NG/PE‐PCP/HMX/AP/Al based solid propellant processed by slurry cast route were carried out using varying percentages of HMX and AP. It was observed that propellant compositions containing only AP and Al loaded (total solids 75 %) in NG plasticized PE‐PCP binder produce comparatively lower pressure exponent (η) values similar to AP‐Al filled HTPB based composite propellants. However, energetic propellants containing high level of nitramine (40–60 %) produce high pressure exponent (0.8–0.9) values in the same pressure range. Incorporation of fine particle size AP (ca. 6 μm) and change in its concentration in the propellant composition reduces η value marginally and influences the burning rate. However, such compositions have higher friction sensitivity.
Simulation of the oxidation pathway on Si(100) using high‐resolution EELS
Authors: Hogan Conor , Caramella Lucia , Onida Giovanni 
Published: April 2012

AbstractWe compute high‐resolution electron energy loss spectra (HREELS) of possible structural motifs that form during the dynamic oxidation process on Si(100), including the important metastable precursor silanone and an adjacent‐dimer bridge (ADB) structure that may seed oxide formation. Spectroscopic fingerprints of single site, silanone, and “seed” structures are identified and related to changes in the surface bandstructure of the clean surface. Incorporation of oxygen into the silicon lattice through adsorption and dissociation of water is also examined. Results are compared to available HREELS spectra and surface optical data, which are closely related. Our simulations confirm that HREELS offers complementary evidence to surface optical spectroscopy, and show that its high sensitivity allows it to distinguish between energetically and structurally similar oxidation models.
Multimode Peierls distortion in triangular lattice
Authors: Miyoshi Kenta , Terai Akira 
Published: April 2012

AbstractWe have studied the multimode Peierls states in the electron–lattice system on a triangular lattice with a three‐quarter‐filled electronic band. Below the transition temperature, we have found many stable states of nearly same free‐energy. Focusing our attention on the lowest free‐energy state, we have found that the Peierls order parameter continuously increases from zero just below the transition temperature. When the temperature is raised from the region lower than the critical temperature, multiple phonon modes are simultaneously softened at the same temperature as when the temperature is lowered from the region higher that the critical temperature. These results tell us that the transition is of the second order. The non‐softened modes are also found to condense due to nonlinear coupling between the non‐softened modes and the softened modes. The degeneracy of the phonon modes observed at the higher temperature region is partially lifted at the lower temperature region.
Polarized–unpolarized ground state of small polycyclic aromatic hydrocarbons
Authors: San‐Fabiín E. , Moscardó F. 
Published: April 2012

AbstractDo polyacenes, circumacenes, periacenes, nanographenes, and graphene nanoribbons show a spin polarized ground state? In this work, we present monodeterminantal (Hartree–Fock (HF) and density functional theory (DFT) types), and multideterminantal calculations (Møller–Plesset and Coupled Cluster), for several families of unsaturated organic molecules (n‐Acenes, n‐Periacenes and n‐Circumacenes). All HF calculations and many DFT show a spin‐polarized (antiferromagnetic) ground state, in agreement with previous calculations. Nevertheless, the multideterminantal calculations, carried out with perturbative and variational wavefunctions, show that the more stable state is obtained starting from the unpolarized HF wavefunction. The trend of the stabilization of wavefunctions (polarized or unpolarized) with respect to exchange and correlation potentials, and to the number of benzene rings, has been analyzed. A study of the spin (〈Ŝ2〉) and the spin density on the carbon atoms has also been carried out. © 2012 Wiley Periodicals, Inc.