bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of 4‐halo‐2 (5H)‐furanones and their suzuki‐coupling reactions with organoboronic acids. A general route to 4‐aryl‐2 (5 H) ‐furanones
Authors: Ma Sheng‐Ming , Shi Zhang‐Jie 
Published: September 2010

Abstract4‐Halo‐2(5H)‐furanones were prepared by the halolactonization of 2,3‐allenoic acids. The subsequent Suzuki coupling reaction of 4‐halo 2(5H)‐furanones with aryl boronic acids was carried out to produce 4‐aryl‐2(5H)‐furanones in excellent yields.
Palladium(II)‐catalyzed cyclization of W‐(2′,4′‐dienyl)‐2‐alkynamides to α‐alkylidene‐γ‐butyrolactams
Authors: He Xa , Lu H‐Yan , Liu Guo‐Sheng 
Published: September 2010

AbstractIn the presence of CuCl2, N‐(2′, 4′‐dienyl)‐2‐alkynamides can be converted to α‐alkylidene‐σ‐butyrolactams under the catalysis of palladium(II). In this reaction, CuCl2 is used to oxidize Pd(0) to regenerate Pd(II), or the carbon‐palladium bond is quenched by the oxidative cleavage reaction of CuCl2.
Neutral Pd(II) and Ni(II) acetylide complexes as single‐component initiators for polymerizations of butyl methacrylate and acrylates
Authors: Sun Hong‐Mei , Yang Mu‐Jie , Shen Qi 
Published: September 2010

AbstractHomogeneous polymerization of butyl methacrylate (BMA) using Pd(II)‐ and Ni(II)‐based acetylide complexes as single‐component initiators has been investigated in CHCl3 at 60°C. M(PPh3)2(C = CR)2 (M = Pd, Ni; R = Ph, CH2OH, CH2OOCCH3) were found to be a novel type of effective initiators for the polymerization of butyl methacrylate. Among them, Pd(PPh3)2(C‐CPh)2 (PPP) shows the highest activity. Besides, PPP alone can also initiate the homogeneous polymerizations of acrylates, e. g., methyl acrylate (MA), and n‐butyl acrylate (BA). The present type of polymerization is not hindered by the incorporation of hydroquinone.
Polymer‐supported 4‐aminoformoyldiphenylammonium triflate (PS‐AFDPAT): An efficient, recoverable and recyclable catalyst for esterification of carboxylic acids with equimolar amounts of alcohols
Authors: Lei Ming , Ma Cheng , Wang Yan‐Guang 
Published: September 2010

AbstractPolymer‐supported 4‐aminofonnoyldiphenylammonium triflate (PS‐AFDPAT) is an efficient catalyst for the esterification between equimolar amounts of carboxylic acids and alcohols under mild conditions, which can be recycled without loss of activity.
Catalytic Spectrophotometry Determination of Ultratrace Amounts of Silver with Solubilizing Effect of Nonionic Surfactant
Authors: Guo Xiao‐Jun , Deng Qi‐Liang , Peng Bo , Gao Jin‐Zhang , Kang Jing‐Wan 
Published: September 2010

AbstractThe synthesis and analytical properties of 4,4′‐bis(antipyrinyl‐4‐diazoamino) biphenyl (BAPDAB) were described for the first time. A catalytic kinetic method for the determination of silver was proposed. In the presence of Triton X‐100 as a solubilizing agent and 2,2′‐dipyridyl as an activator, silver has a very strong catalytic effect on oxidative decoloration of BAPDAB by persulfate in acetic add medium. The reaction was followed spectrophotometrically by measuring the decrease of absorbance of BAPDAB at 478 nm and 50 °C. The calibration graphs are of good linearity in the range of 8.0 × 10−10–1.0 × 10−6 mol/L by a fixed time method. The limit of detection is down to 5.0 × 10−10 mol/L. The catalytic reaction is pseudo‐first‐order with respect to silver, which in real samples was determined with satisfactory results.
Kinetics of the Action of Na2SeO3 on Bacillus subtilis Growth as Studied by Microcalorimetry
Authors: Liu Yi , Liang Hui‐Gang , Cao Jin‐Li , Zhao Ru‐Ming , Shen Ping , Qu Song‐Sheng , Yu Zi‐Niu 
Published: September 2010

AbstractMicrocalorimetric bioassay for acute cellular toxicity is based on metabolic heat production from cultured cells. The biological response to toxicants is the inhibition of the heat production rate in cells, and toxicity is expressed as the concentration of toxicant that is 50% effective in this inhibition (IC50). In mis paper, the effect of Na2SeO3 on Bacillus subtilis growth was investigated at 37 °C by microcalorimetry. The relationship between growth rate constants (k) and concentration of Na2SeO3 (c) shows a logarithmic normal distribution, and lC50 is 20.3 μg/mL. All these thermokinetic information is readily obtained by an LKB 2277–204 heat conduction microcalorimeter. Microcalorimetry is a quantitative, inexpensive, and versatile method for toxicology research.
Influence of Capping Ligands on the Self‐organization of Gold Nanoparticles into Superlattices from CTAB Reverse Micelles
Authors: Lin Jun , Zhou Wei‐Lie , Everett Carpenter , O'Connor Charles 
Published: September 2010

AbstractGold nanoparticles with size 3–10 nm (diameter) were prepared by the reduction of HAuCl4 in a CTAB/octane + 1‐butanol/H2O reverse micelle system using NaBH4 as the reducing agent. The as formed gold nanoparticle colloid was characterized by UV/vis absorption spectrum and transmission electron microscopy(TEM). Various capping ligands, such as alkylthiols with different chain length and shape, trioctylphosphine (TOP), and pyridine are used to passivate the gold nanoparticles for the purpose of self‐organization into superstructures. It is shown that the ligands have a great influence on the self‐organization of gold nanoparticles into superlattices, and dodecanethiol C12H25SH is confirmed to be the best ligand for the self‐organization. Self‐organization of C12H25SH‐capped gold nanoparticles into 1D, 2D and 3D superlattices has been observed on the carbon‐coated copper grid by TEM without using any selective precipitation process.
Metal Ion Enhanced Phosphorescence of 2,3‐Naphtho‐10‐aza‐15‐crown‐5: A Possible Molecular Photonic Operator
Authors: Li Li‐Qian , Zhang Li‐Ping , U. Li‐Zhu , Wang Bo‐Jie , Tung Chen‐Ho , Che Chi‐Ming 
Published: September 2010

AbstractA novel crown ether, 2,3‐naphtho‐10‐aza‐15‐crown‐5 (NAC) was synthesized. This compound does not show strong fluorescence and phosphorescence due to photoinduced intramolecular electron transfer from the nitrogen lone pair of electrons to the singlet excited state of the naphthalene chromophore. Complexation with heavy‐metal ions results in the quenching of the fluorescence and enhancement of the phosphorescence significantly. These observations were interpreted in terms of the binding interactions, between the nitrogen lone pair electrons and the metal cation, which prevent photoinduced intramolecular electron transfer, and the heavy‐atom effects which induce quenching of the fluorescence and enhancement of the phosphorescence. These azacrown and heavy‐metal‐based systems could be useful as potential chemical sensors and molecular photonic devices.
Assembly and Crystal Structure of a Novel 1‐D Coordination Polymer of Copper (II) with Thiocyanate and 4‐Cyanopyridine
Authors: Li Xiu‐Yan , Wang Ping , Guo Hong‐You , Wang Zhe‐Ming , Yan Chun‐Hua , Zhang Li‐Dan 
Published: September 2010

AbstractA novel one‐dimensional coordination polymer, Catena‐poly [bis(4‐cyano‐pyridyl) copper(II)‐di‐thiocyanate], 1∞ [CuII‐(cypy)2(μN.S‐SCN)2] (cypy = 4‐cyano‐pyridyl), was synthesized in a solution reaction of Cu(NO3)2·3H2O, 4‐cyano‐pyridine and KSCN in mole ratio of 1:2:2 at room temperature. Its crystal structure was determined by single‐crystal X‐ray diffraction. The crystal belongs to monoclinic crystal system, space group P21/c with cell parameters a = 1.0719(2), b = 1.8441(4), c =0.9144(2) nm, β = 110.49(3)° and Z = 4. A full‐matrix least‐squares refinement gave R1 = 0. 0393 and wR2= 0.0916 for 1554 reflections having 1 >2σ(I). The crystal is thermally stable up to approximately 170 °C.
Structures of N‐ (2,3,4,6‐Tetra‐O‐acetyl‐β‐D‐glycosyl) thiocarbamic Benzoyl Hydrazine
Authors: Zhang Shu‐Sheng , Lin Jie‐Hua , Jian Fang‐Fang , Jiao Kui 
Published: September 2010

AbstractThe crystal structure of N‐ (2,3,4,6‐Tetra‐O‐acetyl‐β‐D‐glycosyl)‐thiocarbamic benzoyl hydrazine (C22H27N3O9S) was determined by X‐ray diffraction method. The hexopyranosyl ring adopts a chair conformation. All the ring substituents are in the equatorial positions. The acetoxyl‐methyl group is in synclinal conformation. The S atom is in synperiplanar conformation while the benzoyl hydrazine moiety is anti‐periplanar. The thiocarbamic moiety is almost coplanar with the benzoyl hydrazine group. There are two intramolecular hydrogen bonds and one intermolecular hydrogen bond for each molecule in the crystal structure. The molecules form a network structure through intermolecular hydrogen bonds.
Synthesis, Structure and Characterization of Two‐dimensional Network Copper Complex [Cu3(nta)2(azpy)2(H2O)2]·6H2O
Authors: Li Bao‐Long , Xu Yan , Liu Qi , Wang Hua‐Qin , Xu Zheng 
Published: September 2010

AbstractThe copper(II) complex[Cu3(nta)2(azpy)2(H2O)2]·6H2O (nta = nitrilotriacetate, azpy = 4,4′‐azobispyridine) has been synthesized and characterized. The X‐ray analysis reveals that there are two kinds of copper(II) coordination environments. Cu(1) has a distorted square plane symmetry and Cu(2) has a distorted octahedral symmetry. Cu(1) is linked to Cu(2) through nta and bound to Cu(1C) by azpy, and Cu(2) is linked to Cu(2A) through azpy, which extends to two‐dimensional network with large rhombus 1.2 nm × 1.7 nm.
Synthesis and Electrochemical Performance of Spinel LiMn2O4‐x(SO4)x Cathode Materials
Authors: Chen Zhao‐Yong , He Yi , Li Zbi‐Jie , Gao Li‐Zhen , Jiang Qi , Yu Zuo‐Long 
Published: September 2010

AbstractThe spinel LiMn2O4‐x(SO4)x compound cathode materials were synthesized by solid‐state reaction of the calculated amounts of LiOH·H2O, MnO2 and MnSO4. The results of the electrochemical test demonstrated that these materials exhibited excellent electrochemical properties. The highest reversible capacity of these series of cathode materials was ∼ 120 mAh/g, and after 50 cycles, this reversible capacity was still around 116 mAh/g with nearly 100% reversible efficiency, which revealed that doped sulfate ion could improve the structural stability of spinel.
A Simple Access to Chalcones via Modified Mukaiyama Aldol Condensation Promoted by SmI3/TMSCl
Authors: Fan Xue‐Sen , Zhang Yong‐Min 
Published: September 2010

AbstractPromoted by SmI3, acetophenones and benzaldehydes can undergo the Mukaiyama type aldol condensation in the presence of TMSCl to form chalcones in good yields.
Density Functional Study on the Reaction Mechanism for the Reaction of Ni+ with Ethane
Authors: Zhang Dong‐Ju , Liu Cheng‐Bu , Liu Yong‐Jun , Hu Hai‐Quan 
Published: September 2010

AbstractThe mechanism of the reaction of Ni+ (2D) with ethane in the gas‐phase was studied by using density functional theory. Both the B3LYP and BLYP functionals with standard all‐electron basis sets are used to give the detailed information of the potential energy surface (PES) of [Ni, C2, H6]+. The mechanisms forming the products CH4 and H2 in the reaction of Ni+ with ethane are proposed. The reductive eliminations of CH4 and H2 are typical addition‐elimination reactions. Each of the two reactions consists of two elementary steps: C‐C or C‐H bond activations to form inserted species followed by isomerizations to form product‐like intermediate. The rate determining steps for the elimination reactions of forming CH4 and H2 are the isomerizations of the inserted species rather than C‐C or C‐H bond activations. The elimination reaction of forming H2 was found to be thermodynamically favored compared to that of CH4.
Photochemical Synthesis, Properties and X‐Ray Crystal Structure of Tetrabutylammonium Dodecamolybdophosphate Heteropoly Blue
Authors: Liu Shi‐Zhong , Li Jian‐Ping , Feng Xian‐Hua , Zhang Zheng‐Wen , Chen Jun‐Yang , Wang Zheng , Xing Yan , Jia Heng‐Qing , Lin Yong‐Hua 
Published: September 2010

AbstractThe title heteropoly blue, (Bu4N)6H10[PMo11VIMovO40]4 · H2O has been photochemically synthesized and characterized with elemental analysis, solid diffusion reflectance electronic spectra, CV, ESR, XFS, IR spectra, conductivity measurement and X‐ray single crystal analysis. The crystallographic data for C96H218Mo48N6O169P4 are as follows: Mr= 8889.76, triclinic, Pī, a = 1.4142 (3) nm, b = 2.6027 (5) nm, c = 2.6403 (5) nm, α= 113.96 (3)°, β = 90.05 (3)°, γ= 105.71 (3)°, V = 8.481 (3) nm3, Z = 1, Dc= 1.741 g/cm3, F (000) = 4264, μ = 1.798 mm−1. The X‐ray crystal structure analysis reveals that there is one independent molecule in the unit cell of the title heteropoly blue which contains four mixed‐valence heteropoly anions, six tetrabutylammonium cations and one water molecule. Its molecular structure possesses a centrosymmetrical arrangement in the unit cell. The phosphorus atom is in the crystallographic inversion center of the heteropoly anion and the eight oxygen atoms surrounding central phosphorus atom comprise of a distorted hexahedron. Heteropoly anion has two equal sets of PO4 tetrahedron. The PO4 tetrahedron and the MoO6 octahedron in the polyanion are greatly distorted.
Single Alternating Group Explicit (SAGE) Method for Electrochemical Finite Difference Digital Simulation
Authors: Deng Zhao‐Xiang , Lin Xiang‐Qin , Tong Zhong‐Hua 
Published: September 2010

AbstractThe four different schemes of Group Explicit Method (GEM): GER, GEL, SAGE and DAGE have been claimed to be unstable when employed for electrochemical digital simulations with large model diffusion coefficient DM. However, in this investigation, in spite of the conditional stability of GER and GEL, the SAGE scheme, which is a combination of GEL and GER, was found to be unconditionally stable when used for simulations of electrochemical reaction‐diffusions and had a performance comparable with or even better than the Fast Quasi Explicit Finite Difference Method (FQEFD) in some aspects. Corresponding differential equations of SAGE scheme for digital simulations of various electrochemical mechanisms with both uniform and exponentially expanded space units were established. The effectiveness of the SAGE method was further demonstrated by the simulations of an EC and a catalytic mechanism with very large homogeneous rate constants.
Studies on Electrochemical Behavior of Bleomycin and Its Interaction with DNA at a Co/GC Ion Implantation Modified Electrode
Authors: Hu Jing‐Bo , Li Qi‐Long , Shang Jun 
Published: September 2010

AbstractElectrochemical investigation of Bleomycin (BLM) and its interaction with DNA at a Co/GC ion implantation modified electrode was reported for the first time. The electrochemical behavior of BLM at Co/GC modified electrode has been studied by linear sweep and cyclic voltammetry, The reaction of BLM with DNA formed an electrochemically nonactive complex, which resulted in a decrease in the BLM equilibrium concentration and its reduction current. The decrease in peak current was proportional to DNA concentration and could be used to determination DNA concentration. The equilibrium constant of DNA‐BLM complex β was determined to be 5.16 × 1016. The experiments of AES and XPS showed that Co was surely implanted into the surface of GCE (glassy carbon electrode) and the depth distribution of Co was in good agreement with Gaussian normal distribution; the implanted Co at GCE improved the electrocatalytic activity.
Accurate Mass Determination of Amino Alcohols by Turboionspray/Time‐of‐Flight Mass Spectrometry
Authors: Geng Yu , Guo Yin‐Long , Zhao Shi‐Min , Ma Sheng‐Ming 
Published: September 2010

AbstractAmino alcohols were studied by turboionspray/time‐of‐flight mass spectrometry (TIS/TOF‐MS) with the aim of determining the accurate mass of their protonated molecule ions. Polyethylene glycol (PEG) was used as the internal reference. Compared with the theoretical values, all relative errors were less than 5 × 10−6. The effects of nozzle potential, nozzle temperature, acquisition rate etc. on accurate mass determination were also studied.
Boron (III) Tribromide or Titanium (IV) Bromide and Lewis Base Promoted Baylis‐Hillman Reaction
Authors: Shi Min , Cui Shi‐Cong 
Published: September 2010

AbstractIt was found that, when the Baylis‐Hillman reaction of arylaldehydes with methyl vinyl ketone was carried out at below ‐20 °C in the presence of boron (III) tribromide or titanium (IV) bromide using a catalytic amount of Lewis base such as amine, the brominated compounds and the Baylis‐Hillman adducts could be obtained as the major products in good yields for various aryl aldehydes. But at room temperature, the elimination products were the major products. In addition, the palladium catalyzed allylic substitution reactions of the elimination products were also examined.
Adsorption Performance and Mechanism in Binding of Azo Dye by Raw Bentonite
Authors: Eren Erdal 
Published: September 2010

AbstractThe adsorption behavior of methyl orange (MO) from aqueous solution onto raw bentonite (RB) sample was investigated as a function of parameters such as pH, inorganic anion, contact time, and temperature. The Langmuir and Freundlich adsorption models were applied to describe the equilibrium isotherms. Langmuir adsorption capacity was found to be 34.34 mg/g at pH 4.0. The pseudo‐first‐order, pseudo‐second‐order kinetic, and the intra‐particle diffusion models were used to describe the kinetic data. The values of the energy (Ea), enthalpy (ΔH≠), and entropy of activation (ΔS≠) were calculated as 38.62 kJ/mol, 36.04 kJ/mol, and −150.05 J/mol K, respectively, at pH 4.0.
Phase 2 trial of concurrent 5‐fluorouracil, hydroxyurea, cetuximab, and hyperfractionated intensity‐modulated radiation therapy for locally advanced head and neck cancer
Authors: Kao Johnny , Genden Eric M. , Gupta Vishal , Policarpio Edelweiss L. , Burri Ryan J. , Rivera Michael , Gurudutt Vivek , Som Peter M. , Teng Marita , Packer Stuart H. 
Published: September 2010

AbstractBACKGROUND:The objective of this phase 2 study was to evaluate the tolerability and efficacy of incorporating cetuximab and simultaneous integrated‐boost (SIB), intensity‐modulated radiation therapy (IMRT) into a well described 5‐fluorouracil (5‐FU) and hydroxyurea (HU)‐based chemoradiation regimen.METHOD:Patients with stage IVA and IVB or high‐risk stage III squamous cell carcinomas of the head and neck were enrolled on a phase 2 trial. Prior organ‐conserving surgery or induction chemotherapy was allowed off protocol. SIB‐IMRT was prescribed to low‐risk volumes (43.2 gray [Gy] to 48 Gy) and intermediate‐risk volumes (54‐63 Gy). A separate IMRT cone‐down plan was targeted to macroscopic disease (72 Gy). The median radiation dose was 72 Gy (range, 60‐72 Gy) administered in 1.5 Gy fractions twice daily during Weeks 1, 3, 5, 7 and 9. Concurrent systemic therapy consisted of 5‐FU (600 mg/m2), HU (500 mg twice daily), and cetuximab (250 mg/m2).RESULTS:From January 2007 through April 2008, 33 patients were enrolled. At a median follow‐up of 24 months, the 2‐year rates of locoregional control, distant control, disease‐free survival, and overall survival were 83%, 79%, 69%, and 86%, respectively. Grade 3 toxicity consisted of mucositis in 33% of patients, radiation dermatitis in 15%of patients, anemia in 18% of patients, leukopenia in 18% of patients, neutropenia in 12% of patients, and thrombocytopenia in 3% of patients. Most patients (64%) were able to tolerate treatment without a feeding tube, and there were no acute or late grade ≥4 adverse events.CONCLUSIONS:The current results indicated that concurrent 5‐FU, HU, and cetuximab plus SIB‐IMRT is a promising and reasonably well tolerated approach to incorporating molecularly targeted therapy into curative therapy for patients with locally advanced head and neck cancer. Cancer 2011. © 2010 American Cancer Society.
Gamma knife radiosurgery for brain metastasis of nonsmall cell lung cancer: Is there a difference in outcome between morning and afternoon treatment?
Authors: Rahn Douglas A. , Ray Dibyendu K. , Schlesinger David J. , Steiner Ladislau , Sheehan Jason P. , O'Quigley John M. , Rich Tyvin 
Published: September 2010

AbstractBACKGROUND:Circadian cell‐cycle progression causes fluctuating radiosensitivity in many tissues, which could affect clinical outcomes. The purpose of this study was to determine whether outcomes of single‐session gamma knife radiosurgery (GKRS) for metastatic nonsmall cell lung cancer (NSCLC) differ based on treatment time.METHODS:Fifty‐eight patients received GKRS between 10:00 am and 12:30 pm and 39 patients received GKRS between 12:30 pm and 3:00 pm. The mean peripheral dose was 18.6 Gy. The mean tumor size was 7.3 cm3. Magnetic resonance imaging was used to score local control at 3 months. Cause of death (COD) was categorized as central nervous system (CNS)‐related or systemic.RESULTS:Demographic and disease characteristics of the 2 groups were similar. Local control at 3 months was achieved in 97% (35/36) of patients who underwent GKRS early in the day versus 67% (8/12) of patients who underwent GKRS later in the day (chi‐square, P = .014). Early GKRS was associated with better survival (median 9.5 months) than late GKRS (median 5 months) (Kaplan‐Meier log‐rank test, P = .025). Factors contributing to better survival in a Cox regression model included early treatment time (P = .004) and recursive partition analysis class (P < .001). Cause of death in the early treatment group was CNS‐related in 6% (3/47) of patients versus 24% (8/34) of patients in the late treatment group (chi‐square test, P = .026).CONCLUSIONS:GKRS for metastatic NSCLC had better local control, better survival, and a lower rate of CNS‐related cause of death when given earlier in the day versus later in the day. These retrospective data should encourage future study in brain radiosurgery and non‐CNS stereotactic body radiotherapy series. Cancer 2011. © 2010 American Cancer Society.
Molecular Dynamics Simulation of the Adsorption of Oxalic Acid on an Ice Surface
Authors: Darvas Maria , Picaud Sylvain , Jedlovszky Pal 
Published: September 2010

AbstractThe adsorption properties of oxalic acid molecules on the surface of hexagonal ice are investigated by means of molecular dynamics simulations performed at tropospheric temperatures. Although the oxalic acid–water interaction is strong at low coverage, due to the possible formation of a large number of hydrogen bonds between the adsorbed oxalic acid and the surface water molecules, the results of the simulations at finite coverage show the predominant role played by the oxalic acid–oxalic acid lateral interactions in the adsorption/desorption process. These interactions are even stronger than the water–water or water–oxalic acid interactions. With increasing temperature these strong lateral interactions favor the formation of oxalic acid aggregates on the ice surface, with the concomitant departure of water molecules through the ducts in the adsorbed layer created by the aggregation process. These results support conclusions of experimental data on the oxalic acid–ice interactions. Moreover, in comparison to previously obtained results for formic and acetic acid adsorbed on ice, the present study suggests that not only the organic functionality is of importance for atmospheric implications of partially oxidized hydrocarbons (POH) interactions with ice, but also the balance between water–ice, water–POH, and POH–POH interactions.