bluuebunny/crossref_metadata_2025_split huggingface dataset:
Many‐body Interaction in 1,2,3‐Triazine‐(water)3 Complex
Authors: Li Quan , Huang Fang‐Qian 
Published: November 2005

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractPorous 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

AbstractThe 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

AbstractThe 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

AbstractSamarium 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

AbstractA 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

AbstractA 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

AbstractThe 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

AbstractCapping 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

AbstractCorneal 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

AbstractIn 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

AbstractBACKGROUNDA 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.METHODSSeven 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).RESULTSIn 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.CONCLUSIONSIn 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

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

AbstractBACKGROUNDIn the current study, the authors describe the M. D. Anderson experience with adjuvant systemic therapy in male breast carcinoma patients.METHODSA 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.RESULTSThe 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).CONCLUSIONSThis 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

AbstractBACKGROUNDAlthough 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.METHODSAn 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.RESULTSThe 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.CONCLUSIONWe 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.