bluuebunny/crossref_metadata_2025 huggingface dataset:
M&A without a map: For daredevils only!
Authors: Hightower Rose
Published: July 2009

Would you buy a computer or dishwasher without an instruction manual? No? Then you shouldn't attempt a merger‐and‐acquisition (M&A) deal without a map—which means having good documentation. © 2009 Wiley Periodicals, Inc.
Prostaglandin E2 inhibits the proliferation of human gingival fibroblasts via the EP2 receptor and Epac
Authors: Weinberg Evgeny , Zeldich Ella , Weinreb Max M. , Moses Ofer , Nemcovsky Carlos , Weinreb Miron
Published: July 2009

Elevated levels of prostaglandins such as PGE2 in inflamed gingiva play a significant role in the tissue destruction caused by periodontitis, partly by targeting local fibroblasts. Only very few studies have shown that PGE2 inhibits the proliferation of a gingival fibroblast (GF) cell line, and we expanded this research by using primary human GFs (hGFs) and looking into the mechanisms of the PGE2 effect. GFs derived from healthy human gingiva were treated with PGE2 and proliferation was assessed by measuring cell number and DNA synthesis and potential signaling pathways were investigated using selective activators or inhibitors. PGE2 inhibited the proliferation of hGFs dose‐dependently. The effect was mimicked by forskolin (adenylate cyclase stimulator) and augmented by IBMX (a cAMP‐breakdown inhibitor), pointing to involvement of cAMP. Indeed, PGE2 and forskolin induced cAMP generation in these cells. Using selective EP receptor agonists we found that the anti‐proliferative effect of PGE2 is mediated via the EP2 receptor (which is coupled to adenylate cyclase activation). We also found that the effect of PGE2 involved activation of Epac (exchange protein directly activated by cAMP), an intracellular cAMP sensor, and not PKA. While serum increased the amount of phospho‐ERK in hGFs by ∼300%, PGE2 decreased it by ∼50%. Finally, the PGE2 effect does not require endogenous production of prostaglandins since it was not abrogated by two COX‐inhibitors. In conclusion, in human gingival fibroblasts PGE2 activates the EP2—cAMP—Epac pathway, reducing ERK phosphorylation and inhibiting proliferation. This effect could hamper periodontal healing and provide further insights into the pathogenesis of inflammatory periodontal disease. J. Cell. Biochem. 108: 207–215, 2009. © 2009 Wiley‐Liss, Inc.
Characterization of the expression of variant and standard CD44 in prostate cancer cells: Identification of the possible molecular mechanism of CD44/MMP9 complex formation on the cell surface
Authors: Desai B. , Ma T. , Zhu J. , Chellaiah M.A.
Published: July 2009

CD44 is a glycosylated adhesion molecule and osteopontin is one of its ligand. CD44 undergoes alternative splicing to produce variant isoforms. Our recent studies have shown an increase in the surface expression of CD44 isoforms (sCD44 and v4–v10 variant CD44) in prostate cancer cells over‐expressing osteopontin (PC3/OPN). Formation of CD44/MMP9 complex on the cell surface is indispensable for MMP9 activity. In this study, we have characterized the expression of variant CD44 using RT‐PCR, surface labeling with NHS–biotin, and immunoblotting. Expression of variant CD44 encompassing v4–v10 and sCD44 at mRNA and protein levels are of the same levels in PC3 and PC3/OPN cells. However, an increase in the surface expression of v6, v10, and sCD44 in PC3/OPN cells suggest that OPN may be a ligand for these isoforms. We then proceeded to determine the role of sCD44 in MMP9 activation. Based on our previous studies in osteoclasts, we hypothesized that phosphorylation of CD44 has a role on its surface expression and subsequent activation of MMP9. We have prepared TAT‐fused CD44 peptides comprising unphosphorylated and constitutively phosphorylated serine residues at positions Ser323 and Ser325. Transduction of phosphopeptides at Ser323 and Ser323/325 into PC3 cells reduced the surface levels of CD44, MMP9 activity, and cell migration; but had no effect on the membrane localization of MMP9. However, MMP9 knock‐down PC3 cells showed reduced CD44 at cellular and surface levels. Thus we conclude that surface expression of CD44 and activation of MMP9 on the cell surface are interdependent. J. Cell. Biochem. 108: 272–284, 2009. © 2009 Wiley‐Liss, Inc.
Role of Smad3, acting independently of transforming growth factor‐β, in the early induction of Wnt‐β‐catenin signaling by parathyroid hormone in mouse osteoblastic cells
Authors: Inoue Yoshifumi , Canaff Lucie , Hendy Geoffrey N. , Hisa Itoko , Sugimoto Toshitsugu , Chihara Kazuo , Kaji Hiroshi
Published: July 2009

Parathyroid hormone (PTH) exerts an anabolic action on bone but the mechanisms are incompletely understood. We showed previously that PTH interacts with the canonical Wnt‐β‐catenin signaling pathway via the transforming growth factor (TGF)‐β signaling molecule, Smad3, to modulate osteoblast differentiation and apoptosis. Here, we examined which actions of Smad3 are TGF‐β‐independent in stimulating the osteoblast phenotype and PTH‐induced Wnt‐β‐catenin signaling. For this, the TGF‐β receptor type 1 [activin receptor‐like kinase (ALK5)] inhibitor (SB431542), and a Smad3 mutant in which the site normally phosphorylated by ALK5 is mutated from SSVS to AAVA, was used. PTH induced total β‐catenin and reduced phosphorylated β‐catenin levels at 1, 6, and 24 h in mouse osteoblastic MC3T3‐E1 cells. Transient transfection of Smad3AAVA inhibited the PTH induction of total β‐catenin and reduction of phosphorylated β‐catenin levels at 6 and 24 h, but not at 1 h, indicating that the early effects occur independently of TGF‐β receptor signaling. On the other hand, MC3T3‐E1 cell clones in which Smad3AAVA was stably expressed demonstrated elevated β‐catenin levels, although alkaline phosphatase (ALP) activity and mineralization were unaltered. In contrast, MC3T3‐E1 cell clones in which wild‐type Smad3 was stably expressed exhibited increased ALP activity and mineralization that were decreased by the ALK5 inhibitor, SB431542, although the β‐catenin levels induced in these cells were not modulated. In conclusion, the present study indicates that PTH induces osteoblast β‐catenin levels via Smad3 independently of, and dependently on, TGF‐β in the early and later induction phases, respectively. J. Cell. Biochem. 108: 285–294, 2009. © 2009 Wiley‐Liss, Inc.
SRrp37, a novel splicing regulator located in the nuclear speckles and nucleoli, interacts with SC35 and modulates alternative pre‐mRNA splicing in vivo
Authors: Ouyang Pin
Published: July 2009

We report here the identification and characterization of a novel SR‐related protein, referred to as SRrp37, based on its apparent molecular weight and subcellular location. SRrp37 was identified through a yeast two‐hybrid screen during the course of searching for proteins interacting with pNO40, a ribosomal 60S core subunit. SRrp37 exhibited two alternative spliced isoforms generated by differential usage of the translation start site with the longer one, SRrp37, initiating at first exon and the shorter, SRrp37‐2, starting from exon 2. Three distinct motifs can be discerned in the SRrp37 protein: (1) a serine–arginine (SR) dipeptide enriched domain, (2) a polyserine stretch, and (3) a potential nucleolar localization signal comprising a long array of basic amino acids. SRrp37's message was translated in tissue‐specific patterns with both isoforms expressed at comparable levels in tissues showing expression. Indirect immunofluorescence analysis with an anti‐SRrp37 antibody, as well as an experiment using myc‐tagged proteins, demonstrated that SRrp37 was localized in nucleoli and nuclear speckles. GST pull‐down assay showed that SRrp37 interacted physically with SC35. Using adenovirus E1A and chimeric calcitonin/dhfr constructs as splicing reporter minigenes, we found that SRrp37 modulated alternative 5′ and 3′ splicing in vivo. Together, SRrp37 may participate directly in splicing regulation or indirectly through interaction with SC35. Studies on this novel splicing regulator may provide new information on the intricate splicing machinery as related to the RNA metabolism involving processing of mRNA and rRNA. J. Cell. Biochem. 108: 304–314, 2009. © 2009 Wiley‐Liss, Inc.
Shortening of human cell life span by induction of p16ink4a through the platelet‐derived growth factor receptor β
Authors: Takahashi Hidekazu , Toyoda Masashi , Birumachi Jun‐ichi , Horie Akane , Uyama Taro , Miyado Kenji , Matsumoto Kenji , Saito Hirohisa , Umezawa Akihiro
Published: July 2009

Mesenchymal stem cells (MSCs) are attracting a great deal of attention because they represent a valuable source of cells for use in regenerative medicine. In human cell culture it is important to obtain large numbers of cells for use in therapy. In this study, we attempted to prolong life span of a marrow‐derived mesenchymal stem cell using a combination of growth factors and hormones. Furthermore we tested whether chemically defined culture conditions are sufficient for maintenance of multipotent mesenchymal stem cells. Epidermal growth factor, platelet‐derived growth factor‐BB (PDGF‐BB), acidic fibroblast growth factor (FGF), basic FGF, and leukemia inhibitory factor were found to be key factors for the mesenchymal stem cell proliferation. The combination of these growth factors showed extremely strong mitogenic activity, and simultaneously induced the expression of cyclin‐dependent kinase inhibitor p16ink4a protein and premature senescence more rapidly than serum‐supported culture conditions. The induction of p16ink4a by growth factors was mediated through the mitogen‐activated protein kinase (MAPK) cascade. Excess growth stimulation by growth factors was thus one of the culture stress signals and a trigger of premature senescence at least in human cells. J. Cell. Physiol. 221: 335–342, 2009. © 2009 Wiley‐Liss, Inc.
Advanced models for transient analysis of lossy and dispersive anisotropic planar layers
Authors: Antonini Giulio
Published: July 2009

A new model is proposed for the transient analysis of the electromagnetic field propagation through anisotropic lossy and dispersive layers. The propagation equations of the electromagnetic fields are solved as a Sturm–Liouville problem leading to identify its dyadic Green's function in a series rational form. Then, the corresponding poles and residues are obtained and a reduced order macromodel is generated, which can be easily embedded within existing three dimensional solvers. The model is applied to lossy and dispersive anisotropic layers with differently polarized plane–waves. Copyright © 2009 John Wiley & Sons, Ltd.
Presenteeism in the workplace: A review and research agenda
Authors: Johns Gary
Published: July 2009

Presenteeism refers to attending work while ill. Although it is a subject of intense interest to scholars in occupational medicine, relatively few organizational scholars are familiar with the concept. This article traces the development of interest in presenteeism, considers its various conceptualizations, and explains how presenteeism is typically measured. Organizational and occupational correlates of attending work when ill are reviewed, as are medical correlates of resulting productivity loss. It is argued that presenteeism has important implications for organizational theory and practice, and a research agenda for organizational scholars is presented. Copyright © 2009 John Wiley & Sons, Ltd.
Total scapulectomy and constrained reverse total shoulder reconstruction for a Ewing's Sarcoma
Authors: Mavrogenis Andreas F. , Mastorakos Dimitrios P. , Triantafyllopoulos Georgios , Sakellariou Vasileios I. , Galanis Evanthia C. , Papagelopoulos Panayiotis J.
Published: July 2009

Background

Total scapulectomy and intra‐articular resection of the glenohumeral joint indicates the Malawer Type III shoulder girdle resection.

Materials and Methods

The modified Tikhoff‐Linberg total scapulectomy and constrained reverse total shoulder reconstruction for a Ewing's sarcoma of the scapula is presented. A combined approach has been used. The deltoid, trapezius, rhomboids, levator scapulae, latissimus dorsi, and serratus anterior were preserved. the tumor was removed en bloc by disarticulation of the acromioclavicular and the glenohumeral joints. The scapular prosthesis was suspended by the muscles. A constrained reverse humeral prosthesis was implanted after osteotomy of the humeral head.

Results

There were no intraoperative or postoperative complications; surgical margins were clear. At 12 months postoperatively, the patient has a stable and painless shoulder.

Conclusion

The goal of shoulder reconstructions is to provide a stable and painless joint that allows positioning of the arm and hand in space. Compared to those patients left without a scapula reconstruction, prosthetic replacement of the scapula and shoulder partially restores abduction and external rotation and improves cosmesis. J. Surg. Oncol. 2009;100:611–615. © 2009 Wiley‐Liss, Inc.
Postoperative chemotherapy after neoadjuvant chemoradiation and surgery for rectal cancer: Is it essential for patients with ypT0‐2N0?
Authors: Huh Jung Wook , Kim Hyeong Rok
Published: July 2009

Background

The potential advantage of adjuvant chemotherapy in patients with ypT0‐2N0 rectal cancer remains unclear. The purpose of this study was to evaluate whether this therapy has an impact on survival.

Materials and Methods

Patients who underwent curative surgery after preoperative chemoradiation for locally advanced low rectal cancer were retrospectively reviewed. A total of 41 consecutive patients with pathological stage 0 (ypT0N0) or I (ypT1‐2N0) were enrolled. Of the 41 patients, 17 (41.5%) received postoperative 5‐fluorouracil (5‐FU)‐based chemotherapy, while 24 were followed without postoperative therapy. Oncologic outcomes were compared between the two groups.

Results

The median follow‐up period was 47.6 months. The overall postoperative complication rates did not differ significantly between the patients who received chemotherapy and those who did not (17.6% vs. 20.8%, P = 0.799). The 5‐year overall and disease‐free survival rates for patients who received chemotherapy were 88.9% and 84.7%, which were not significantly different from the rates for those who did not (85.9%; P = 0.644 and 73.4%; P = 0.599, respectively).

Conclusions

Postoperative adjuvant chemotherapy for patients with good responses after preoperative chemoradiation and curative surgery did not significantly improve the survival. However, this should be validated in prospective randomized trials with larger sample sizes. J. Surg. Oncol. 2009;100:387–391. © 2009 Wiley‐Liss, Inc.
Prognostic role of myeloid cell leukemia‐1 protein (Mcl‐1) expression in human gastric cancer
Authors: Likui Wang , Qun Liu , Wanqing Zhou , Haifeng Shao , Fangqiu Li , Xiaojun Li
Published: July 2009

Background

Myeloid cell leukemia‐1 protein (Mcl‐1), an anti‐apoptotic member of Bcl‐2 family, has been reported to be correlated with tumor progression. The purpose of this study was to establish the prognostic value of Mcl‐1 expression in human gastric cancer.

Methods

Western blot assay was performed to detect the expression of Mcl‐1 protein in human gastric cancer cell lines and tissues, while Mcl‐1 expression in resected gastric cancer tissue samples was analysed by immunohistochemistry.

Results

The level of Mcl‐1 protein expression in gastric cancer cell lines was significantly higher than that in gastric mucosa epithelial cell line. Moreover, the expression level of Mcl‐1 protein was significantly higher in gastric cancer tissues than corresponding noncancerous tissues. Expression was correlated with T classification (P = 0.003), metastasis (P = 0.001), clinical stage (P = 0.010), and venous invasion (P = 0.004). Patients with high Mcl‐1 expression showed poorer 5‐year overall survival than patients with low Mcl‐1 expression (P = 0.012; log‐rank test). Further univariate and multivariate analysis suggested that high Mcl‐1 expression was an independent prognostic marker for the disease.

Conclusion

Mcl‐1 is highly upregulated in gastric cancer and high Mcl‐1 expression is correlated with a poor prognosis in gastric cancer patients. Thus, Mcl‐1 can be utilized as an independent prognostic factor. J. Surg. Oncol. 2009;100:396–400. © 2009 Wiley‐Liss, Inc.
Fabrication of three‐dimensional photonic crystals in quantum‐dot‐based materials
Authors: Gu M. , Jia B. , Li J. , Ventura M.J.
Published: July 2009

Controlling spontaneous emission (SE) is of fundamental importance to a diverse range of photonic applications including but not limited to quantum optics, low power displays, solar energy harvesting and optical communications. Characterized by photonic bandgap (PBG) property, three‐dimensional (3D) photonic crystals (PCs) have emerged as a promising synthetic material, which can manipulate photons in much the same way as a semiconductor does to electrons. Emission tunable nanocrystal quantum dots (QDs) are ideal point sources to be embedded into 3D PCs towards active devices. The challenge however lies in the combination of QDs with 3D PCs without degradation of their emission properties. Polymer materials stand out for this purpose due to their flexibility of incorporating active materials. Combining the versatile multi‐photon 3D micro‐fabrication techniques, active 3D PCs have been fabricated in polymer‐QD composites with demonstrated control of SE from QDs. With this milestone novel miniaturized photonic devices can thus be envisaged.
Pronounced stereospecificity of 1H, 13C, 15N and 77Se shielding constants in the selenophenyl oximes as shown by NMR spectroscopy and GIAO calculations
Authors: Afonin Andrei V. , Pavlov Dmitry V. , Ushakov Igor A. , Schmidt Elena Yu. , Mikhaleva Al'bina I.
Published: July 2009

In the 1H and 13C NMR spectra of 1‐(2‐selenophenyl)‐1‐alkanone oximes, the 1H, the 13C‐3 and 13C‐5 signals of the selenophene ring are shifted by 0.1–0.4, 2.5–3.0 and 5.5–6.0 ppm, respectively, to higher frequencies, whereas those of the 13C‐1, 13C‐2 and 13C‐4 carbons are shifted by 4–5, ∼11 and ∼1.7 ppm to lower frequencies on going from the E to Z isomer. The 15N chemical shift of the oximic nitrogen is larger by 13–16 ppm in the E isomer relative to the Z isomer. An extraordinarily large difference (above 90 ppm) between the 77Se resonance positions is revealed in the studied oxime isomers, the 77Se peak being shifted to higher frequencies in the Z isomer. The trends in the changes of the measured chemical shifts are well reproduced by the GIAO calculations of the 1H, 13C, 15N and 77Se shielding constants in the energy‐favorable conformation with the syn orientation of theCNOH group relative to the selenophene ring. Copyright © 2009 John Wiley & Sons, Ltd.
Improving SNR of RF coils using composite coil elements
Authors: Wang Zhiyue J.
Published: July 2009

A composite coil element consists of up to three independent orthogonal loops. It improves the flexibility in shaping the radio frequency (RF) field in its vicinity, compared with a single‐loop coil element. Computer simulations were conducted to explore the potential advantages of this type of coil configuration for improving the signal‐to‐ noise ratio (SNR), including the intrinsic SNR (ISNR) and the realistic SNR, when the effects of resistive loss of the coil were included. A ‘half‐space’ model was considered, with a variable B0 direction relative to the surface of a large conductive medium. The SNR performance of a square single‐loop coil parallel to the surface of the medium was compared with that of a composite coil element where up to two additional orthogonal square loops of the same size were added to the single coil loop. The SNR performances of coil arrays consisting of single‐loop elements and composite elements were also evaluated. The RF field was calculated using the finite‐difference time‐domain method. The results show that the composite coil element has a substantially better ISNR at all depths from the surface than that of a single‐loop element covering the same surface area. Furthermore, the ISNR of a composite element is not sensitive to the surface orientation relative to the B0 field. The computer simulation also revealed that at 128 MHz, the resistive loss from the copper coil loops standing upright on the surface at room temperature is substantial compared to the loss in the medium. Consequently, the realistic SNR is significantly lower than ISNR at 128 MHz for a composite coil element. The coil loading by the medium becomes more dominant at 170 and 298 MHz, and the differences between the realistic SNR and ISNR become smaller at these higher frequencies. Copyright © 2009 John Wiley & Sons, Ltd.
Distinguishing species of geoemydid and trionychid turtles from shell fragments: evidence from the Pleistocene at Niah Caves, Sarawak
Authors: Pritchard P. C. H. , Rabett R. J. , Piper P. J.
Published: July 2009

Fragments of chelonian carapace and plastral dermal plates are well‐represented from archaeological sites in the world's dry and wet tropics. However, although these bones are easily identified at an element level, few archaeological reports have explored the potential of using features of form and surface sculpturing as a way to refine that identification to genus or species. The ability to achieve such a refinement would benefit environmental and human subsistence strategy models alike. The objective of the current paper was to isolate recurrent and readily visible surface characteristics on the dermal plates from a selection of commonly occurring Southeast Asian hard‐ and soft‐shelled turtles. Using these criteria, analysis is made of the chelonian assemblage from pre‐ and post‐Last Glacial Maximum (LGM) cultural deposits in the West Mouth of Niah Cave. Copyright © 2009 John Wiley & Sons, Ltd.
Thermo‐sensitive amphiphilic poly(N‐vinylcaprolactam) copolymers: synthesis and solution properties
Authors: Zhang Lifen , Liang Yong , Meng Lingzhi
Published: July 2009

Thermo‐sensitive amphiphilic copolymers, PVCL‐PTrpAMT and PVCL‐PVP‐PTrpAMT of hydrophilic N‐vinylcaprolactam (VCL), N‐vinylpyrrolidone (NVP), and hydrophobic N‐t‐Boc‐tryptophanamido‐N′‐methacryl thioureas (TrpAMT) monomers, were synthesized and characterized by 1H NMR, UV‐spectroscopy, and GPC‐MALLS. The cloud point (CP) measurement showed that hydrophobic PTrpAMT and hydrophilic PVP segments significantly altered the phase transition temperature of PVCL with comparable molecular weight in aqueous solution. The CP of PVP‐PTrpAMT solution was 38.0°C, lower by 5.0°C than that of unmodified PVCL. In the presence of phosphate buffer saline (PBS), the CP value of the PVCL polymer decreased by ∼2.0°C in comparison to that of the aqueous solution. Fluorescent spectroscopy and TEM studies revealed that PVCL‐PTrpAMT and PVCL‐PVP‐PTrpAMT self‐assembled into the spherical micelles, 30–70 nm in diameter, at concentrations over their CMCs in an aqueous solution. Cytotoxicity tests demonstrated that the PVCL copolymers were not harmful to cell viability, which may favor the use of the copolymers as potential thermo‐sensitive polymers in pharmaceutical applications. Copyright © 2009 John Wiley & Sons, Ltd.
Does the combination of fronto‐maxillary facial angle and nasal bone evaluation improve the detection of Down syndrome in the second trimester?
Authors: Odibo Anthony O. , Schoenborn Jean A. , Haas Kimberly , Macones George A.
Published: July 2009

Objective

To determine if the combination of fronto‐maxillary facial (FMF) angle and nasal bone (NB) evaluation improves the detection of Down syndrome (DS) in the second trimester.

Study Design

We compared the FMF angle measurements in euploid and DS fetuses seen between 2005 and 2008. The FMF angles were measured from stored two‐dimensional (2‐D) images by investigators blinded to the DS status of the fetus. All NB measurements were obtained prospectively. Receiver operator characteristic curve plot was used to determine the optimal definition for abnormal FMF angle. The detection and false positive rates and likelihood ratios positive and negative for the DS markers and their combinations were compared.

Results

Of 22 fetuses with DS seen between 16 and 22 weeks over the study period, NB and FMF angle evaluation was available for 21. These were compared with a control group of 201 fetuses seen at similar gestational age ranges without DS. NB alone identified 10/21 (47.6%) of Down syndrome while FMF angle identified 2/21 (9.5%). The combination of FMF angle and NB identified only one additional case of Down syndrome.

Conclusions

While FMF angle and NB are independent markers for DS, their combination resulted in a minimal but nonsignificant improvement in DS detection. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis and palladium‐catalyzed addition polymerization of norbornene carrying epoxy moiety
Authors: Morishita Hidetada , Sudo Atsushi , Endo Takeshi
Published: July 2009

A norbornene monomer carrying epoxy moiety 1 was successfully synthesized from 5‐norbornene‐2‐carbardehyde by treating it with thioylide. With using a catalytic system consisted of palladium (II) acetate/tricyclohexylphosphine/triphenylcarbenium tetrakis(pentafluorophenyl)borate, homopolymerizations and copolymerization of 1 and 5‐butyl‐2‐norbornene (BNB) were examined. The homopolymerization of 1 was slower than that of BNB presumably due to coordination of the epoxy moiety to the palladium‐center in competition with the CC double bond of norbornene. This deceleration became less significant in the copolymerizations with low initial feed ratios [1]0/[BNB]0, leading to successful formation of the corresponding copolymers having a rigid poly(norbornene) main chain and epoxy moiety in the side chains, of which composition ratios agreed with the feed ratios. Influence of the epoxy moiety of 1 on its Pd‐catalyzed addition polymerization was elucidated by studying the homopolymerization of BNB in the presence of 1,2‐epoxyhexane. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3982–3989, 2009
Needs assessment of family caregivers of cancer survivors: three cohorts comparison
Authors: Kim Youngmee , Kashy Deborah A. , Spillers Rachel L. , Evans Tekla V.
Published: July 2009

Purpose/Background: Caregivers' quality of life (QOL) may be maximized when the caregivers' needs in the context of cancer care are met. Therefore, determining what needs are not being satisfied for family caregivers should be the first step in the development of programs designed to enhance caregivers' QOL.

Method: The 28‐item Needs Assessment of Family Caregivers‐Cancer (NAFC‐C) scale was developed and validated with caregivers at three different survivorship phases: at 2 months (n=162), 2 years (n=896), and 5 years (n=608) post‐diagnosis.

Results: The NAFC‐C helped to identify caregivers whose needs were less likely to be met, based on their age and ethnicity. Furthermore, the extent to which caregivers' psychosocial needs were not being met was a consistent and strong predictor of poor mental health across all phases of survivorship, beyond the effects of a host of demographic characteristics.

Conclusion: Findings suggest that interventions designed to help caregivers manage their own emotional distress as well as the survivors' distress, find meaning in the cancer caregiving experience, and foster supportive familial relationship will benefit caregivers by improving their QOL, not only during the time of diagnosis and treatment but years after. Copyright © 2009 John Wiley & Sons, Ltd.
Challenging a paradigm: Theoretical calculations of the protonation state of the Cys25‐His159 catalytic diad in free papain
Authors: Shokhen Michael , Khazanov Netaly , Albeck Amnon
Published: July 2009

A central mechanistic paradigm of cysteine proteases is that the His–Cys catalytic diad forms an ion‐pair NH(+)/S(−) already in the catalytically active free enzyme. Most molecular modeling studies of cysteine proteases refer to this paradigm as their starting point. Nevertheless, several recent kinetics and X‐ray crystallography studies of viral and bacterial cysteine proteases depart from the ion‐pair mechanism, suggesting general base catalysis. We challenge the postulate of the ion‐pair formation in free papain. Applying our QM/SCRF(VS) molecular modeling approach, we analyzed all protonation states of the catalytic diad in free papain and its SMe derivative, comparing the predicted and experimental pKa data. We conclude that the His–Cys catalytic diad in free papain is fully protonated, NH(+)/SH. The experimental pKa = 8.62 of His159 imidazole in free papain, obtained by NMR‐controlled titration and originally interpreted as the NH(+)/S(−) ⇌ N/S(−) $ {\rm NH}(+)/{\rm S}(-)\rightleftharpoons {\rm N/S}(-) $ equilibrium, is now assigned to the NH(+)/SH ⇌ N/SH$ {\rm NH}(+)/{\rm SH}\rightleftharpoons {\rm N/SH} $ equilibrium. Proteins 2009. © 2009 Wiley‐Liss, Inc.
A comparative analysis of the equilibrium dynamics of a designed protein inferred from NMR, X‐ray, and computations
Authors: Liu Lin , Koharudin Leonardus M. I. , Gronenborn Angela M. , Bahar Ivet
Published: July 2009

A detailed analysis of high‐resolution structural data and computationally predicted dynamics was carried out for a designed sugar‐binding protein. The mean‐square deviations in the positions of residues derived from nuclear magnetic resonance (NMR) models and those inferred from X‐ray crystallographic B‐factors for two different crystal forms were compared with the predictions based on the Gaussian Network Model (GNM) and the results from molecular dynamics (MD) simulations. GNM systematically yielded a higher correlation than MD, with experimental data, suggesting that the lack of atomistic details in the coarse‐grained GNM is more than compensated for by the mathematically exact evaluation of fluctuations using the native contacts topology. Evidence is provided that particular loop motions are curtailed by intermolecular contacts in the crystal environment causing a discrepancy between theory and experiments. Interestingly, the information conveyed by X‐ray crystallography becomes more consistent with NMR models and computational predictions when ensembles of X‐ray models are considered. Less precise (broadly distributed) ensembles indeed appear to describe the accessible conformational space under native state conditions better than B‐factors. Our results highlight the importance of using multiple conformations obtained by alternative experimental methods, and analyzing results from both coarse‐grained models and atomic simulations, for accurate assessment of motions accessible to proteins under native state conditions. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Electronic structure and magnetic properties of Fe3C with 2p and 3p impurities
Authors: Gutina O. Yu. , Medvedeva N. I. , Shein I. R. , Ivanovskii A. L. , Medvedeva J. E.
Published: July 2009

Ab initio calculations were performed to determine the effect of 2p and 3p impurities on the structural, electronic, and magnetic properties of cementite. We predict that phosphorus, sulfur, and all 2p impurities replace carbon, while aluminum and silicon substitute for iron. The magnetization and magnetic moments on iron atoms in the special and general positions only slightly change for impurities in the carbon sites, but they essentially decrease for impurities that substitute for iron (Al, Si). We find that boron and nitrogen (to a lesser degree) promote the stabilization of cementite and may be dissolved with the formation of ternary Fe3(C, B) and Fe3(C, N) cementites. Aluminum and especially silicon sharply suppress the formation of cementite.
Pressure‐induced phase transition and elastic properties of TiO2polymorphs
Authors: Ma X. G. , Liang P. , Miao L. , Bie S. W. , Zhang C. K. , Xu L. , Jiang J. J.
Published: July 2009

A theoretical study was carried out by first‐principles calculations using plane‐wave pseudopotential method to investigate the crystal structures, relative stabilities, and elastic properties of seven known titanium dioxide (TiO2) polymorphs. Our calculated equilibrium structural parameters of TiO2polymorphs are in good agreement with the experimental results. Firstly, it is worth to note that from our energy‐minimized generalized gradient approximation (GGA) calculations, the four phases of TiO2– anatase, rutile, columbite, and baddeleyite – are seen to lie within a very close energy range (0.02 eV/atom) of each other, which implies easy phase transition between them. Secondly, on the basis of enthalpyversuspressure data obtained from our GGA calculations for high‐pressure forms, we demonstrate the phase transition pressure and the expected sequence of the phase transition of TiO2, which are in reasonable agreement with experimental observations. Finally, we calculate the elastic constants of all the TiO2polymorphs, and based on them, the bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are estimated. The results show that cotunnite‐type TiO2is a potential low‐compressible material.
Band‐structure and optical‐transition parameters of wurtzite MgO, ZnO, and CdO from quasiparticle calculations
Authors: Schleife A. , Fuchs F. , Rödl C. , Furthmüller J. , Bechstedt F.
Published: July 2009

We use Hedin's GW framework to compute quasiparticle bands for group‐II monoxides in wurtzite (wz) structure. Modern hybrid density functional theory is applied to compute the starting electronic structure for the solution of the quasiparticle equation. We derive band parameters and effective masses for the three uppermost valence bands as well as the lowest conduction band including spin–orbit coupling. Optical transition matrix elements and exciton binding energies are also calculated. In addition to the prediction of parameters for wz‐MgO and wz‐CdO we discuss the chemical trend.
Damping of plasma waves in two‐dimensional electron systems due to contacts
Authors: Satou Akira , Ryzhii Victor , Mitin Vladimir , Vagidov Nizami
Published: July 2009

We report on the numerical study of plasma waves in two‐dimensional electron systems with contacts using the kinetic electron transport model. We simulate the time‐ and position‐dependence of plasma waves in the system by initially adding small perturbation of the electron concentration from the steady state. We demonstrate that in such a system the damping of plasma waves caused by “out of phase” electrons exiting the channel through the contacts occur. We find that the damping rate is proportional to the electron average velocity and inversely proportional to the channel length.
Symmetry determined medium range order (MRO) contributions to the first sharp diffraction peak (FSDP) in non‐crystalline oxide and chalcogenide glasses
Authors: Lucovsky Gerald , Phillips James C.
Published: July 2009

The first sharp diffraction peak (FSDP) in the structure factor, S(Q), obtained from X‐ray and neutron diffraction data, is a characteristic feature of oxide and chalcogenide glasses. This feature reflects intermediate, or medium range order (MRO), and is expressed in terms of two experimentally determined parameters, the position, Q1(Å−1), and the full‐width at half‐maximum (FWHM), ΔQ1(Å−1), of the FSDP peak. These parameters determine a correlation length R = 2π/Q1(Å−1) and a coherence length L = 2π/ΔQ1(Å−1) that result from symmetry‐determined contributions to the fundamental electronic structures of SiO2 and GeSe2. Narrow distributions of third neighbor SiO and GeSe pair correlation distances are forced by strongly correlated symmetries of Si and Ge d‐states connected through intervening O and Se atoms, as well as Se inter‐atom lone‐pair repulsions in GeSe2. The local bonding of threefold coordinated B‐atoms in B2O3 is planar rather than tetragonal and a similar O 2pπB 3dπ overlap is symmetry forbidden. Instead symmetry allowed O 2pπB 3pπ bonding interactions play the determining role in promoting second‐neighbor BO atom coupling through intervening O‐atoms, thereby extending the correlation length scale into the MRO regime.
Phase change materials: The importance of resonance bonding
Authors: Wuttig Matthias
Published: July 2009

Phase change materials possess a property portfolio which is attractive for storage applications. At the same time the unique material properties provide interesting challenges for our understanding of solids. In this paper it will be demonstrated that many of the unique features of this material class are attributed to the bonding in the crystalline state. Resonance bonding is shown to be responsible for the high electronic polarizabilities in the crystalline state which enable a pronounced change of optical properties upon crystallization. Since resonance bonding can only develop in a very small number of solids under well‐defined conditions a map can be constructed which helps in locating phase change materials.
Effect of alloy disorder on photoluminescence in HgCdTe
Authors: Ivanov‐Omskii V. I. , Bazhenov N. L. , Mynbaev K. D.
Published: July 2009

Hg1−xCdxTe samples with x = 0.38 and 0.57 fabricated by molecular beam epitaxy, both as‐grown and after annealing, were studied. Photoluminescence (PL) was measured in the temperature range 4.2 < T < 300 K. The PL peak energy was found to be less than that of the energy gap by a certain value δE that depended on temperature. This effect was attributed to recombination of excitons localized at composition non‐homogeneities. An analysis was carried out that provided a way for evaluation of a non‐homogeneity measure. The amplitude of the non‐homogeneities was shown to decrease by about 50% as a result of post‐growth annealing in a He atmosphere and Hg vapour.
Economic design of Xbar control charts with continuously variable sampling intervals
Authors: Carolan Christopher A. , Kros John F. , Said Said E.
Published: July 2009

In the context of economic design, a two‐stage model is proposed that utilizes continuously variable sampling intervals. Specifically, each successive sampling interval is determined by the extremity of the latest sample. Modeling the situation as a Markov chain, the hourly cost is developed for any arbitrary set of design parameters. This proposed approach is found to be more economically desirable, possessing a smaller average out‐of‐control production time, when compared with a standard two‐stage approach where the sampling interval alternates between two fixed values. Copyright © 2009 John Wiley & Sons, Ltd.
[80]Fullerene–amino acid interactions: Theoretical insights
Authors: De Leon Aned , Jalbout Abraham F. , Basiuk Vladimir A.
Published: July 2009

This work reports the interactions of a C80 fullerene species with the 20 naturally occurring amino acids. As a result of the analysis of multiple configurations, we have determined that the most stable C80 complexes form with thiol containing amino acids. The stabilities of the resulting complexes have been classified according to biochemical classifications that are used to develop trends among the calculated data. The computed trends in the dissociation energies are related to the backbone structure of the corresponding amino acids. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Endo[metallo] SWNT‐amino acid interactions: A theoretical study
Authors: Jalbout Abraham F.
Published: July 2009

We propose that an atom of calcium (Ca) which is an alkaline earth metal on encapsulation inside of a metallic armchair (5,5) (SWNT) species can have stronger amino acid interactions. From our calculations of various physical parameters we depict several configurations in which such an endo[metallo] SWNT can be modified by an internally placed Ca atom. Density functional theory (DFT) calculations reveal that the most favorable interactions of the SWNT system is with tryptophan, tyrosine, and phenylalanine that can be directly correlated to the backbone geometry of the amino acid species. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
A general method to obtain Sturmian functions for continuum and bound state problems with Coulomb interactions
Authors: Frapiccini A. L. , Randazzo J. M. , Gasaneo G. , Colavecchia F. D.
Published: July 2009

In this article, we investigate discretization schemes to represent Sturmian functions for both positive and negative energies in the presence of a long range Coulomb potential. We explore two methods to obtain Sturmian functions for positive energy. The first one involves the expansion of the radial wave function in a L2 finite basis set, whereas the second one introduces the discretization of the radial coordinate domain of the Hamiltonian or, alternatively, the Green function. We apply them to find the bound states and scattering phase shift for ${\cal N}$‐electron atoms close to the critical charge. Both methods are able to describe bound states near threshold, as well as continuum states with very good convergence properties. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Adsorption and dissociation of carbon trioxide on Ag(100)
Authors: Soo Tsz‐Yan , Qin Changyong
Published: July 2009

Using density functional theory methods, we have studied carbon trioxide, its adsorption and dissociation on Ag(100). In the gas phase, two isomers are found, D3h and C2v, with the latter of 2.0 kcal mol−1 lower in energy at the PW91PW91/6−31G(d) level. For CO3 on Ag(100), the calculated adsorption energy is 91.2 and 89.1 kcal mol−1 for the bi‐coord perpendicular and tri‐coord parallel structures, respectively. Upon the adsorption, 0.50 ∼ 0.56 electron is transferred from silver to CO3, indicative of significant ionic characters of the adsorbate‐surface bonding. In addition, the geometry of CO3 is largely changed by its strong interaction with silver. For CO3(ad) → O(ad) + CO2(gas), the energy barrier is calculated to be 19.8 kcal mol−1 through the bi‐coord path. The process is endothermic with an enthalpy change of +17.3 ∼ +26.7 kcal mol−1 and the weakly chemisorbed CO2 is identified as an intermediate on the potential energy surface. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Correlating data from multiple surface‐specific techniques using multivariate methods: examples and considerations
Authors: Lloyd K.G. , Walls D.J. , Wyre J.P.
Published: July 2009

This paper presents examples of spectral and mapping data correlation among different techniques using multivariate analytical methods. Specifically, ToF‐SIMS, ATR‐IR, and XPS Valence Band spectroscopic data acquired from a three‐component polymer blend are correlated using PLS (Partial Least Squares) analysis to show the combined response to compositional changes. Raman and secondary ion mapping data from a fluorocarbon–silicone polymer blend are correlated using MCR (Multivariate Curve Resolution) to try to associate changes in crystallinity with secondary ion patterns. Finally, XPS and ToF‐SIMS mapping data are correlated using MCR to show the advantages of combining data from a higher lateral resolution technique with data from a lower lateral resolution technique. Copyright © 2009 John Wiley & Sons, Ltd.
Design and Characterization of Rotational Multicomponent Catalytic Nanomotors
Authors: Gibbs J. G. , Zhao Y.‐P.
Published: July 2009

Multicomponent rotational nanomotors consisting of Pt‐coated TiO2 nanoarms grown upon ≈2.01‐µm‐diameter silica microbeads designed by dynamic shadowing growth are presented. When exposed to H2O2, the structures rotate about an axis through the center of the microbead and perpendicular to the TiO2 nanoarm at a rate of 0.15 Hz per % H2O2 concentration. The rotational frequency increases parabolically when the surface tension of the solution is altered by the addition of sodium dodecyl sulphate; both relationships are explainable by a nanobubble‐ejection model.
Ultrastructural analysis of local collaterals of rat ventral tegmental area neurons: GABA phenotype and synapses onto dopamine and GABA cells
Authors: Omelchenko Natalia , Sesack Susan R.
Published: July 2009

Local synapses formed by nondopamine cells within the ventral tegmental area (VTA) are thought to provide an important regulatory influence on the activity patterns of dopamine (DA) neurons. However, ultrastructural confirmation of intra‐areal synapses formed by VTA neurons is lacking, and the synaptic targets of these connections have not been examined. We performed discrete injections of the specific anterograde tracer Phaseolus vulgaris leucoagglutinin (PHAL) and used electron microscopy to visualize immunoperoxidase labeling within the local collaterals of VTA cells. The phenotype of target neurons was determined by immunogold‐silver labeling for GABA or for tyrosine hydroxylase within DA neurons. Within or immediately adjacent to the VTA injection sites, PHAL was incorporated into the soma and dendrites of both GABA and DA cells. Tracer was also detected within myelinated and unmyelinated axons as well as axon terminals. Some labeled terminals formed identifiable synapses, the majority of which (78%) had symmetric morphology (presumably inhibitory). Both DA and GABA dendrites were contacted by these intrinsic axons. Postembedding immunogold labeling verified that local axon collaterals arose mainly from GABA cells (DA neurons are not known to issue recurrent collaterals). Nevertheless, a few synapses with asymmetric morphology (presumably excitatory) were also noted; whether these derive from local glutamate neurons requires further investigation. Hence, our data provide ultrastructural support for the long standing assumption that GABA VTA neurons synapse locally onto DA cells. The findings also suggest the presence of disinhibitory and possibly excitatory circuitry intrinsic to the VTA. Synapse 63:895–906, 2009. © 2009 Wiley‐Liss, Inc.
Comparison of fundal height measurement and sonographically measured fetal abdominal circumference in the prediction of high and low birth weight at term
Authors: Kayem G. , Grangé G. , Bréart G. , Goffinet F.
Published: July 2009

Objectives

To compare the diagnostic value of fundal height and sonographically measured fetal abdominal circumference in the prediction of high and low birth weight in routine practice between 37 and 41 weeks' gestation.

Methods

Data were obtained from a multicenter study of 19 415 women in France and Belgium. In this study we included 7138 low‐risk women from that population who underwent fundal height measurements no more than 8 days before delivery (Population A). We also included another 1689 women with both fundal height measurements and fetal ultrasound measurements obtained no more than 8 days before delivery (Population B). Population A was used to calculate the parameters of equations for estimating fetal weight according to fundal height alone (EFWFH) or fundal height in combination with other clinical indicators (EFWFH+). The ultrasound fetal weight estimation was based on fetal abdominal circumference (EFWAC) using Campbell and Wilkins' equation. The correlation between the estimated fetal weight calculated using each of the formulae and the birth weight was then evaluated in Population B, and the diagnostic value of each of the methods for predicting birth weight ≤2500 g or ≥4000 g was also compared.

Results

EFWAC was better correlated with birth weight than was either EFWFH or EFWFH+. With specificity set at 95%, the sensitivity of EFWAC in screening for neonates weighing ≤2500 g was significantly higher than that of EFWFH (50.7% vs. 41.2%, P < 0.05) or EFWFH+ (50.7% vs. 40.4%, P < 0.05). Similarly, its sensitivity for predicting a birth weight of ≥4000 g was significantly higher than that of EFWFH (54.0% vs. 37.1%, P < 0.05) or EFWFH+ (54.0% vs. 45.1%, P < 0.05).

Conclusions

Sonographic measurement of fetal abdominal circumference predicts high and low birth weight better than does clinical examination based on fundal height in routine practice between 37 and 41 weeks' gestation. Copyright © 2009 ISUOG. Published by John Wiley & Sons, Ltd.