bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and properties of a cyanate ester containing dicyclopentadiene(II)
Authors: Shieh Jeng‐Yueh , Hwang Hann‐Jang , Yang Shih‐Peng , Wang Chun‐Shan 
Published: December 2004

AbstractA 2,6‐dimethyl phenol‐dicyclopentadiene novolac (DCPDNO) was synthesized from dicyclopentadiene and 2,6‐dimethyl phenol, and the resultant DCPDNO was reacted with cyanogen bromide into 2,6‐dimethyl phenol‐dicyclopentadiene cyanate ester (DCPDCY). The structures of the novolac and cyanate ester were confirmed with Fourier transform infrared spectroscopy, elemental analysis, mass spectrometry (MS), and nuclear magnetic resonance. For the purpose of increasing the mobility of residual DCPDCY during the final stage of curing and achieving a complete reaction of cyanate groups, a small quantity of a monofunctional cyanate ester, 4‐tert‐butylphenol cyanate ester (4TPCY), was added to DCPDCY to form the cyanate ester copolymer. The synthesized DCPDCY was then cured with 4TPCY at various molar ratios. The thermal properties of the cured cyanate ester resins were studied with dynamic mechanical analysis, dielectric analysis, and thermogravimetric analysis. These data were compared with those of the commercial bisphenol A cyanate ester system. Compared with the bisphenol A cyanate ester system, the cured DCPDCY resins exhibited lower dielectric constants (2.52–2.67 at 1 GHz), dissipation factors (0.0054–0.0087 at 1 GHz), glass‐transition temperatures (261–273 °C), thermal stability (5% degradation temperature at 406–450 °C), thermal expansion coefficients (4.8–5.78 × 10−5/°C before the glass‐transition temperature), and moisture absorption (0.8–1.1%). © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 671–681, 2005
The ConSurf‐HSSP database: The mapping of evolutionary conservation among homologs onto PDB structures
Authors: Glaser Fabian , Rosenberg Yossi , Kessel Amit , Pupko Tal , Ben‐Tal Nir 
Published: December 2004

AbstractThe HSSP (Homology‐Derived Secondary Structure of Proteins) database provides multiple sequence alignments (MSAs) for proteins of known three‐dimensional (3D) structure in the Protein Data Bank (PDB). The database also contains an estimate of the degree of evolutionary conservation at each amino acid position. This estimate, which is based on the relative entropy, correlates with the functional importance of the position; evolutionarily conserved positions (i.e., positions with limited variability and low entropy) are occasionally important to maintain the 3D structure and biological function(s) of the protein. We recently developed the Rate4Site algorithm for scoring amino acid conservation based on their calculated evolutionary rate. This algorithm takes into account the phylogenetic relationships between the homologs and the stochastic nature of the evolutionary process. Here we present the ConSurf‐HSSP database of Rate4Site estimates of the evolutionary rates of the amino acid positions, calculated using HSSP's MSAs. The database provides precalculated evolutionary rates for nearly all of the PDB. These rates are projected, using a color code, onto the protein structure, and can be viewed online using the ConSurf server interface. To exemplify the database, we analyzed in detail the conservation pattern obtained for pyruvate kinase and compared the results with those observed using the relative entropy scores of the HSSP database. It is reassuring to know that the main functional region of the enzyme is detectable using both conservation scores. Interestingly, the ConSurf‐HSSP calculations mapped additional functionally important regions, which are moderately conserved and were overlooked by the original HSSP estimate. The ConSurf‐HSSP database is available online (http://consurf‐hssp.tau.ac.il). Proteins 2005. © 2004 Wiley‐Liss, Inc.
A detailed unfolding pathway of a (β/α)8‐barrel protein as studied by molecular dynamics simulations
Authors: Akanuma Satoshi , Miyagawa Hiroh , Kitamura Kunihiro , Yamagishi Akihiko 
Published: December 2004

AbstractThe (β/α)8‐barrel is the most common protein fold. Similar structural properties for folding intermediates of (β/α)8‐barrel proteins involved in tryptophan biosynthesis have been reported in a number of experimental studies; these intermediates have the last two β‐strands and three α‐helices partially unfolded, with other regions of the polypeptide chain native‐like in conformation. To investigate the detailed folding/unfolding pathways of these (β/α)8‐barrel proteins, temperature‐induced unfolding simulations of N‐(5′‐phosphoribosyl)anthranilate isomerase from Escherichia coli were carried out using a special‐purpose parallel computer system. Unfolding simulations at five different temperatures showed a sequential unfolding pathway comprised of several events. Early events in unfolding involved disruption of the last two strands and three helices, producing an intermediate ensemble similar to those detected in experimental studies. Then, denaturation of the first two βα units and separation of the sixth strand from the fifth took place independently. The remaining central βαβαβ module persisted the longest during all simulations, suggesting an important role for this module as the incipient folding scaffold. Our simulations also predicted the presence of a nucleation site, onto which several hydrophobic residues condensed forming the foundation for the central βαβαβ module. Proteins 2005. © 2004 Wiley‐Liss, Inc.
Improvement in crystalline perfection, piezo‐electric property and optical transparency of in‐situ poled Fe–LiNbO3 single crystals by post growth annealing and poling
Authors: Budakoti G. C. , Kumar B. , Bhagavannarayana G. , Soni N. C. 
Published: December 2004

AbstractCrystalline perfection, piezoelectric response and optical transparency of in‐situ poled Fe–LiNbO3 single crystals was studied. Very low angle grain boundaries and the variations in the piezoelectric charge constant d33 were observed in the as‐grown crystals. Grain boundaries were successfully removed at higher annealing temperatures but the d33 value was decreased. Low crystalline perfection and d33 were observed after poling the annealed specimen. These parameters were improved by low temperature annealing followed by very slow cooling. FTIR spectra revealed that OH– and CO32– ionic defects were present in the as‐grown crystals. The OH– ion concentration was reduced, CO32– ions were removed and optical quality was improved after annealing at higher temperatures. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A data integration framework to support Triad projects
Authors: Mack Jim , Crumbling Deana M. , Ellerbusch Fred 
Published: December 2004

AbstractCost‐effective and efficient site remediation and scientifically defensible decisions require site characterizations that are representative of site conditions. The Triad conceptual site model (CSM) is at the center of a continually improving site characterization process that begins during systematic planning and ends after the last data are developed. To gain the full benefit and greatest cost‐effectiveness, the process of CSM refinement should be performed in real time. Thus, the use of collaborative data is critical for evolving and maturing the CSM. In the field, through the use of all available data that are of known quality, a skilled and experienced field team can collect sufficient site information to mature the CSM in a timely manner. To facilitate the planning and execution of such a process, an easily understandable framework is needed to structure data quality that supports scientifically defensible decisions and efficient projects. This article explores such a framework. © 2004 Wiley Periodicals, Inc.
Triad case study: Rattlesnake Creek
Authors: Johnson Robert L. , Durham Lisa A. , Rieman Craig R. , Hummel Janna E. 
Published: December 2004

AbstractThe U.S. Army Corps of Engineers (US ACE) is responsible for conducting the cleanup of radiological contaminated properties as part of the Formerly Utilized Sites Remedial Action Program. One property is the Rattlesnake Creek (RSC) portion of the Ashland sites. The RSC stream sediments are contaminated with thorium‐230, radium‐226, and uranium. The US ACE is closing RSC using protocols contained within the Multi‐Agency Radiation Survey and Site Investigation Manual (MARSSIM). At RSC, the US ACE developed site‐specific derived concentration guideline level (DCGL) cleanup requirements consistent with the MARSSIM guidance. Because of uncertainty about the distribution of contamination within the creek, the US ACE used the Triad approach to collect data and design remedial actions. Systematic planning helped target the areas of concern, develop a conceptual site model, and identify data gaps to be addressed before remediation plans were finalized. Preremediation sampling and analysis plans were designed to be explicitly consistent with final status survey requirements, allowing data sets to support both excavation planning needs and closure requirements in areas where contamination was not encountered above DCGL standards. Judicious use of real‐ time technologies such as X‐ray fluorescence and gamma walkover surveys minimized expensive off‐ site alpha spectrometry analyses, and at the same time provided the ability to respond to unexpected field conditions. © 2004 Wiley Periodicals, Inc.
Historical analysis of monitored natural attenuation: A survey of 191 chlorinated solvent sites and 45 solvent plumes
Authors: McGuire Travis M. , Newell Charles J. , Looney Brian B. , Vangelas Karen M. , Sink Claire H. 
Published: December 2004

AbstractA survey of experts in the application of natural attenuation was conducted to better understand how monitored natural attenuation (MNA) is being applied at chlorinated solvent sites. Thirty‐four remediation professionals provided general information for 191 sites where MNA was evaluated, and site‐specific data for 45 chlorinated solvent plumes being remediated by MNA. Respondents indicated that MNA was precluded as a remedy at only 23 percent of all sites where evaluated as a remedial option. Leading factors excluding MNA as a remedial approach were the presence of an expanding plume and an unreasonably long estimated remediation time frame. MNA is being used as the sole remedy at about 30 percent of the sites, and 33 percent are implementing MNA in conjunction with source zone remediation. The remaining sites are implementing MNA with plume remediation (13 percent), source containment (9 percent), or some other strategy (16 percent). © 2004 Wiley Periodicals, Inc.
Sequential Synthesis of Type II Colloidal CdTe/CdSe Core–Shell Nanocrystals
Authors: Yu Kui , Zaman Badruz , Romanova Svetlana , Wang Da‐shan , Ripmeester John A. 
Published: December 2004

AbstractColloidal type II CdTe/CdSe nanocrystals were synthesized by sequential addition of a tri‐n‐octylphosphine telluride (TOPTe)/TOP solution and several shell‐precursor solutions to a CdO/TOP solution; the shell‐precursor solutions consisted of CdO and TOPSe in TOP. For the growth of the CdTe core, the TOPTe/TOP solution was swiftly added to the CdO/TOP solution at a higher temperature (300 °C) than the growth temperature (250 °C). For the growth of the CdSe shell, in contrast, the CdO/TOPSe/TOP solution was slowly added to the CdTe/TOP solution at a lower temperature than the growth temperature (200–240 °C). The temporal evolution of the optical properties of the growing core–shell nanocrystals was monitored in detail. During the growth of the CdSe shell, the core–shell nanocrystals exhibited interesting changes in photoluminescence (PL) properties. The highest PL efficiency (≈38 %) was detected from core–shell nanocrystals with a CdSe shell thickness of 0.4–0.5 nm (indicated by TEM); the formation of the first monolayer is proposed. Our synthetic approach is well suited to a practical realization of engineering materials with bandgaps in the near‐IR and IR spectral ranges.
Comparison of periodontal disease status of adults in two untreated indigenous populations of Guatemala, Central America
Authors: Dowsett S. A. , Eckert G. J. , Kowolik M. J. 
Published: December 2004

AbstractObjective:  To compare the periodontal disease levels of two distinct indigenous populations of Guatemala, Central America, to determine whether differences exist.Material and methods: Cross‐sectional studies were performed in adults from the communities of San Juan La Laguna, SJLL (n = 125) and Tzununa (n = 54). In both cases, full‐mouth pocket probing depths (PPDs) and clinical attachment levels (CALs) were measured by a single examiner, and the same examiner was employed in both studies. Recession at each site was derived from PPD and CAL measures.Results: Tooth number did not differ significantly between SJLL and Tzununa (28.0 and 27.2, respectively). With respect to periodontal disease status, the percentage of sites with PPD ≥ 5, 6 and 7 mm did not differ significantly, although mean PPD was significantly greater in the Tzununa sample (P = 0.01). Mean CAL and percentage of sites with CAL ≥ 4, 5, 6 and 7 mm was significantly greater in SJLL than in Tzununa (P < 0.005) and the difference increased with age. Mean recession was also significantly greater in SJLL than Tzununa (P < 0.005), as was the percentage of sites with recession ≥ 3 mm (P = 0.02), 4 mm (P = 0.002) and 5 mm (P = 0.008).Conclusion: The disease levels differed between these two indigenous Guatemalan communities. Whether this has a primarily environmental or genetic basis remains to be elucidated.
Immunohistochemical analysis of cytokeratin and human milk fat globulin expression in mucinous carcinoma ofthe skin
Authors: Ohnishi Takamitsu , Takizawa Hajime , Watanabe Shinichi 
Published: December 2004

Background:  Mucinous carcinoma of the skin (MCS) is a rare epithelial tumor which arises primarily in the skin. Metastatic MC from extracutaneous sites, especially breast or colon, mimics MCS and cannot be differentiated from MCS by routine histology alone.Methods:  Nine cases of MCS were analyzed immunohistochemically using monoclonal antibodies against cytokeratins (CKs) and human milk fat globulin 1 (HMFG) in order to clarify their nature and compare the immunophenotypes with those of other MCs studied in the literature.Results:  Expression of simple epithelial CKs in most of the tumor cells of all cases studied and co‐expression of simple and stratified epithelial CKs in some tumor cells of two cases were recognized. CK 20 expression could not detected in any tumor cells. Focal HMFG expression in the luminal or outer surface of the nests was observed in three cases.Conclusion:  From CKs expression, MCS was speculated to differentiated mainly toward the secretory cells of the sweat glands, and some tumor cells toward the transient portion between the dermal duct and the secretory portion. Focal HMFG expression suggested either a consequence of malignant transformation or apocrine differentiation. No expression of CK 20 in MCS suggests that we may exclude the diagnosis of metastatic colorectal MC which expressed CK 20.
Uplift, exhumation and precipitation: tectonic and climatic control of Late Cenozoic landscape evolution in the northern Sierras Pampeanas, Argentina
Authors: Sobel Edward R. , Strecker Manfred R. 
Published: December 2004

AbstractDeciphering the evolution of mountain belts requires information on the temporal history of both topographic growth and erosion. The exhumation rate of a mountain range undergoing shortening is related to the erodability of the uplifting range as well as the efficiency of erosion, which partly depends on the available precipitation. Young, rapidly deposited sediments have low thermal conductivity and are readily eroded, in contrast to underlying resistant basement rocks that have a higher thermal conductivity. Apatite fission‐track thermochronology can quantify cooling; thermal models constrain the relationship between this cooling and exhumation. By utilizing geological relations for a datum, we can examine the evolution of rock uplift, surface uplift and exhumation. In the northern Sierras Pampeanas of Argentina, a young sedimentary basin that overlay resistant crystalline basement prior to rapid exhumation provides an ideal setting to examine the effect of contrasting thermal and erosional regimes. There, tectonically active reverse‐fault‐bounded blocks partly preserve a basement peneplain at elevations in excess of 4500 m. Prior to exhumation, the two study areas were covered by 1000 and 1600 m of recently deposited sediments; this sequence begins with shallow marine deposits immediately overlying the regional erosion surface. Apatite fission‐track data were obtained from vertical transects in the Calchaquíes and Aconquija ranges. At Cumbres Calchaquíes, erosion leading to the development of the peneplain commenced in the Cretaceous, probably as a result of rift‐shoulder uplift. In contrast, Sierra Aconquija cooled rapidly between 5.5 and 4.5 Myr. At the onset of this rapid exhumation, the sediment was quickly removed, causing fast cooling, but relatively slow rates of surface uplift. Syntectonic conglomerates were produced when faulting exposed resistant bedrock; this change in rock erodability led to enhanced surface uplift rates, but decreased exhumation rates. The creation of an orographic barrier after the range had attained sufficient elevation further decreased exhumation rates and increased surface uplift rates. Differences in the magnitude of exhumation at the two transects are related to both differences in the thickness of the sedimentary basin prior to exhumation and differences in the effective precipitation due to an orographic barrier in the foreland and hence differences in the magnitude of headward erosion.
Normal fault growth and early syn‐rift sedimentology and sequence stratigraphy: Thal Fault, Suez Rift, Egypt
Authors: Young Mike J. , Gawthorpe Rob. L. , Sharp Ian R. 
Published: December 2004

AbstractThis paper investigates the tectono‐stratigraphic development of a major, segmented rift border fault (Thal Fault) during ca. 6 Myr of initial rifting in the Suez Rift, Egypt. The Thal Fault is interpreted to have evolved by the progressive linkage of at least four fault segments. We focus on two contrasting structural settings in its hangingwall: Gushea, towards the northern tip of the fault, and Musaba Salaama, ca. 20 km along‐strike to the south, towards the centre of the fault. The early syn‐rift stratigraphic succession passes upwards from continental facies, through a condensed marginal marine shell‐rich facies, into fully marine shoreface sandstone and offshore mudstone. Regionally correlatable stratal surfaces within this succession define time‐equivalent stratal units that exhibit considerable along‐strike variability in thickness and facies architecture. During the initial ca. 6 Myr of rifting, the thickest stratigraphy developed towards the centre of the array of fault segments that subsequently hard linked to form the Thal Fault. Thus, a displacement gradient existed between fault segments at the centre and tip of the fault array, suggesting that the fault segments interacted, and a fixed length was established for the fault array, at an early stage in rifting. Towards the centre of the Thal Fault the early syn‐rift succession shows pronounced thickening away from the fault and towards a series of intra‐block antithetic faults that were active for up to ca. 6 Myr. This indicates that a large proportion of fault‐controlled subsidence during the initial ca. 6 Myr of rifting occurred in the hangingwalls of antithetic intra‐block faults, and not the present‐day Thal Fault. The antithetic faults progressively switched off during rifting such that after ca. 6 Myr of rifting, fault‐activity had localised on the Thal Fault enabling it to accrue to the present‐day high level of displacement. Aspects of the development of the Thal Fault appear to be in contrast to many models of fault evolution that predict large‐displacement rift‐climax faults to have always had the greatest displacement during fault population evolution. This study has implications for tectono‐stratigraphic development during early rift basin evolution. In particular, we stress that caution must be taken when relating final rift‐climax fault structure to the early tectono‐stratigraphy, as these may differ considerably.
Stratigraphic signatures of translation of thrust‐sheet top basins over low‐angle detachment faults
Authors: Clevis Quintijn , De Jager Gerben , Nijman Wouter , De Boer Poppe L. 
Published: December 2004

Abstract Low‐angle detachment faults and thrust‐sheet top basins are common features in foreland basins. However, in stratigraphic analysis their influence on sequence architecture is commonly neglected. Usually, only eustatic sea level and changing flexural subsidence are accounted for, and when deformation is considered, the emphasis is on the generation of local thrust‐flank unconformities. This study analyses the effects of detachment angle and repetitive detachment activation on stratigraphic stacking patterns in a large thrust‐sheet top basin by applying a three‐dimensional numerical model.Model experiments show that displacement over low‐angle faults (2–6°) at moderate rates (∼5.0 m kyr−1) results in a vertical uplift component sufficient to counteract the background flexural subsidence rate. Consequently, the basin‐wide accommodation space is reduced, fluvio‐deltaic systems carried by the thrust‐sheet prograde and part of the sediment supply is spilled over towards adjacent basins. The intensity of the forced regression and the interconnectedness of fluvial sheet sandstones increases with the dip angle of the detachment fault or rate of displacement. In addition, the delta plain is susceptible to the formation of incised valleys during eustatic falls because these events are less compensated by regional flexural subsidence, than they would be in the absence of fault displacement.
Single‐centre experience with allogeneic bone marrow transplantation for acute lymphoblastic leukaemia in childhood: similar survival after matched‐related and matched‐unrelated donor transplants
Authors: Al‐Kasim F. A. , Thornley I. , Rolland M. , Lau W. , Tsang R. , Freedman M. H. , Saunders E. F. , Calderwood S. , Doyle J. J. 
Published: December 2004

Summary. Seventy percent of children with acute lymphoblastic leukaemia (ALL) who may benefit from bone marrow transplant (BMT) lack a human leucocyte antigen (HLA)‐matched related donor (MRD). For these children, BMT from a matched unrelated donor (MUD) represents a therapeutic option. We reviewed the course of 62 children with ALL who received fully matched marrow allografts at our institution between 1990 and 1998: 36 with MRDs and 26 with MUDs. Clinical characteristics were similar in the two groups. The interval from attainment of pre‐BMT complete remission to transplant was significantly longer in the MUD group. Conditioning (etoposide/total body irradiation) and graft‐versus‐host disease (GVHD) prophylaxis regimens were the same for all patients, and all received T cell‐replete bone marrow. There was no significant difference in probability of engraftment, or time to engraftment, in the two groups. MUD BMT recipients had a significantly greater incidence of grade II–IV acute GVHD (58% versus 24% in the MRD group; P= 0·02), and demonstrated a trend towards more chronic GVHD (39% versus 15%;	P= 0·06). Three years post BMT, the probabilities of transplant‐related mortality were 33 ± 11% and 20 ± 8% in MUD and MRD groups respectively (P = 0·38); the probabilities of relapse were 28 ± 12% and 41 ± 9% respectively (P = 0·19). Lansky or Karnofsky performance scores in event‐free survivors were 90–100 in 87% of the MUD group and 83% of the MRD group. With a median follow up of 38 months (range, 3–97), 3‐year event‐free survival was 49 ± 11% and 47 ± 9% in the MUD and MRD BMT groups respectively (P = 0·71). These results suggest that MUD BMT is a valuable therapy for children with ALL in whom BMT is indicated, and underscore the importance of efforts aimed at expediting unrelated donor searches for patients lacking a MRD.