bluuebunny/crossref_metadata_2025 huggingface dataset:
Many‐body Interaction in 1,2,3‐Triazine‐(water)3 Complex
Authors: Li Quan , Huang Fang‐Qian
Published: November 2005

The interaction between 1,2,3‐triazine and three water molecules was studied using density functional theory B3LYP method at 6‐31++G** basis set. Various structures for 1,2,3‐triazine‐(water)n (n=1, 2, 3) complex were investigated and the different lower energy structures were reported. Many‐body analysis was also carried out to obtain relaxation energy and many‐body interaction energy (two, three, and four‐body), and the most stable conformer has the basis set superposition error corrected interaction energy of−102.61 kJ/mol. The relaxation energy, two‐ and three‐body interactions have significant contribution to the total interaction energy whereas four‐body interaction was very small for 1,2,3‐triazine‐(water)3 complex.
Interaction of Cisplatin Adducts with Guanine Tautomers: A Theoretical Study of Metalated Tautomeric Forms
Authors: Zhang Zhi‐Qiang , Zhou Li‐Xin , He Qina
Published: November 2005

The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt(NH3)2Cl(H2O)]+ and the diaqua adduct [Pt(NH3)2(H2O)2]2+were chosen for coordination to the N(7) site of guanine tautomers. The results demonstrate that the platinum adducts influence moderately on tautomeric equilibrium, but do not change the relative stability of tautomers whether in gas phase or in aqueous solution. The keto form having H atom at N(1) and N(9) was always the predominant structure when cisplatin adducts were bound to guanine. However, other forms could coexist in water. Meanwhile, our calculations suggest that the tautomeric equilibrium should be via the same intermediate.
Theoretical Study on the Mechanism of the Cycloaddition Reaction between Dichloromethylene Germylene and Ethylene
Authors: Lu Xiu‐Hui , Xu Yue‐Hua , Yu Hai‐Bin , Lin Huang
Published: November 2005

The mechanism of a cycloaddition reaction between singlet dichloromethylene germylene and ethylene has been investigated with B3LYP/6‐31G* method, including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface. Energies for the involved conformations were calculated by CCSD(T)//B3LYP/6‐31G* method. On the basis of the surface energy profile obtained with CCSD(T)// B3LYP/6‐31G* method for the cycloaddition reaction between singlet dichloromethylene germylene and ethylene, it can be predicted that the dominant reaction pathway is that an intermediate INT1 is firstly formed between the two reactants through a barrier‐free exothermic reaction of 61.7 kJ/mol, and the intermediate INT1 then isomerizes to an active four‐membered ring product P2.1 via a transition state TS2, an intermediate INT2 and a transition state TS2.1 , in which energy barriers are 57.7 and 42.2 kJ/mol, respectively.
Tyrosine Hydrogen Bond Properties for the Two Binding Sites of Apoovotransferrin
Authors: Li Ying‐Qi , Qiao Qiu‐Rui , Yang Xiao‐Jing , Yang Bin‐Sheng
Published: November 2005

The interaction of gallium(III) with the ligands containing phenolic group(s), such as salicylic acid, 8‐hydroxyquinoline,N,N'‐bis(2‐hydroxybenzyl)ethylenediamine‐N,N′‐diacetic acid (HBED),N,N′‐ethylenebis[2‐(o‐hydroxyphenyl)glycine (EHPG), and ovotransferrin, was studied, respectively, by means of fluorescence in 0.01 mol/L Hepes at pH 7.4 and room temperature. Fluorescence intensity showed an increase when gallium(III) was bound to 8‐hydroxyquinoline and HBED. In contrast, it was decreased with the interaction of gallium(III) with salicylic acid and EHPG. At pH 7.4, there was N···HO type intramolecular hydrogen bond in the former, and the latter existed O···HO type intramolecular hydrogen bond. Fluorescence titration of apoovotransferrin with gallium(III) displayed that the fluorescence intensity was decreased at the N‐terminal binding site, while enhanced at the C‐terminal binding site. It can account for the O···HO type intramolecular hydrogen bonds for the phenolic groups of Tyr92 and Tyr191 residues at the N‐terminal binding site. And there are N···HO type intramolecular hydrogen bonds for Tyr431 and Tyr524 residues at the C‐terminal binding site. In addition, under the same conditions, the conditional binding constant of gallium(III) with EHPG or HBED determined by fluorescence method is lgKGa‐EHPG=19.18 or lgKGa‐HBED=19.08.
Preparation of Functionalized Porous Silica by Ultrasonic Technique for the Methylation Reaction of Phenol with Dimethyl Carbonate
Authors: Zhang Xue‐Hong , Chen Bing , Wei Wei , Sun Yu‐Han
Published: November 2005

Porous silica modified with (CH2)3NH2 (primary amine), (CH2)3NHCH2CH2NH2 (secondary/primary amine) and (CH2)3N‐cycl‐(CH2)4 (tertiary amine) were synthesized by ultrasonic technique under mild conditions. The samples were characterized by BET, elemental analysis and TG, showing that the organosilane moieties were grafted onto the surface of porous silica by covalent bond. The structure of the organosilane moieties and ultrasonic treatment time were all significant for the quantities of grafted amino groups. The samples exhibited promising catalytic properties towards the methylation reaction of phenol with dimethyl carbonate (DMC). The methylation reaction with the modified samples featured high selectivity at high conversion. The samples were subjected to utilization for a few recycles without obvious loss of activity to indicate that ultrasonic technique was effective for the preparation of organically modified porous silica catalysts.
Synthesis and Structural Characterization of a Dinuclear Copper(II) Complex with p‐tert‐Butylsulfonylcalix[4]arene
Authors: Guo Qian‐Ling , Ma Shu‐Lan , Zhu Wen‐Xiang , Liu Ying‐Chun , Zhang Jing
Published: November 2005

The X‐ray crystallographic structure was reported for a dinuclear copper(II) complex with a tetraanionic ligand of p‐tert‐butylsulfonylcalix[4]arene [Cu2L(CH3OH)6]·4CH3OH (H4L=p‐tert‐butylsulfonylcalix[4]arene). The complex belongs to triclinic system, $ P {\bar 1} $ space group, with a=1.2303(3) nm, b=1.2377(3) nm, c=1.3110(3) nm, α=66.862(4)°, β=67.206(4)°, γ =61.711(3)°, Z=1, V=1.5659(7) nm3, Dc=1.371 g/cm3, F(000)=682, μ(Mo Kα)=0.883 mm−1, R1=0.0325, wR2=0.0870. In this complex, the calix[4]arene acts as a bis‐tridentate chelating ligand with the 1,2‐alternate conformation.
Synthesis, Characterization and the Biological Activity of a Polyoxometalate‐loaded Nanosize‐liposome Complex
Authors: Yang Yong , Wang Xiao‐Hong , Xü Hong , Chen Xin , Liang Guo‐Ming , Gou Jin , Li Bin , Liu Jing‐Fu , Du Xiao‐Wang
Published: November 2005

The polyoxometalate K6H[CoW11O39(CpTi)] (abbreviated as CoW11CpTi, Cp=η5‐C5H5) loaded nanosize‐liposome complex has been prepared and structurally characterized by elemental analysis, IR and UV spectra. The particle size of the complex was distributed in the range of 100–250 nm with the average diameter of 132.6 nm. The result showed that the polyoxometalate retained the parent structure after being encapsulated by liposome and liposomal encapsulation increased the antitumoral activity of the polyoxometalate.
Samarium Diiodide Catalyzed Synthesis of 2,3‐Dihydro‐1H‐benzo[b][1,4]‐diazepine Derivatives
Authors: Luo Yi‐Qin , Xu Fan , Han Xiao‐Yan , Qi
Published: November 2005

Samarium diiodide (SmI2) was found to be an efficient catalyst for the condensation ofo‐phenylenediamine and ketones to afford the corresponding 2,3‐dihydro‐1H‐benzo[b][1,4]‐diazepines in moderate to excellent yields under very mild and solvent‐free conditions. The real active species here was suggested to be a Sm(III) intermediate formedin situand the mechanism of the present reaction was proposed.
Determination of Copper by Flame Atomic Absorption Spectrometry after Preconcentration with Activated Carbon Impregnated with a New Schiff Base
Authors: Saber Tehrani Mohammad , Rastegar Faramarz , Parchehbaf Ayoba , Rezvani Zolfaghar
Published: November 2005

A simple and reliable method for the extraction and determination of trace amounts of copper(II) ions using activated carbon (AC) impregnated by a new Schiff base 5‐[(4‐heptyloxyphenyl)azo]‐N‐(4‐propyloxyphenyl)‐salicyl‐aldimine (HPPS) and atomic absorption spectrometry is presented. Recovery efficiency and the influence of pH value, volume of sample solution, effect of different eluents, and interfering ions were evaluated. The limit of detection (3δ) was 2.62 ng·mL−1 and the relative standard deviation (n=10) was 1.5%. Under optimum conditions, the copper ions were concentrated 25 fold using 250 mL of sample solution and 10 mL of eluent. This procedure has been successfully applied to the determination of copper in different water samples.
Synthesis of New Chiral [2‐(1‐Hydroxyalkyl)pyrrolidino]methyl‐ferrocenes and Application to the Catalytic Asymmetric Addition of Diethylzinc to Arylaldehydes
Authors: Xu Cui‐Lian , Wang Min‐Can , Hou Xue‐Hui , Liu Hong‐Min , Wang De‐Kun
Published: November 2005

A series of new optically active [2‐(1‐hydroxyalkyl)pyrrolidino]methylferrocenes were conveniently prepared from commercially available L‐proline and ferrocenecarboxylic acid. The crystal structure of key intermediate was obtained. They were then applied to catalyze enantioselective addition of diethylzinc to arylaldehydes with enantio‐ selectivity up to 99%. The effects of the ligand structures on the enantioselectivity were also studied.
Synthesis, Structure and Biological Activities of Novel Triazole Compounds Containing 2‐Methylidenethiazolidine Ring
Authors: Xu Liang‐Zhong , Li Wei‐Hua , Si Guo‐Dong , Li Kai , Yang Shuang‐Hua , Hou Bao‐Rong
Published: November 2005

The two compounds 1‐[1‐(2′,4′‐dichlorobenzoyl)‐1‐(3‐phenylthiazolidin‐2‐ylidene)methyl]‐1,2,4‐triazole (3a) and 1‐[1‐(4′‐fluorobenzoyl)‐1‐(3‐phenylthiazolidin‐2‐ylidene)methyl]‐1,2,4‐triazole (3b) were prepared by reaction of phenyl isothiocyanate, 1,2‐dibromoethane with α‐(1,2,4‐triazol‐1‐yl)‐substituted‐acetylbenzene. Their structures were identified by means of elemental analysis, IR, and 1H NMR spectra. The single crystal of compound 3b was also obtained. It crystallizes in triclinic system with space group $ P {\bar 1} $ and a=0.9390(2) nm, b=0.9661(2) nm, c=1.0929(2) nm, α=111.53(3)°, β=100.46(3)°, γ=102.08(3)°, Z=2, V=0.8647(3) nm3, Dc=1.407 g/cm3, μ=0.213 mm−1, F(000)=380, final R1=0.073. There is obvious potentially weak CH···Y (Y=N, F, O) intermolecular interaction between the molecules in the crystal lattice, which stabilizes the crystal structure. The result of the biological test showed that the two compounds have certain fungicidal activities.
Presence of a novel inhibitor of capping protein in neutrophil extract
Authors: Huang Minzhou , Pring Martin , Yang Changsong , Taoka Masato , Zigmond Sally H.
Published: November 2005

Capping of actin filament barbed ends regulates the duration of filament elongation and the steady‐state level of actin polymerization. We find that the specific capping activity (capping activity per milligram protein) increased when a high speed supernatant of lysed neutrophils was diluted with buffer. The specific capping activity also increased when the concentration of barbed ends increased. This suggested the presence of a capping protein inhibitor that dissociates from capping protein upon dilution and that competes with barbed ends for binding to capping protein. Gel filtration of supernatant revealed a fraction of low‐molecular‐weight inhibitor (separated from capping protein) that both inhibited and reversed capping of barbed ends by pure capping protein. The properties and molecular weight of this inhibitor do not match with those of other inhibitors including V‐1, VASP, or CARMIL. Thus, this inhibitor must either be a modified version of a known inhibitor or a novel inhibitor of capping. Cell Motil. Cytoskeleton 62:232–243, 2005. © 2005 Wiley‐Liss, Inc.
5‐fluorouracil interferes with actin organization, stress fiber formation and cell migration in corneal endothelial cells during wound repair along the natural basement membrane
Authors: Gordon Sheldon R. , Climie Michelle , Hitt Anne L.
Published: November 2005

Corneal endothelial cells respond to a circular freeze wound by undergoing actin cytoskeletal reorganization that is mainly characterized by the disappearance of circumferential microfilament bundles (CMBs) and the subsequent appearance of distinct stress fibers. This cytoskeletal rearrangement is associated with changes in cell shape as migrating cells lose their polyhedral appearance, spread out, and assume a stellate morphology with cell processes extending outward into the injured area. We report here that in the presence of low concentrations (0.01–0.l mM) of the anti‐metabolite 5‐fluorouracil (5‐FU), characteristic actin organization becomes disrupted and migrating cells do not display elongated processes typical of control tissues and translocation into the injury zone is retarded, but not inhibited. Rhodamine phalloidin staining revealed no evidence of stress fiber formation. A higher concentration of 5‐FU (1.0 mM) not only prevented formation of discernible stress fibers but also resulted in a more restricted cell movement during wound repair. That this was not a cytotoxic effect was demonstrated by transferring tissues back into standard medium allowing endothelia to reinitiate migration and undergo complete wound healing by 72 h post‐transfer. Overnight incubation of endothelia in 4 μM phallacidin resulted in limited CMB disruption the extent of which was dependent on the 5‐FU concentration. The effects of 5‐FU on the actin cytoskeleton are reversible and by 24 h after placing treated endothelia into medium without 5‐FU, actin begins to become re‐established and by 48 h microfilament patterns in the tissue resemble those of non‐treated endothelia. Similarly, when noninjured tissues are cultured in the presence of 5‐FU for 24 h, subsequently injured and returned to standard medium, they exhibit no stress fibers when observed at 24 h post‐wounding. However, by 48 h post‐injury these cells now display stress fibers and extend processes into the wound area. Biochemical studies on isolated muscle actin demonstrated that actin polymerization is unaffected in the presence of either 0.01 or 1 mM 5‐FU as determined by the F‐actin sedimentation and falling ball viscosity techniques. Thus, the mechanism(s) by which 5‐FU exerts its actions on the actin cytoskeleton appears to be one of an indirect nature. Cell Motil. Cytoskeleton 62:244–258, 2005. © 2005 Wiley‐Liss, Inc.
CLAMP, a novel microtubule‐associated protein with EB‐type calponin homology
Authors: Dougherty Gerard W. , Adler Henry J. , Rzadzinska Agnieszka , Gimona Mario , Tomita York , Lattig M. Claudia , Merritt Raymond C. , Kachar Bechara
Published: November 2005

In the Addendum on page 154 and in the article's reference section, the reference, Chan et al., 2005 was omitted. The sentence in the Addendum should have read:

After submission of this manuscript, a report [Chan et al., 2005] described a gene sequence named Spef1 that is identical to CLAMP and is localized to mouse sperm flagella.

The full reference for Chan et al., 2005 is as follows:

Chan SW, Fowler KJ, Choo KH, Kalitsis P. 2005. Spef1, a conserved novel testis protein found in mouse sperm flagella. Gene 353 (2): 189–199.
A randomized, postremission comparison of four courses of standard‐dose consolidation therapy without maintenance therapy versus three courses of standard‐dose consolidation with maintenance therapy in adults with acute myeloid leukemia
Authors: Miyawaki Shuichi , Sakamaki Hisashi , Ohtake Shigeki , Emi Nobuhiko , Yagasaki Fumiharu , Mitani Kinuko , Matsuda Shin , Kishimoto Yuji , Miyazaki Yasushi , Asou Norio , Matsushima Takafumi , Takahashi Masatomo , Ogawa Yoshiaki , Honda Sumihisa , Ohno Ryuzo
Published: November 2005

BACKGROUND

A major concern in the treatment of patients with acute myeloid leukemia (AML) is how to prevent disease recurrences. Although intensive consolidation therapy has proven useful, the effectiveness of maintenance therapy remains controversial.

METHODS

Seven hundred eighty‐nine patients ages 15–64 (median: 45 yrs) with de novo AML received induction therapy, which consisted of cytosine arabinoside (at a dose of 100 mg/m2 on Days 1–7) and idarubicin (at a dose of 12 mg/m2 on Days 1–3). The patients who achieved complete remission (CR) were then randomized into groups that received either four courses of standard‐dose consolidation therapy without maintenance (Arm A) or three courses of standard‐dose consolidation and six courses of maintenance therapy (Arm B).

RESULTS

In total, 78.7% of patients achieved CR. The 5‐year overall survival (OS) rate for the 789 eligible patients was 46.9%, and the disease‐free survival (DFS) rate for the 621 patients who achieved CR was 32.9%. The 5‐year OS rate for Arm A was 52.4%, and 58.4% for Arm B (P = 0.599). The 5‐year DFS rate for the patients who achieved CR was 35.8% in Arm A and 30.4% in Arm B (P = 0.543). In analyzing the data according to the risk groups, no statistical difference was observed either in the 5‐year OS rate or in the 5‐year DFS rate between the 2 arms.

CONCLUSIONS

In the current study, the Japan Adult Leukemia Study Group's conventional postremission therapy (three courses of standard‐dose consolidation and six courses of maintenance therapy) was replaced successfully by a shorter duration of four courses of standard‐dose consolidation therapy without the need for additional maintenance therapy. Cancer 2005. © 2005 American Cancer Society.
Risk factors for chemotherapy‐associated venous thromboembolism in a prospective observational study
Authors: Khorana Alok A. , Francis Charles W. , Culakova Eva , Lyman Gary H.
Published: November 2005

BACKGROUND

The incidence of venous thromboembolism (VTE) is increased in cancer, but little information is available about risk factors in cancer patients on chemotherapy.

METHODS

We analyzed data from a prospective, multicenter observational study to determine the frequency and risk factors for VTE in ambulatory cancer patients initiating a new chemotherapy regimen. The association of VTE with clinical variables was characterized using univariate and multivariate analysis.

RESULTS

Among 3003 patients treated with at least one cycle of chemotherapy, VTE occurred in 58 (1.93%) over a median follow‐up of 2.4 months (0.8%/mo). The incidence varied significantly by site of cancer (P = 0.01) with highest rates in upper gastrointestinal (2.3%/mo) and lung cancer (1.2%/mo), and lymphoma (1.1%/mo). An elevated prechemotherapy platelet count was significantly associated with an increased rate of VTE (P for trend = 0.005). The incidence of VTE was 3.98% (1.66%/mo) for patients with a prechemotherapy platelet count ≥ 350,000, compared with 1.25% (0.52%/mo) for patients with platelet counts of < 200,000 (P for trend=0.0003). In multivariate analysis, a prechemotherapy platelet count of ≥ 350,000/mm3 (adjusted OR 2.81, 95% CI 1.63–4.93, P = 0.0002), site of cancer, hemoglobin < 10g/dL or use of erythropoietin, and use of white cell growth factors in high‐risk sites of cancer were significantly associated with VTE.

CONCLUSIONS

Symptomatic VTE is a frequent complication of chemotherapy. The prechemotherapy platelet count is a unique risk factor and can help identify high‐risk patients for future trials of thromboprophylaxis. Cancer 2005. © 2005 American Cancer Society.
Adjuvant systemic therapy for male breast carcinoma
Authors: Giordano Sharon H. , Perkins George H. , Broglio Kristine , Garcia Sherry G. , Middleton Lavinia P. , Buzdar Aman U. , Hortobagyi Gabriel N.
Published: November 2005

BACKGROUND

In the current study, the authors describe the M. D. Anderson experience with adjuvant systemic therapy in male breast carcinoma patients.

METHODS

A total of 156 men with a diagnosis of breast carcinoma registered and were treated at the M. D. Anderson Cancer Center between 1944 and 2001. One hundred thirty‐five men had nonmetastatic breast carcinoma at diagnosis and were included in this analysis. Patients' charts were retrospectively reviewed to obtain details of patient characteristics, adjuvant therapy, and outcomes. Analysis was performed with descriptive statistics; the log rank test was used to compare outcomes.

RESULTS

The median patient age was 59 years (range, 25–80 yrs). Median follow‐up was 13.8 years (range, 0.6–32.5 yrs). Sixty percent of patients had tumors 2 cm or smaller. Pathologic lymph node involvement was seen in 55% of patients. Tumors were estrogen receptor‐positive in 85% of cases and progesterone receptor‐positive in 71%. Chemotherapy was administered to 32 men (84% with adjuvant chemotherapy, 6% with neoadjuvant chemotherapy, and 9% with both). Approximately 81% received anthracycline‐based regimens; 9% received additional taxanes; and 16% were treated with cyclophosphamide, methotrexate, and 5‐fluorouracil (CMF). The median number of cycles was 6 (range, 4–14 cycles). Thirty‐eight men received adjuvant hormonal therapy (92% received tamoxifen and 8% were treated with other therapy). The 5‐year and 10‐year overall survival rates were 86% and 75%, respectively, for men with lymph node‐negative disease and 70% and 43%, respectively, for men with lymph node‐positive disease. For men with lymph node‐positive disease, adjuvant chemotherapy was associated with a lower risk of death (hazards ratio [HR] of 0.78), although this difference was not statistically significant. Overall survival was significantly better for men who received adjuvant hormonal therapy (HR of 0.45; P = 0.01).

CONCLUSIONS

This relatively large series of men with breast carcinoma suggests that men benefit from adjuvant systemic therapy for breast carcinoma, with the greatest benefit from adjuvant hormonal therapy. Cancer 2005. © 2005 American Cancer Society.
Zoledronic acid suppresses lung metastases and prolongs overall survival of osteosarcoma‐bearing mice
Authors: Ory Benjamin , Heymann Marie‐Françoise , Kamijo Akira , Gouin François , Heymann Dominique , Redini Françoise
Published: November 2005

BACKGROUND

Although there is no doubt that bisphosphonates (BPs), specific inhibitors of osteoclasts, are beneficial for the treatment of bone metastases, their effects on visceral metastases are unclear. The effect of zoledronic acid (ZOL) was examined in vivo on lung metastasis progression and animal survival, and in vitro on the cellular mechanisms involved.

METHODS

An animal model of lung metastasis was developed in C3H/He mice inoculated intravenously with a spontaneous murine osteosarcoma POS‐1 cell line. Lung metastasis was determined at the time of autopsy. ZOL was assessed in vitro on POS‐1 cell proliferation, cell cycle progression, and caspase‐1 and ‐3 activities.

RESULTS

The overall survival in five independent experiments (two series treated with ZOL 0.1 mg/kg twice a week, and three series with 0.1 mg/kg five times a week) showed a significant increase of the actuarial survival: 0.422 ± 0.07 in ZOL‐treated animals versus 0.167 ± 0.07 in controls (P = 0.036). Lung metastases were absent in all ZOL‐treated mice that survived more than 21 days postinjection as revealed by macroscopic and histologic analysis. In vitro, a 48‐hour incubation with 10 μM ZOL inhibited POS‐1 cell line proliferation associated with cell cycle arrest in S‐phase. In addition, ZOL induced a weak increase of caspase‐3 activity, but not caspase‐1.

CONCLUSION

We demonstrate that ZOL exerts a direct antitumor effect on POS‐1 cells in vitro, significantly diminishes osteosarcoma‐induced lung metastasis in vivo, thereby prolonging survival of POS‐1‐inoculated animals. Cancer 2005. © 2005 American Cancer Society.
Psychiatric disorders and mental health service use in patients with advanced cancer
Authors: Kadan‐Lottick Nina S. , Vanderwerker Lauren C. , Block Susan D. , Zhang Baohui , Prigerson Holly G.
Published: November 2005

BACKGROUND

Psychological morbidity has been proposed as a source of distress in cancer patients. This study aimed to: 1) determine the prevalence of diagnosable psychiatric illnesses, and 2) describe the mental health services received and predictors of service utilization in patients with advanced cancer.

METHODS

This was a cross‐sectional, multi‐institutional study of 251 eligible patients with advanced cancer. Eligibility included: distant metastases, primary therapy failure, nonpaid caregiver, age ≥20 years, stamina for the interview, English or Spanish‐speaking, and adequate cognitive ability. Trained interviewers administered the Structured Clinical Interview for the Diagnostic Statistical Manual IV (DSM‐IV) modules for Major Depressive Disorder, Generalized Anxiety Disorder, Panic Disorder, Post‐Traumatic Stress Disorder, and a detailed questionnaire regarding mental health service utilization.

RESULTS

Overall, 12% met criteria for a major psychiatric condition and 28% had accessed a mental health intervention for a psychiatric illness since the cancer diagnosis. Seventeen percent had discussions with a mental health professional; 90% were willing to receive treatment for emotional problems. Mental health services were not accessed by 55% of patients with major psychiatric disorders. Cancer patients who had discussed psychological concerns with mental health staff (odds ratio [OR] = 19.2; 95% confidence interval [95% CI], 8.90–41.50) and non‐Hispanic white patients (OR = 2.7; 95% CI, 1.01–7.43) were more likely to receive mental health services in adjusted analysis.

CONCLUSIONS

Advanced cancer patients experience major psychiatric disorders at a prevalence similar to the general population, but affected individuals have a low rate of utilizing mental health services. Oncology providers can enhance utilization of mental health services, and potentially improve clinical outcomes, by discussing mental health concerns with their patients. Cancer 2005. © 2005 American Cancer Society.
BRCA1 and BRCA2 mutations account for a large proportion of ovarian carcinoma cases
Authors: Pal Tuya , Permuth‐Wey Jenny , Betts Judith A. , Krischer Jeffrey P. , Fiorica James , Arango Hector , LaPolla James , Hoffman Mitchell , Martino Martin A. , Wakeley Katie , Wilbanks George , Nicosia Santo , Cantor Alan , Sutphen Rebecca
Published: November 2005

BACKGROUND

It is believed that BRCA1 and BRCA2 germline mutations account for the majority of hereditary ovarian carcinomas; however, to the authors' knowledge, there are scant data on the prevalence and spectrum of mutations, genotype/phenotype correlations, tumor histology, and family history characteristics. To address this gap, the authors conducted a population‐based study of 232 incident epithelial ovarian carcinomas in the Tampa Bay area.

METHODS

Genetic testing for the BRCA1 and BRCA2 genes was performed through full sequencing and BRCA1 rearrangement testing.

RESULTS

Of 209 women with invasive ovarian carcinoma, 32 women (15.3%) had mutations in BRCA1 or BRCA2, including 20 BRCA1 mutations and 12 BRCA2 mutations. Of the BRCA2 mutations, 58% were outside the “ovarian cancer cluster region” (OCCR). Variants of uncertain significance were detected in 8.2% of women with invasive ovarian carcinoma. No mutations were identified in women with borderline or invasive mucinous tumors. Among the BRCA mutation‐positive women, 63% had serous tumors. A family history of breast and/or ovarian carcinoma was reported in 65%, 75%, and 43.5% of relatives of BRCA1 carriers, BRCA2 carriers, and non‐BRCA1/BRCA2 carriers, respectively.

CONCLUSIONS

The data from this study suggested that 1) previous studies may have underestimated the frequency of BRCA1 and BRCA2 mutations in ovarian carcinomas, especially outside the OCCR; 2) it may be reasonable to offer genetic counseling to any woman with an invasive, nonmucinous epithelial ovarian tumor; and 3) among patients with invasive ovarian carcinoma, family history is not sufficiently accurate to predict mutation status. Cancer 2005. © 2005 American Cancer Society.
Five genes from chromosomal band 8p22 are significantly down‐regulated in ovarian carcinoma
Authors: Pils Dietmar , Horak Peter , Gleiss Andreas , Sax Cornelia , Fabjani Gerhild , Moebus Volker J. , Zielinski Christoph , Reinthaller Alexander , Zeillinger Robert , Krainer Michael
Published: November 2005

BACKGROUND

Loss of heterozygosity on chromosomal band 8p22 is a common event in several epithelial tumors including ovarian carcinoma. So far, no clear evidence for a tumor suppressor gene (TSG) in this region has been found.

METHODS

On the basis of publicly available expression data in ovarian tissues, the authors selected the eight most noteworthy genes from 8p22 (DLC1, N33, ZDHHC2, FLJ32642, PDGFRL, MTSG1, PCM1, and EFA6R) for a detailed expression analysis in 58 primary ovarian carcinoma tissues and in 38 ovarian cancer cell lines by using quantitative real‐time reverse transcriptase‐polymerase chain reaction (qRT‐PCR). Expression data were correlated to various clinicopathologic characteristics and survival.

RESULTS

Two genes showed a significantly (P< 0.05) lower expression in grade 3 tumors compared with tumors of lower grade (N33) or compared with normal controls and tumors with lower grade (EFA6R). Expression of N33 and EFA6R seems to have an impact on survival, in particular when the combined expression of both genes was used as predictive factor (P< 0.003). In addition, N33 and EFA6R showed a complete loss of expression in several ovarian cancer cell lines. Three genes (FLJ32642, MTSG1, and PCM1) had a significantly (P< 0.001, P< 0.004, and P< 0.001) lower expression in primary ovarian carcinoma compared with controls (ovarian tissues and cysts).

CONCLUSIONS

Two to five new potential tumor suppressor or antagonizing gene candidates (N33 and EFA6R with impact on survival, and potentially FLJ32642, MTSG1, and PCM1) for ovarian carcinoma, were identified from the chromosomal band 8p22 and are promising candidates for further functional analysis in ovarian carcinoma. Cancer 2005. © 2005 American Cancer Society.
An adaptive parallel query processing middleware for the Grid
Authors: Da Silva V. F. V. , Dutra M. L. , Porto F. , Schulze B. , Barbosa A. C. , de Oliveira J. C.
Published: November 2005

Grid services provide an important abstract layer on top of heterogeneous components (hardware and software) that take part in a Grid environment. In this scenario, applications such as scientific visualization require access to data of non‐conventional data types, such as fluid path geometry, and the evaluation of special user programs and algebraic operators, such as spatial hash‐join, on these data. In order to support such applications we are developing a Configurable Data Integration Middleware System for the Grid (CoDIMS‐G). CoDIMS‐G provides a query execution environment adapted to the heterogeneity and variations found in a Grid environment by offering a node scheduling algorithm and an adaptive query execution strategy. The latter both adapts to performance variations in a scheduled node and deals efficiently with repetitive evaluation of a query execution plan fragment, as needed for computing a particle's, trajectory. Copyright © 2005 John Wiley & Sons, Ltd.
IQ‐Services: network‐aware middleware for interactive large‐data applications
Authors: Cai Zhongtang , Eisenhauer Greg , He Qi , Kumar Vibhore , Schwan Karsten , Wolf Matthew
Published: November 2005

IQ‐Services are application‐specific, resource‐aware code modules executed by data transport middleware. They constitute a ‘thin’ layer between application components and the underlying computational and communication resources. This layer implements the data manipulations necessary to permit wide‐area collaborations to proceed smoothly in the presence of dynamic resource variations. IQ‐Services interact with the application and resource layers via dynamic performance attributes, and end‐to‐end implementations of such attributes also permit clients to interact with data providers. The joint middleware/resource and provider/consumer interactions implemented with performance attributes may be used to realize effective methods for managing the data flows in the large‐data, distributed Grid applications targeted by our research. Experimental results in this paper demonstrate substantial performance improvements. These are attained by coordinating network‐level with service‐level adaptations of the data being transported and by permitting end users to dynamically deploy and use application‐specific services for manipulating data in ways suitable for their current needs. Copyright © 2005 John Wiley & Sons, Ltd.
A static resource allocation framework for Grid‐based streaming applications
Authors: Chen Liang , Agrawal Gagan
Published: November 2005

A number of applications increasingly rely on, or can potentially benefit from, analysis and monitoring ofdata streams. To support the processing of streaming data in a Grid environment, we have been developing a middleware system called GATES (Grid‐based AdapTive Execution on Streams). Our target applications are those involving high‐volume data streams and requiring distributed processing of data arising from a distributed set of sources. This paper addresses the problem of resource allocation in the GATES system. Although resource discovery and resource allocation have been active topics in Grid community, the pipelined processing and real‐time constraint required by distributed streaming applications pose new challenges. We present a resource allocation algorithm that is based on minimal spanning trees. We evaluate the algorithm experimentally and demonstrate that it results in configurations that are very close to optimal, and significantly better than most other possible configurations. Copyright © 2005 John Wiley & Sons, Ltd.
Resource allocation for remote desktop sessions in Utility Grids
Authors: Talwar Vanish , Agarwalla Bikash , Basu Sujoy , Kumar Raj , Nahrstedt Klara
Published: November 2005

Emerging large‐scale utility computing systems such as Grids promise computing and storage to be provided to end users as a utility. System management services deployed in the middleware are a key to enabling this vision. Utility Grids provide a challenge in terms of scale, dynamism and heterogeneity of resources and workloads. In this paper, we present a model‐based architecture for resource allocation services for Utility Grids. The proposed service is built in the context of interactive remote desktop session workloads and takes application performance QoS models into consideration. The key design guidelines are hierarchical request structure, application performance models, remote desktop session performance models, site admission control, multi‐variable resource assignment system and runtime session admission control. We have also built a simulation framework that can handle mixed batch and remote desktop session requests, and have implemented our proposed resource allocation service into the framework. We present some results from experiments using the framework. Our proposed architecture for resource allocation services addresses the needs of emerging utility computing systems and captures the key concepts and guidelines for building such services in these environments. Copyright © 2005 John Wiley & Sons, Ltd.
Adsorption of Amyloid β‐Peptide at Polymer Surfaces: A Neutron Reflectivity Study
Authors: Rocha Sandra , Krastev Rumen , Thünemann Andreas F. , Pereira M. Carmo , Möhwald Helmuth , Brezesinski Gerald
Published: November 2005

The adsorption of amyloid β‐peptide at hydrophilic and hydrophobic modified silicon–liquid interfaces was characterized by neutron reflectometry. Distinct polymeric films were used to obtain noncharged (Formvar), negatively (sodium poly(styrene sulfonate)) and positively charged (poly(allylamine hydrochloride)) hydrophilic as well as hydrophobic surfaces (polystyrene and a polysiloxane–dodecanoic acid complex). Amyloid β‐peptide was found to adsorb at positively charged hydrophilic and hydrophobic surfaces, whereas no adsorbed layer was detected on hydrophilic noncharged and negatively charged films. The peptide adsorbed at the positively charged film as patches, which were dispersed on the surface, whereas a uniform layer was observed at hydrophobic surfaces. The thickness of the adsorbed peptide layer was estimated to be approximately 20 Å. The peptide formed a tightly packed layer, which did not contain water. These studies provide information about the affinity of the amyloid β‐peptide to different substrates in aqueous solution and suggest that the amyloid fibril formation may be driven by interactions with surfaces.
Energy‐Transfer Efficiency in Stacked Oligo(p‐phenylene vinylene)s: Pronounced Effects of Order
Authors: Hoeben Freek J. M. , Schenning Albertus P. H. J. , Meijer E. W.
Published: November 2005

The supramolecular structure of two types of oligo(p‐phenylene vinylene) (OPV) building blocks in dodecane solution is studied. Monofunctional chromophores (MOPV) form well‐defined helical assemblies, whereas bifunctional molecules (BOPV) aggregate into so‐called frustrated stacks, lacking any higher helical order. This difference in organization has a major influence on the transfer of excitation energy through the assemblies. Energy transfer to supramolecularly incorporated guests (MOPV with lower bandgap) is used to probe the intrinsic differences in exciton mobility in these two types of mixed aggregates. From the observed donor fluorescence quenching, it can be concluded that the helically ordered nature of the MOPV stacks facilitates the transfer of excitation energy, yielding evidence for higher exciton mobility in the well‐ordered assemblies than in the frustrated stacks. Finally, the concept of energy transfer in supramolecular assemblies is extended to the solid state by the successful implementation in a light‐emitting diode (LED).
Image Contrast Analysis of STM Images of Self‐Assembled Dioctadecyl Chalcogenides on Graphite at the Liquid–Solid Interface
Authors: Fukumura Hiroshi , I‐i Daizo , Uji‐i Hiroshi , Nishio Satoru , Sakai Hitoshi , Ohuchi Akihiko
Published: November 2005

The structures of self‐assembled monolayers of dioctadecyl selenide (CH3(CH2)17)2Se and dioctadecyl telluride (CH3(CH2)17)2Te, as well as dioctadecyl ether (CH3(CH2)17)2O and dioctadecyl sulfide (CH3(CH2)17)2S, on graphite at the liquid–solid interface were systematically investigated by scanning tunneling microscopy (STM). Both dioctadecyl selenide and telluride formed monolayer structures in which the tilt angle between the molecular axis of the alkyl chain and the lamellae axis was 90°, while dioctadecyl ether assembled with a tilt angle of 60°. Dioctadecyl sulfide was found to make two different self‐assembled structures having tilt angles of 60 and 90°. When selenide was embedded in ether compounds in mixed self‐assembled monolayers, the alkyl chains of the selenide became blurred, implying that the alkyl chains in the monolayers were unstable. This is in contrast with the structure of co‐adsorbed monolayers of the ether and sulfide compounds, where the images of all alkyl chains had high spatial resolution. For the co‐adsorbed monolayers, the image contrast of chalcogen atoms was normalized compared with that of alkyl chains of the ether compound in the same image frame. The normalized image contrast was found to be independent of the measurement conditions involving tip shapes, having the following trend, Te>Se>S>C>O. The difference in the normalized image contrast among chalcogen atoms are discussed based on fundamental parameters like polarizability and atomic radii.
The Trigonal Bipyramidal MN3M Species: A New Kind of Aromatic Complex Containing a Multiple‐Fold Aromatic N3 Subunit
Authors: Li Ying , Li Zhi‐Ru , Wu Di , Chen Wei , Sun Chia‐Chung
Published: November 2005

A new kind of aromatic trigonal bipyramidal MN3M (M=Be, B, Mg, Al, and Ca) species, with all real frequencies, is obtained at the MP2/6‐311+G(3d) level. The nucleus‐independent chemical shift values are −102.16 ppm for the N33− ring, and −74.09, −79.39, −65.06, −74.44, and −62.33 ppm (at the geometrical center of the trigonal bipyramid) for BeN3Be, BN3B, MgN3Mg, AlN3Al, and CaN3Ca, respectively. Molecular orbital analysis indicates that the regular triangular N33− ring and each MN3M species have three aromatic six‐electron systems (π, σp, and σs) and exhibit threefold aromaticity. The CaN3Ca species has a very low vertical ionization energy of 3.64 eV at the CCSD(T)/6‐311+G(3d) level, which is even lower than the ionization energy (3.9 eV) of the Cs atom. Therefore, CaN3Ca can be considered as a new superalkali species. A further study on the CaN3CaCl molecule confirms the superalkali characteristics of CaN3Ca. Two interesting phenomena are explored in the MN3M species: the delocalized electron cloud of the N3 subunit is elongated by two M cations, and the electron clouds of two M cations are distended by the N33− ring.
Photophysical Properties of BODIPY‐Derived Hydroxyaryl Fluorescent pH Probes in Solution
Authors: Qin Wenwu , Baruah Mukulesh , Stefan Alina , Van der Auweraer Mark , Boens Noël
Published: November 2005

The photophysical properties of five fluorescent pH probes derived from 4,4‐difluoro‐4‐bora‐3a,4a‐diaza‐s‐indacene with phenolic or naphtholic subunits at position 8 and with substituents having different electron driving forces at positions 3 and 5 have been investigated in several organic solvents, by means of absorption, steady‐state, and time‐resolved fluorimetry. For each compound, the fluorescence quantum yield and lifetime are lower in solvents with higher polarity, owing to an increase in the rate of nonradiative deactivation. The rate constants for radiative deactivation, kf, are nearly constant for all dyes in all solvents studied [kf=(1.7±0.2)×108 s−1]. In aqueous solution, these probes undergo a reversible protonation–deprotonation in the near‐neutral to basic pH range, producing intensity increases with lower pH. The pKa values of the indicators are between 7.5 and 9.3, depending on the substitution pattern on positions 3, 5, and 8. The difference between the absorption and excitation spectra as a function of pH is indicative of the presence of two species in aqueous solution: the phenol‐ or naphthol‐based indicator and its conjugate base.
Energy Transfer by a Hopping Mechanism in Dinuclear IrIII/RuII Complexes: A Molecular Wire?
Authors: Welter Steve , Lafolet Frédéric , Cecchetto Elio , Vergeer Frank , De Cola Luisa
Published: November 2005

The synthesis and electrochemical and photophysical properties of a series of heterodinuclear ruthenium–iridium complexes linked by a modular para‐phenylene bridge [Ir–phn–Ru]3+ (Ir=Ir(ppyFF)2bpy, Ru=Ru(bpy)3, ppyFF=2‐(2,4‐difluorophenyl)pyridine), bpy=2,2′‐bipyridine, ph=phenylene, n=2, 3, 4, 5) are reported. The use of a high‐energy iridium complex, which can act as an energy donor when coupled to the lower energy ruthenium‐based component, allows the investigation of photoinduced energy transfer from the excited iridium‐centre to the ruthenium fragment (energy acceptor). The rate constants of the energy‐transfer processes are determined by time‐resolved emission and sub‐picosecond transient absorption spectroscopy. Interestingly, there is almost no decrease in transfer efficiency or rates as the length between the two chromophores (number of spacers) is increased. This “molecular wire” behavior indicates the dominance of the incoherent hopping mechanism, allowing a very fast energy transfer over long distances (with n=5 the metal‐to‐metal distance is estimated to be 32.5 Å). This is the first case in which such behavior is observed for metal complexes, and could lead to new development in molecular electronics.
Normal lymphocytes from leukemic samples as an internal quality control for fluorescence intensity in immunophenotyping of acute leukemias
Authors: Ratei Richard , Karawajew Leonid , Lacombe Francis , Jagoda Krystyna , Del Poeta Giovanni , Kraan Jaco , De Santiago Maria , Kappelmayer János , Björklund Elisabeth , Ludwig W.‐D. , Gratama Jan , Orfao Alberto
Published: November 2005

Background

Multiparametric flow cytometry has become an indispensable but complex tool for the diagnosis of acute leukemias. Interpretation of immunophenotypic data within a six‐parameter analytical space relies on the standardization and validation of the instrument, the reagents, and the procedure. To address whether or not residual normal lymphocytes, usually present within leukemic samples, can serve as internal quality control for fluorescence intensity, 116 leukemic and 35 normal samples were analyzed.

Methods

Eight laboratories participated in the study and recruited a total of 151 individuals including 29 patients with B‐cell precursor acute lymphoblastic leukemia (BCP‐ALL), 77 with acute myeloid leukemia (AML), 10 with T‐cell precursor acute lymphoblastic leukemia (T‐ALL), and 35 normal bone marrow donors. Lymphocytes were gated according to the CD45hi/SSClo gating strategy, after which median fluorescence intensities (MFI) as well as percentages of positive cells (%positive) for CD19, CD22, CD7, and CD3 were recorded. Nonparametric statistics were used to compare variation within and between laboratories.

Results

Normal lymphocytes within leukemic samples do not show substantial differences compared to lymphocytes from normal controls with respect to expression of CD19, CD22, CD7, and CD3. In particular, longitudinal control charts of MFI values for CD3 antigen provide useful information on analytical and instrument performance.

Conclusion

Residual normal lymphocytes can serve as internal quality control for studies addressing fluorescence intensity in the setting of immunophenotyping of acute leukemias. © 2005 Wiley‐Liss, Inc.
A perceptual quality model intended for adaptive VoIP applications
Authors: Hoene Christian , Karl Holger , Wolisz Adam
Published: November 2005

Quality models predict the perceptual quality of services as they calculate subjective ratings from measured parameters. In this article, we present a new quality model that evaluates Voice over IP (VoIP) telephone calls. In addition to packet loss rate, coding mode and delay, it takes into account the impairments due to changes in the transmission configuration (e.g. switching the coding mode or re‐scheduling the playout time). Moreover, this model can be used at run time to control the transmission of such calls. It is also computationally efficient and open source.

To demonstrate the potential of our model, we apply it to select the ideal coding and packet rate in bandwidth‐limited environments. Furthermore, we decide, based on model predictions, whether to delay the playout of speech frames afterdelay spikes. Delay spikes often occur after congestion and cause packets to arrive too late. We show a considerable improvement in perceptual speech quality if our model is applied to control VoIP transmissions. Copyright © 2005 John Wiley & Sons, Ltd.
An approximate analysis of shared‐buffer channel‐grouped ATM switches under imbalanced traffic
Authors: Dang Xuan‐Hien , Abonamah Abdullah A.
Published: November 2005

Grouping output channels in a shared‐buffer ATM switch has shown to provide great saving in buffer space and better throughput under uniform traffic. However, uniform traffic does not represent a realistic view of traffic patterns in real systems. In this paper, we extend the queuing analysis of shared‐buffer channel‐grouped (SBCG) ATM switches under imbalanced traffic, as it better represent real‐life situations. The study focuses on the impact of the grouping factor and other key switch design parameters on the performance of such switches as compared to the unichannel allocation scheme in terms of cell loss probability, throughput, mean cell delay and buffer occupancy. Numerical results from both the analytical model and simulation are presented, and the accuracy of the analysis is presented. Copyright © 2005 John Wiley & Sons, Ltd.