bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigations of the dissociation behavior and interfacial adsorption characteristics of polyelectrolytes from poly(acrylamido‐2‐methyl‐1‐propane sulfonic acid) with an octadecyl side chain
Authors: Chandrasekar K. , Baskar Geetha
Published: November 2005

Water‐soluble polymeric amphiphiles derived from acrylamido‐2‐methyl‐1‐propane sulfonic acid (AMPS) and octadecyl monomers in which the linker groups vary among acryloyl [octadecyl methacrylate (ODMAc)], maleate [octadecyl maleate ester (ODME)], and maleamic acid [octadecyl maleamic acid (ODMA)] have been synthesized. The dissociation behavior in water from potentiometric titration suggests that these polymers show resistance to neutralization. This might arise from coil structures, which effect the destabilization of sulfonate ions because of a proximity effect. The effect of the COOH group in modifying the dissociation behavior in the copolymers AMPS–ODME and AMPS–ODMA is indicated. The ratio of the intensities of the third vibronic peak (I3) to the first vibronic peak (I1) of the fluoroprobe pyrene in the presence of polymer solutions shows negligible changes as a function of pH, and this suggests the retention of micropolarity. The high I3/I1 value observed in the presence of the ODMAc polymer suggests intermolecular association. The reduction in the reduced viscosity with the concentration of the polymers suggests the polyelectrolyte behavior of all the copolymers. The progressive decrease in the reduced viscosity from 120 to 95 mL/g when the degree of ionization increases from 0.5 to 1 for the ODME polymer suggests changes in the solution structure. AMPS–ODMA and AMPS–ODME polymers exhibit significant adsorption at the interface and exhibit equilibrium surface tensions of 58.8 and 56.3 mN/m, respectively. The lower surface activity and higher reduced viscosity of ODMAc polymer solutions further support the formation of intermolecular associated or network structures. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 314–324, 2006
Characterization and corrosion resistance of organically modified silicate/MO2 (M = Zr, Ti, or Ce) hybrid coatings on a 6061‐T6 aluminum alloy
Authors: Wu K. H. , Li M. C. , Chang T. C. , Yang C. C.
Published: November 2005

Hybrid coatings based on organically modified silicate (Ormosil)/ZrO2 (0–1.0 wt %) and Ormosil/MO2 (M = Ti or Ce) were synthesized through a sol–gel technique. Tetraethylenepentamine, 3‐glycidoxypropyltrimethoxysilane, tetraethoxysilane, and MO2 (M = Zr, Ti, or Ce) metallic particle were used as precursors for the hybrid coatings. These hybrid films were deposited via spin coating onto an aluminum alloy to improve the corrosion protection. The effects induced by the ZrO2 content and the metallic particle type on the chain dynamics, thermal stability, and corrosion performance of the coated samples were investigated. The rotating‐frame spin–lattice relaxation times and scale of the spin–diffusion path length indicated that the configuration of the hybrid films was highly crosslinked and dense and adhered to the aluminum alloy substrates. The thermal stability and the apparent activation energy, evaluated by van Krevelen's method, of the hybrid coatings depended on the ZrO2 content and on the metallic particle type. Potentiodynamic and salt‐spray analysis revealed that the hybrid films provided exceptional barrier and corrosion protection in comparison with untreated aluminum alloy substrates. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 335–342, 2006
Syntheses of cyclodextrin–3′‐azido‐3′‐deoxythymidine conjugates and their sulfates with improved anti‐HIV activities
Authors: Chung Ildoo , Lee Chong‐Kyo , Ha Chang‐Sik , Cho Won‐Jei
Published: November 2005

New anti‐HIV agents, cyclodextrin–3′‐azido‐3′‐deoxythymidine (CD–AZT) conjugates, were synthesized and characterized. A succinate diester spacer was used to covalently couple 3′‐azido‐3′‐deoxythymidine (AZT) onto cyclodextrin. In addition, their sulfates were prepared by the reaction of CD–AZT conjugates and a sulfur trioxide/pyridine complex at 80 °C. The degree of AZT substitution of the synthesized conjugates and the sulfur contents of their sulfates were calculated from elemental analysis and ranged from 1.3 to 4.7 and from 8.4 to 12.1, respectively. These resulting sulfated conjugates were expected to have a synergistic effect against HIV because of the two anti‐HIV active agents (sulfate group and AZT) by the inhibition of virus attachment to cells and that of reverse transcriptase. The in vitro antiviral activity of these conjugates was determined and used to evaluate the potential applications in anti‐AIDS drugs. The in vitro anti‐HIV activities indicated that the synthesized conjugates and their sulfates against HIV‐1 and HIV‐2 strains were much better inhibitors than AZT. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 295–303, 2006
Mono‐, bis‐, and trismaleimides having electron‐donating chromophores: Fluorescence, electrochemical properties, polymerization, and cure monitoring
Authors: Zhang Xin , Li Zi‐Chen , Wang Zhe‐Ming , Sun Hao‐Ling , He Zheng , Li Kai‐Bo , Wei Liu‐He , Lin Song , Du Fu‐Sheng , Li Fu‐Mian
Published: November 2005

Mono‐, bis‐, and trismaleimides (MM‐2, BM‐4, and TM‐6, respectively) bearing electron‐donating chromophores generally displayed strong fluorescence quenching. The quenching mechanism of fluorescence was revealed by electrochemical studies. On the basis of the electrochemical data, an energy level diagram was established for these maleimides. The electron‐donating ability increased in the order of TM‐6 < BM‐4 < MM‐2. The electron‐accepting ability increased in the opposite order, that is, from MM‐2 to BM‐4 to TM‐6. The copolymerization of multimaleimides with diamine could be well monitored by fluorescence spectroscopy. Compared with fluorescence probe techniques, the fluorescence monitoring could directly reflect the consumption of CC bonds. Furthermore, a novel trismaleimide resin was preliminarily studied, in which TM‐6 was a dual‐purpose functional monomer acting not only as a crosslinker but also as an intrinsic fluorophore to monitor its crosslinking or cure process. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 304–313, 2006
Preparation, morphology, and thermoresponsive properties of poly(N‐isopropylacrylamide)‐based copolymer microgels
Authors: Lin Chia‐Lung , Chiu Wen‐Yen , Lee Chia‐Fen
Published: November 2005

In this research, thermoresponsive copolymer latex particles with an average diameter of about 200–500 nm were prepared via surfactant‐free emulsion polymerization. The thermoresponsive properties of these particles were designed by the addition of hydrophilic monomers [acrylic acid (AA) and sodium acrylate (SA)] to copolymerize with N‐isopropylacrylamide (NIPAAm). The effects of the comonomers and composition on the synthesis mechanism, kinetics, particle size, morphology, and thermoresponsive properties of the copolymer latex were also studied to determine the relationships between the synthesis conditions, the particle morphology, and the thermoresponsive properties. The results showed that the addition of hydrophilic AA or SA affected the mechanism and kinetics of polymerization. The lower critical solution temperature (LCST) of the latex copolymerized with AA rose to a higher temperature. However, because the strong hydrophilic and ionic properties of SA caused a core–shell structure, where NIPAAm was in the inner core and SA was in the outer shell, the LCST of the latex copolymerized with SA was still the same as that of pure poly(N‐isopropylacrylamide) latex. It was concluded that these submicrometer copolymer latex particles with different thermoresponsive properties could be applied in many fields. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 356–370, 2006
“One‐pot” synthesis of aromatic poly(1,3,4‐oxadiazole)s in novel solvents—ionic liquids
Authors: Lozinskaya Elena I. , Shaplov Alexander S. , Kotseruba Mariya V. , Komarova Lidiya I. , Lyssenko Konstantin A. , Antipin Mikhail Y. , Golovanov Denis G. , Vygodskii Yakov S.
Published: November 2005

The new convenient method for the synthesis of high molecular weight aromatic poly(1,3,4‐oxadiazole)s (PODs) has been proposed. These polymers were prepared by “one‐pot” procedure from dicarboxylic acid and hydrazine's salt (sulfate, phosphate) or dicarboxylic acid dihydrazides. The mixture of ionic liquid and triphenyl phosphite was used both as a solvent and condensing agent. The polycyclization occurred at a sufficiently low temperature of 210 °C for 2–5 h and resulted in obtaining film‐forming PODs having inherent viscosities up to 0.9 dL/g and good thermal stability. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 380–394, 2006
Nitroxide‐mediated radical polymerization of 2‐(dimethylamino)ethyl acrylate and its sequential block copolymerization with styrene and N‐butyl acrylate
Authors: Bian Kejian , Cunningham Michael F.
Published: November 2005

Nitroxide‐mediated radical polymerization (NMRP) of 2‐(dimethylamino)ethyl acrylate (DMAEA) was carried out at 100–120 °C, initiated by MONAMS, an alkoxyamine based on N‐tert‐butyl‐N‐(1‐diethyl phosphono‐2,2‐dimethylpropyl)nitroxide, SG1. Controlled polymerization can be achieved by the addition of free SG1 (the initial molar ratio of SG1 to MONAMS ranged from 0.06 to 0.12), giving a linear first‐order kinetic plot up to 55–70% conversion depending on the reaction conditions. The molecular weights show a near linear increase with conversion; however, they deviate to some extent with theoretical values. SG1‐mediated polymerization of DMAEA at 112 °C is also controlled in organic solvents (N,N‐dimethylformide, anisole, xylene). Polymerization rate increases with increasing solvent polarity. Chain transfer to polymer produces ∼1 mol % branches in bulk and 1.2–1.9 mol % in organic solvents, typical of those for acrylates. From poly(styrene) (pS) and poly(n‐butyl acrylate) (pBA) macroinitiators, amphiphilic di‐ and triblock copolymers p(S‐b‐DMAEA), p(DMAEA‐b‐S‐b‐DMAEA), p(BA‐b‐DMAEA), and p(DMAEA‐b‐BA‐b‐DMAEA) were synthesized via NMRP at 110 °C. Polymers were characterized by GPC, NMR, surface tension measurements, and DSC. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 414–426, 2006
Isoconversional method to explore the cure reaction mechanisms and curing kinetics of DGEBA/EMI‐2,4/nano‐SiC system
Authors: Zhou Tianle , Gu Mingyuan , Jin Yanping , Wang Junxiang
Published: November 2005

The curing kinetics of the diglycidyl ether of bisphenol‐A (DGEBA)/2‐ethyl‐4‐methylimidazole (EMI‐2,4)/nano‐sized carborundum (nano‐SiC) system was studied by means of nonisothermal differential scanning calorimetry (DSC). An isoconversional method of kinetic analysis yields a dependence of the effective activation energy E on the extent of conversion that decreases initially, and then increases as the cure reaction proceeds. The variations of E were used to study the cure reaction mechanisms, and the Shrinking Core Model was used to study the resin–particle reaction. The results show that the presence of nano‐SiC particles prevents the occurrence of vitrification, as well as inhibits the cure reaction. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 371–379, 2006
Synthesis and characterization of saccharide‐based latex particles
Authors: Imaz Ainara , Ayerbe Mirari , Ramos Jose , Forcada Jacqueline
Published: November 2005

The synthesis of new polymer colloids based on renewable resources, such as sugar‐derived monomers, is nowadays a matter of interest. These new polymeric particles should be useful in biomedical applications, such as drug delivery, because of their assumed biodegradability. In this work, two new families of polymer latex particles, based on a sugar‐derived monomer, 3‐O‐methacryloyl‐1,2:5,6‐di‐O‐isopropylidene‐α‐D‐glucofuranose (3‐MDG), were produced and characterized. The syntheses of poly(3‐MDG) crosslinked particles and those obtained by copolymerization with methacrylic acid (MAA), poly(3‐MDG‐co‐MAA) crosslinked particles, were prepared by surfactant‐free emulsion polymerization in a batch reactor. The average particle diameter evolutions, the effect of pH of the dispersion medium on the final average diameters, together with the microscopic and morphological analysis of the particle's surface and inner dominium, were analyzed. Poly(3‐MDG‐co‐EGDMA) stable particles were obtained by adding low amounts of initiator. The surface‐charge density of these particles corresponded to the sulfate groups coming from the initiator. In the second family of latices, poly(3‐MDG‐co‐MAA‐co‐EGDMA) particles, DCP measurements and SEM and TEM observations showed that the sizes and surface characteristics depended on the amounts of MAA and crosslinker used in the reaction mixture. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 443–457, 2006
Synthesis and polymerization reactions of cyclic imino ethers. I. Ring‐opening homopolyaddition of AB‐type hydroxyphenyl‐substituted 2‐oxazolines
Authors: Lustoň Jozef , Kronek Juraj , Böhme Frank
Published: November 2005

Homopolyaddition reactions of AB‐type monomers containing a 2‐oxazoline and a phenol group in different positions of the phenyl ring, namely, 2‐(4‐hydroxyphenyl)‐2‐oxazoline, 2‐(3‐hydroxyphenyl)‐2‐oxazoline, 2‐(2‐hydroxyphenyl)‐2‐oxazoline, and 2‐(4‐hydroxyphenyl)‐4,4‐dimethyl‐2‐oxazoline, were studied. Except for 2‐(4‐hydroxyphenyl)‐4,4‐dimethyl‐2‐oxazoline, the reaction carried out in bulk or a solution of highly boiling solvents resulted in the formation of poly(ether amide)s with molecular weights in the range of 103to 104as measured by vapor pressure osmometry and gel permeation chromatography. A mechanism of the growth reaction, including a nucleophilic attack of a phenol group to a 2‐oxazoline ring in the 5‐position, was suggested. The polymerization was accompanied by a side reaction of the amido groups formed by the primary reaction of the 2‐oxazoline ring. This led to branching of the main chain. The thermal properties of the prepared polymers were evaluated. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 343–355, 2006
Homo‐ and copolymerization of methyl methacrylate with ethylene by novel Ziegler‐Natta‐Type nickel catalysts based on N,O‐nitro‐substituted chelate ligands
Authors: Carlini Carlo , De Luise Valentina , Martinelli Marco , Galletti Anna Maria Raspolli , Sbrana Glauco
Published: November 2005

New Nickel (II) catalytic systems based on N,O chelate ligands, activated by methylaluminoxane, have been checked in the homopolymerization of methyl methacrylate (MMA) and its copolymerization with ethylene. In particular, the bis(8‐hydroxy‐5‐nitro‐quinolate)nickel(II)/methylaluminoxane system as well as the catalysts obtained by oxidative addition of either 8‐hydroxy‐5‐nitro‐quinoline or 8‐hydroxy‐5,7‐dinitro‐quinoline or 4‐nitro‐2‐(p‐nitrobenzylideneamino)‐phenol to Ni(cod)2, subsequently activated by methylaluminoxane, have been employed. The influence of the reaction parameters on the catalytic activity and the characteristics of the resulting polymers has been investigated. All the obtained poly(methyl methacrylate) samples display a largely prevailing syndiotacticity degree, high molecular weights and a rather large polydispersity. The catalytic systems obtained through the oxidative procedure are able also to give copolymers of MMA with ethylene producing highly linear polyethylenes containing a low amount (1.5–2 mol %) of MMA counits, thus affording materials with improved surface properties. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 620–633, 2006
Iron‐mediated atom transfer radical polymerization of styrene with tris(3,6‐dioxaheptyl) amine as a ligand
Authors: Wang Gang , Zhu Xinlin , Zhu Jian , Cheng Zhenping
Published: November 2005

The atom transfer radical bulk polymerization of styrene with FeX2 (X = Br or Cl)/tris(3,6‐dioxaheptyl) amine as the catalyst system was successfully implemented at 110 °C. The number‐average molecular weight of the polymers with a narrow molecular weight distribution (weight‐average molecular weight/number‐average molecular weight = 1.2–1.5) increased linearly with the monomer conversion and matched the predicted molecular weight. The polymerization rate, initiation efficiency, and molecular weight distribution were influenced by the selection of the initiator and iron halide. The high functionality of the halide end group in the obtained polymers was confirmed by both 1H NMR and a chain‐extension reaction. Because of its water solubility, the iron complexes could be removed easily from the reaction mixture through the washing of the polymerization mixture with water. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 483–489, 2006
Versatile and controlled synthesis of resorbable star‐shaped polymers using a spirocyclic tin initiator—Reaction optimization and kinetics
Authors: Odelius Karin , Finne Anna , Albertsson Ann‐Christine
Published: November 2005

A spirocyclic tin initiator was synthesized from pentaerythritol ethoxylate and dibutyltin oxide and used to polymerize L‐lactide with dichloromethane, chloroform, toluene, and chlorobenzene as solvents. The reactions were performed at different temperatures and it is concluded that neither the temperature nor the solvent affects the molecular weight or the molecular weight distribution of the star‐shaped polymers. The reaction rate was significantly increased by raising the reaction temperature or choosing a solvent with a low dielectric constant. All polymers showed a molecular‐weight distribution below 1.19 and a molecular‐weight determined by the initial monomer to initiator concentration ([M]0/[I]). No induction period was seen for the polymerizations. They were all first order in initiator and the degree of aggregation in toluene at 110 °C was found to be 4/5. The glass transition temperature and the melting temperature of the star‐shaped polymers increase with increasing arm length. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 596–605, 2006
Double hydrophilic block copolymers of sodium(2‐sulfamate‐3‐carboxylate)isoprene and ethylene oxide
Authors: Pispas Stergios
Published: November 2005

Poly(sodium(2‐sulfamate‐3‐carboxylate)isoprene)‐b‐poly(ethylene oxide) and poly(ethylene oxide)‐b‐poly(sodium(2‐sulfamate‐1‐carboxylate)isoprene)‐b‐poly(ethylene oxide) double hydrophilic block copolymers were prepared by selective post polymerization reaction of the polyisoprene block, of poly(isoprene‐b‐ethylene oxide) diblocks or poly(ethylene oxide‐b‐isoprene‐b‐ethylene oxide) triblock precursors, with N‐chlorosulfonyl isocyanate. The precursors were synthesized by anionic polymerization high vacuum techniques and had narrow molecular weight distributions and predictable molecular weights and compositions. The resulting double hydrophilic block copolymers were characterized by FTIR and potentiometric titrations in terms of the incorporated functional groups. Their properties in aqueous solutions were studied by viscometry and dynamic light scattering. The latter techniques revealed a complex dilute solution behavior of the novel block copolymers, resulting from the polyelectrolyte character of the functionalized PI block and showing a dependence on solution ionic strength and pH. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 606–613, 2006
Sizing effects on main relaxation process of cyanate ester glass fiber composites using dynamic mechanical and microthermal analyses
Authors: Mallarino S. , Chailan J. F. , Vernet J. L.
Published: November 2005

The influence of sizing/polymer interaction or interphase on dynamic mechanical relaxation properties of cyanate ester composites was investigated by means of dynamic mechanical analysis. The dynamic mechanical behavior of different samples (three types of composites with different sizing and neat resin) was analyzed by using two phenomenological models (TFV and WLF). Related coefficients such as C1, C2, and T∞ (Vogel temperature) were evaluated. Results have shown that these parameters were strongly dependent on sizing state, therefore, on interphase. In addition, the frequency dependence of the molecular relaxation process was well described by the Cole‐Cole plot. These results were confirmed by the sizing extract/resin blend study. Microthermal analysis has shown that partial miscibility existed between resin and sizing extract. Local thermal analyses were carried out by positioning the probe over selected regions: bulk resin and sizing/resin blend. A decrease in resin glass‐transition temperature was observed in the sizing resin blend. The different results have shown that a local plasticization of resin by sizing occurred with crosslink density modification. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 205–214, 2006
Development and initial validation of a family appraisal of caregiving questionnaire for palliative care
Authors: Cooper Brian , Kinsella Glynda J. , Picton Cliff
Published: November 2005

This article describes the derivation and initial psychometric validation of a multi‐dimensional Family Appraisal of Caregiving Questionnaire for Palliative Care (FACQ‐PC). The 25‐item measure consists of four theoretically derived subscales: (i) caregiver strain, (ii) positive caregiving appraisals, (iii) caregiver distress, and (iv) family well‐being. Based on a sample of 160 family caregivers of a relative with cancer receiving palliative care, reliability analyses demonstrated the subscale scores to be internally consistent and factor analysis revealed evidence of factorial validity. Correlations of the four subscales with measures of family functioning, positive and negative affect, and subjective burden provided evidence of convergent and discriminant validity. The FACQ‐PC provides a measure of the family's appraisal of caregiving that can be used in clinical assessment, and has potential utility for evaluating the effectiveness of palliative care interventions. Copyright © 2005 John Wiley & Sons, Ltd.
Supportive care needs: are patients with lung cancer a neglected population?
Authors: Li Jiong , Girgis Afaf
Published: November 2005

While the unmet supportive care needs are well documented for some groups of cancer patients, relatively little is known about the levels and types of needs of lung cancer patients. The study aims to compare the levels of lung cancer patients' psychosocial needs with those of other cancer patients. A total of 1492 consecutive patients in nine major public cancer treatment centres in New South Wales, Australia, were invited to participate in the Supportive Care Needs Study; 888 completed surveys were received. The mean number of unmet needs (out of a maximum of 59) reported by lung cancer patients was 15.6 (95% CI 12.1–19.1), compared to 10.9 (95% CI 10.0–11.8) in other cancer patients. The differences were mainly due to the fact that lung cancer patients reported a higher mean number of unmet psychological needs (7.6 versus 5.0) and physical and daily living unmet needs (2.8 versus 1.4), compared to the other cancer patients. Having a lung cancer diagnosis was an independent predictor of having a high level of psychological need (RR 2.00, 95%CI 1.13–3.56) and daily living need (RR 2.81, 95%CI 1.60–4.95), together with not being in remission, and receiving the cancer diagnosis more than two years previously. The results suggest that priority needs to be given to addressing the specific needs of this sub‐group of cancer survivors. Copyright © 2005 John Wiley & Sons, Ltd.
A randomized, controlled trial of mindfulness‐based art therapy (MBAT) for women with cancer
Authors: Monti Daniel A. , Peterson Caroline , Kunkel Elisabeth J. Shakin , Hauck Walter W. , Pequignot Edward , Rhodes Lora , Brainard George C.
Published: November 2005

The purpose of this study was to gather data on the efficacy of a newly developed psychosocial group intervention for cancer patients, called mindfulness‐based art therapy (MBAT). One hundred and eleven women with a variety of cancer diagnoses were paired by age and randomized to either an eight‐week MBAT intervention group or a wait‐list control group. Ninety‐three participants (84%) completed both the pre‐ and post‐study measurements. As compared to the control group, the MBAT group demonstrated a significant decrease in symptoms of distress (as measured by the Symptoms Checklist‐90‐Revised) and significant improvements in key aspects of health‐related quality of life (as measured by the Medical Outcomes Study Short‐Form Health Survey). This investigation of MBAT provides initial encouraging data that support a possible future role for the intervention as a psychosocial treatment option for cancer patients. Copyright © 2005 John Wiley & Sons, Ltd.
Body image and sexual problems in young women with breast cancer
Authors: Fobair Pat , Stewart Susan L. , Chang Subo , D'Onofrio Carol , Banks Priscilla J. , Bloom Joan R.
Published: November 2005

Purpose: The purpose of this study was to determine the frequency of body image and sexual problems in the first months after treatment among women diagnosed with breast cancer at age 50 or younger.

Background: Breast cancer treatment may have severe effects on the bodies of younger women. Surgical treatment may be disfiguring, chemotherapy may cause abrupt menopause, and hormone replacement is not recommended.

Methods: A multi‐ethnic population‐based sample of 549 women aged 22–50 who were married or in a stable unmarried relationship were interviewed within seven months of diagnosis with in situ, local, or regional breast cancer.

Results: Body image and sexual problems were experienced by a substantial proportion of women in the early months after diagnosis. Half of the 546 women experienced two or more body image problems some of the time (33%), or at least one problem much of the time (17%). Among sexually active women, greater body image problems were associated with mastectomy and possible reconstruction, hair loss from chemotherapy, concern with weight gain or loss, poorer mental health, lower self‐esteem, and partner's difficulty understanding one's feelings. Among the 360 sexually active women, half (52%) reported having a little problem in two or more areas of sexual functioning (24%), or a definite or serious problem in at least one area (28%). Greater sexual problems were associated with vaginal dryness, poorer mental health, being married, partner's difficulty understanding one's feelings, and more body image problems, and there were significant ethnic differences in reported severity.

Conclusions: Difficulties related to sexuality and sexual functioning were common and occurred soon after surgical and adjuvant treatment. Addressing these problems is essential to improve the quality of life of young women with breast cancer. Copyright © 2005 John Wiley & Sons, Ltd.
Optimism, social support and psychosocial functioning among women with breast cancer
Authors: Friedman Lois C. , Kalidas Mamta , Elledge Richard , Chang Jenny , Romero Catherine , Husain Inna , Dulay Mario F. , Liscum Kathleen R.
Published: November 2005

Personality, psychosocial, demographic and medical variables have been identified as correlates of adjustment to breast cancer and quality of life (QoL). Most studies have examined relationships between personality, social support and adjustment to cancer in predominantly middle‐class Caucasian samples, thus limiting the generalizability of their findings. Eighty‐one female outpatients at a medical oncology breast clinic in a county general hospital serving primarily indigent Hispanic and African‐American patients completed measures assessing demographic and medical information, health‐related QoL, cancer‐specific distress, mood disturbance, dispositional optimism and satisfaction with social support. Older age, receipt of treatment and greater optimism accounted for 41% of the variance in emotional well‐being (p<0.01). Absence of family history of breast cancer, receipt of treatment and optimism accounted for 43% of the variance in functional well‐being (p<0.01). Optimism and satisfaction with social support accounted for 43% of the variance in social/family well‐being (p<0.01). Absence of treatment (not yet treated) and pessimism accounted for 31% of the variance in cancer‐specific distress (p<0.01). Finally, family history of breast cancer and pessimism accounted for 48% of the variance in mood disturbance (p<0.001). Family history of breast cancer and pessimism were related to mood disturbance (p<0.001). No between‐group differences were found for race/ethnicity for any of the variables. Encouraging positive expectations and facilitating social support may help women in public sector medical settings cope with the stressful demands of diagnosis and treatment of breast cancer regardless of race/ethnicity. Copyright © 2005 John Wiley & Sons, Ltd.
Social constraints and spousal communication in lung cancer
Authors: Badr Hoda , Taylor Cindy L. Carmack
Published: November 2005

The Social Cognitive Processing Model suggests that talking with others facilitates cognitive and emotional processing of experiences such as cancer if the social context in which these discussions take place is supportive and positive. Despite this, patients and spouses may inadvertently constrain each other's attempts to process and cope with the disease. To our knowledge, no previous studies have directly examined the effect of lung cancer on the spousal relationship. We began to examine this effect by identifying the social constraints experienced by couples coping with lung cancer through semi‐structured interviews with 13 patients and 12 spouses. Using Grounded Theory methodology, our analyses showed that these couples experienced a wide variety of social constraints, including denial, avoidance, and conflict that can hinder open spousal communication. Specifically, patients and spouses reported trouble discussing continued tobacco use, cancer‐related symptoms, prognosis, and the emotional effects of lung cancer on the spouse. Despite these constraints, participants who reported talking with their partners about their relationships reported fewer constraints and better communication about cancer. These findings highlight the importance of a relationship perspective in the study of lung cancer and provide information about how talking together about the spousal relationship may enable couples to minimize social constraints and enhance cognitive and emotional processing of the disease. Copyright © 2005 John Wiley & Sons, Ltd.
Audience responses to a research‐based drama about life after breast cancer
Authors: Sinding Christina , Gray Ross , Grassau Pamela , Damianakis Falia , Hampson Ann
Published: November 2005

This article explores audience reactions to the research‐based drama Ladies in Waiting? Life After Breast Cancer. Quantitative findings indicate an overwhelmingly positive response, with approximately 90% of those who saw the production agreeing that they benefited from seeing it and indicating that they would recommend it to others. Qualitative data reveal a more complex picture of the range of reactions, allowing us to describe the most valued aspects of the production (mainly how it eased isolation and normalized the difficult aspects of survivorship) and to better understand the few reports of distress. Audience responses to Ladies in Waiting? suggest that chronic aspects of breast cancer are rarely acknowledged. Viewing the production as one that reveals difficult and hidden realities allows for a fuller understanding both of its supportive and unsettling effects. Copyright © 2005 John Wiley & Sons, Ltd.
Enthalpies of Formation and Reaction for Primary Reactions of Methyl‐ and Methylmethoxysilanes from Density Functional Theory
Authors: Casserly Thomas B. , Gleason Karen K.
Published: November 2005

Summary: The enthalpies of formation and enthalpies of reaction at 298 K for a set of Si:C:O:H species derived from methylsilanes and methylmethoxysilanes were computed using the B3LYP density functional theory. Total energies were calculated at the B3LYP/6‐311+G(3df,2p)//B3LYP/6‐311+G(d) level. Zero point energies and thermal corrections were calculated using B3LYP/6‐311+G(d)//B3LYP/6‐311+G(d) vibrational energies scaled by a factor of 0.96. The average absolute deviation of enthalpies of formation and reaction were 3.89 and 1.86 kcal/mol, respectively. Bond strengths and reactions with O atom and H atom are examined in the context of understanding the initial reactions in chemical vapor deposition. The SiH bond was calculated to be 8.4 kcal/mol stronger than the SiC bond in methylsilanes and to increase by 0.6 kcal/mol with increased methylation; however, the thermochemistry of methylsilane reactions with O atom favors scission of the SiH bond to produce hydroxyl and methylsilyl radicals. Thermodynamic control over the reaction pathways of methylmethoxysilanes is possible only when considering the reaction with H atom for which methylmethoxysilanol formation is favored. This illuminates a conceivable strategy to control the SiOSi bonding network while retaining methyl functionality in a CVD thin film by controlling the ratio of methoxy functionality and free hydrogen in the reactor. Density functional theory is a useful tool in understanding and subsequently controlling the initial chemistry in the CVD process.

Representation of the reaction of methyltrimethoxysilane with hydrogen atoms to produce the favored products, dimethylmethoxysilanol and methyl radicals.

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Representation of the reaction of methyltrimethoxysilane with hydrogen atoms to produce the favored products, dimethylmethoxysilanol and methyl radicals.
Diagnosis and Treatment of Intestinal Malabsorption in Cystic Fibrosis
Authors: Littlewood James M. , Wolfe Susan P. , Conway Steven P.
Published: November 2005

Intestinal malabsorption is severe and of early onset in virtually all people who have cystic fibrosis. The main cause is deficiency of pancreatic enzymes. Bicarbonate deficiency, abnormal bile salts, mucosal transport problems, motility differences, and anatomical structural changes are other contributory factors. Effective treatment should allow a normal to high‐fat diet to be taken, control symptoms, correct malabsorption, and achieve a normal nutritional state and growth. Appropriate pancreatic enzyme replacement therapy will achieve normal or near‐normal absorption in most people with cystic fibrosis. Early identification and treatment of intestinal malabsorption is critical to achieving optimal nutritional status. The occurrence of fibrosing colonopathy in a few patients on very high doses of those enzymes which have the copolymer Eudragit L30 D55 in their covering resulted in guidelines in the UK to avoid doses equivalent to more than 10,000 IU lipase per kg per day, and also to avoid preparations containing this copolymer in children and adolescents. For patients not responding to 10,000 IU lipase per kg per day review of adherence to treatment, change of enzyme preparation, variation in time of administration, and reduction in gastric acid may improve absorption. The importance of early investigation to exclude other gastrointestinal disorders as a cause of the patient's symptoms, rather than merely increasing the dose of enzymes, is stressed. With modern pancreatic enzymes in doses up to or only slightly in excess of 10,000 IU lipase per kg per day, adequate control of gastrointestinal symptoms and absorption can be achieved, and a normal nutritional state and growth rate maintained in most people with cystic fibrosis. Pediatr Pulmonol. © 2005 Wiley‐Liss, Inc.
Clinical and Technical Factors Affecting pH and Other Biomarkers in Exhaled Breath Condensate
Authors: Leung Ting F. , Li Chung Y. , Yung Edmund , Liu Eric K.H. , Lam Christopher W.K. , Wong Gary W.K.
Published: November 2005

Exhaled breath condensate (EBC) pH appears to be a robust measure of asthma. However, the association between EBC pH and clinical factors and airway inflammatory markers remains unclear. The objectives of this study were to investigate the factors determining EBC pH in asthmatic children, and the reproducibility and effects of collection devices on EBC pH in nine healthy, nonsmoking adults. EBC was collected once from asthmatic children using EcoScreen, and from adults over 3 consecutive days using both RTubes and EcoScreen. EBC pH was measured immediately in non‐deaerated samples by microelectrode pH meter. Concentrations of 8‐isoprostane, cysteinyl leukotrienes (cys‐LT), and leukotriene B4 (LTB4) were measured using enzyme immunoassay. Exhaled nitric oxide concentration (FeNO) was measured by chemiluminescence. Fifty‐eight asthmatics (16 intermittent, 12 mild persistent, and 30 moderate‐to‐severe persistent) were recruited. EBC pH was lower among patients with moderate‐to‐severe persistent than intermittent asthma (P = 0.046). This marker correlated inversely with disease severity score (ρ = −0.276, P = 0.036), but not FeNO or other EBC biomarkers. Bland‐Altman analyses found pH but not other EBC biomarkers to be reproducible, which were confirmed by its low coefficient of variation (2.7%; range, 0.4–5.2%). There was poor correlation between pH in EBC collected by RTube and EcoScreen (ρ = 0.059, P = 0.784). Factor analysis selected four factors that explained 67.5% of the total variance, and EBC pH clustered with both cys‐LT and LTB4. In conclusion, our results suggest that pH in non‐deaerated EBC is influenced by asthma severity in children. EBC pH measurement is reproducible, but is dependent on the collection devices used. Pediatr Pulmonol. © 2005 Wiley‐Liss, Inc.
Lung Function Tests in Neonates and Infants with Chronic Lung Disease: Forced Expiratory Maneuvers
Authors: Lum Sooky , Hülskamp Georg , Merkus Peter , Baraldi Eugenio , Hofhuis Ward , Stocks Janet
Published: November 2005

This fourth paper in a review series on the role of lung function testing in infants and young children with acute neonatal disorders and chronic lung disease of infancy (CLDI) addresses measurements of forced expiration using rapid thoraco‐abdominal compression (RTC) techniques and the forced deflation technique. Following orientation of the reader to the subject area, we focus our comments on the areas of inquiry proposed in the introductory paper to this series. The quality of the published literature is reviewed critically, and recommendations are provided to guide future investigation in this field. All studies on infants and young children with CLDI using forced expiratory or deflation maneuvers demonstrated that forced flows at low lung volume remain persistently low through the first 3 years of life. Measurement of maximal flow at functional residual capacity (V′maxFRC) is the most commonly used method for assessing airway function in infants, but is highly dependent on lung volume and airway tone. Recent studies suggested that the raised volume RTC technique, which assesses lung function over an extended volume range as in older children, may be a more sensitive means of discriminating changes in airway function in infants with respiratory disease. The forced deflation technique allows investigation of pulmonary function during the early development of CLDI in intubated subjects, but its invasive nature precludes its use in the routine setting. For all techniques, there is an urgent need to establish suitable reference data and evaluate within‐ and between‐occasion repeatability, prior to establishing the clinical usefulness of these techniques in assessing baseline airway function and/or response to interventions in subjects with CLDI. Pediatr Pulmonol. © 2005 Wiley‐Liss, Inc.
Molecular dynamics study on the folding and metallation of the individual domains of metallothionein
Authors: Rigby Kelly E. , Chan Jayna , Mackie Jason , Stillman Martin J.
Published: November 2005

De novo synthesis of metallothionein (MT) initially forms the metal‐free protein, which must, in a posttranslational reaction, coordinate metal ions via the cysteine sulfur ligands to form the fully folded protein structure. In this article, we use molecular dynamics (MD) and molecular mechanics (MM) to investigate the metal‐dependent folding steps of the individual domains of recombinant human metallothionein (MT). The divalent metals were removed sequentially from the metal‐sulfur M4(Scys)11and M3(Scys)9clusters within the α‐ and β‐ domains of MT, respectively, after protonation of the previously coordinating sulfurs. With each of the four (α) or three (β) sites defined, an order of metal release could be determined on the basis of a comparison of the strain energies for each combination by selecting the lowest energy demetallated conformations. The effect of an additional noninteracting, 34‐residue peptide sequence on the demetallation order was assessed when bound to either the N‐ or C‐termini of the individual domain fragments to identify the differences in cluster stability between one‐ and two‐domain proteins. The N‐terminal‐bound peptide had no effect on the order of metal removal; however, addition to the C‐terminus significantly altered the sequence. The number of hydrogen bonds was calculated for each energy‐minimized demetallated structure and was increased on metal removal, indicating a possible stabilization mechanism for the protein structure via a hydrogen‐bonding network. On complete demetallation, the cysteinyl sulfurs were shown to move to the exterior surface of the peptide chain. Proteins 2006. © 2005 Wiley‐Liss, Inc.
Optimization of multiple‐sequence alignment based on multiple‐structure alignment
Authors: Shatsky Maxim , Nussinov Ruth , Wolfson Haim J.
Published: November 2005

Routinely used multiple‐sequence alignment methods use only sequence information. Consequently, they may produce inaccurate alignments. Multiple‐structure alignment methods, on the other hand, optimize structural alignment by ignoring sequence information. Here, we present an optimization method that unifies sequence and structure information. The alignment score is based on standard amino acid substitution probabilities combined with newly computed three‐dimensional structure alignment probabilities. The advantage of our alignment scheme is in its ability to produce more accurate multiple alignments. We demonstrate the usefulness of the method in three applications: 1) computing more accurate multiple‐sequence alignments, 2) analyzing protein conformational changes, and 3) computation of amino acid structure‐sequence conservation with application to protein–protein docking prediction. The method is available athttp://bioinfo3d.cs.tau.ac.il/staccato/. Proteins 2006. © 2005 Wiley‐Liss, Inc.
Modeling evolution of hydrogen bonding and stabilization of transition states in the process of cocaine hydrolysis catalyzed by human butyrylcholinesterase
Authors: Gao Daquan , Zhan Chang‐Guo
Published: November 2005

Molecular dynamics (MD) simulations and quantum mechanical/molecular mechanical (QM/MM) calculations were performed on the prereactive enzyme‐substrate complex, transition states, intermediates, and product involved in the process of human butyrylcholinesterase (BChE)‐catalyzed hydrolysis of (−)‐cocaine. The computational results consistently reveal a unique role of the oxyanion hole (consisting of G116, G117, and A199) in BChE‐catalyzed hydrolysis of cocaine, compared to acetylcholinesterase (AChE)‐catalyzed hydrolysis of acetylcholine. During BChE‐catalyzed hydrolysis of cocaine, only G117 has a hydrogen bond with the carbonyl oxygen (O31) of the cocaine benzoyl ester in the prereactive BChE‐cocaine complex, and the NH groups of G117 and A199 are hydrogen‐bonded with O31 of cocaine in all of the transition states and intermediates. Surprisingly, the NH hydrogen of G116 forms an unexpected hydrogen bond with the carboxyl group of E197 side chain and, therefore, is not available to form a hydrogen bond with O31 of cocaine in the acylation. The NH hydrogen of G116 is only partially available to form a weak hydrogen bond with O31 of cocaine in some structures involved in the deacylation. The change of the estimated hydrogen‐bonding energy between the oxyanion hole and O31 of cocaine during the reaction process demonstrates how the protein environment can affect the energy barrier for each step of the BChE‐catalyzed hydrolysis of cocaine. These insights concerning the effects of the oxyanion hole on the energy barriers provide valuable clues on how to rationally design BChE mutants with a higher catalytic activity for the hydrolysis of (−)‐cocaine. Proteins 2006. © 2005 Wiley‐Liss, Inc.
Crystal structure of ScpB from Chlorobium tepidum, a protein involved in chromosome partitioning
Authors: Kim Jeong‐Sun , Shin Dong Hae , Pufan Ramona , Huang Candice , Yokota Hisao , Kim Rosalind , Kim Sung‐Hou
Published: November 2005

Structural maintenance of chromosome (SMC) proteins are essential in chromosome condensation and interact with non‐SMC proteins in eukaryotes and with segregation and condensation proteins (ScpA and ScpB) in prokaryotes. The highly conserved gene in Chlorobium tepidum gi 21646405 encodes ScpB (ScpB_ChTe). The high resolution crystal structure of ScpB_ChTe shows that the monomeric structure consists of two similarly shaped globular domains composed of three helices sided by β‐strands [a winged helix‐turn‐helix (HTH)], a motif observed in the C‐terminal domain of Scc1, a functionally related eukaryotic ScpA homolog, as well as in many DNA binding proteins. Proteins 2006. © 2005 Wiley‐Liss, Inc.
A chemogenomic analysis of the transmembrane binding cavity of human G‐protein‐coupled receptors
Authors: Surgand Jean‐Sebastien , Rodrigo Jordi , Kellenberger Esther , Rognan Didier
Published: November 2005

The amino acid sequences of 369 human nonolfactory G‐protein‐coupled receptors (GPCRs) have been aligned at the seven transmembrane domain (TM) and used to extract the nature of 30 critical residues supposed—from the X‐ray structure of bovine rhodopsin bound to retinal—to line the TM binding cavity of ground‐state receptors. Interestingly, the clustering of human GPCRs from these 30 residues mirrors the recently described phylogenetic tree of full‐sequence human GPCRs (Fredriksson et al., Mol Pharmacol2003;63:1256–1272) with few exceptions. A TM cavity could be found for all investigated GPCRs with physicochemical properties matching that of their cognate ligands. The current approach allows a very fast comparison of most human GPCRs from the focused perspective of the predicted TM cavity and permits to easily detect key residues that drive ligand selectivity or promiscuity. Proteins 2006. © 2005 Wiley‐Liss, Inc.
Nurturing a strong process safety culture
Authors: Kadri Shakeel H. , Jones David W.
Published: November 2005

Process safety management introduced a formal, structured, management systems approach to accident prevention that represented a “step change” improvement in identifying and reducing the potential for major process plant accidents. Although the process safety management elements have proven effective, the overall sustainability remains a challenge. This paper highlights the importance of a strong process safety culture that is needed to sustain a strong process safety performance. We use the Columbia Shuttle disaster incident as a backdrop to focus the attention on the significance of not having an optimal “Safety Culture.” Examples have been included from our industry to further exemplify its broad applicability. The paper proposes an approach that will help organizations to self‐assess the state of the process safety culture in their organizations, which can be an aid in their ongoing cultural improvement effort. Four important cultural themes are identified and described: (1) Create awareness and buy‐in about process safety culture themes, (2) adapt process safety culture themes to your company experience, (3) use suggested indicators to identify specific areas of improvement, and (4) develop a strategic improvement plan to strengthen and sustain process safety culture. © 2005 American Institute of Chemical Engineers Process Saf Prog, 2006