bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis and biological activity of novel herbicides targeted ALS(XII)—Quantitative structure‐activity relationships of herbicidal 1,2,4‐triazolo[1,5‐a]pyrimidine‐2‐sulfonanilides
Authors: Guang‐Fu Yang , Hua‐Yin Liu , Xiu‐Feng Yang , Hua‐Zheng Yang 
Published: September 2010

AbstractThe herbicidal activities of a series of 1,2,4‐triacolo[l,5‐a]pyrimidine‐2‐sulfonanilides containing various substituents on the benzene ring were quantitatively analyzed with physicochemical parameters by using Hansch‐Fujita method. Variations in the activity were parabolically related to electronic parameters with the optimum pKa Value being about 6.93. The hydrophobic factor in addition to the electronic property seemed to have important effect on the activity.
Interaction and superconducting transition in alkali‐doped C60
Authors: Yan Ji‐Min , Zhu Chuan‐Bao 
Published: September 2010

AbstractThe intermolecular interactions in alkali‐doped C60 solids, A3‐x‐y A′xA″yC60 (A, A′, A″ = alkali; x + y ⩽ 3), have been calculated, and their correlations with the structures and the superconducting transition temperatures Tc have also been investigated. It is found that the variations of the lattice constants a0 of A3‐x‐ y A′x A″y C60 solids and the superconducting transition temperatures Tc can be satisfactorily explained from the viewpoint of interaction. It is shown that the relationship of Tc with interaction is much closer than that of Tc with lattice constant a0, Therefore, we can say it is the physical factors such as interaction, other than the geometrical structure factors such as a0, that should be reasonably taken as the primitive cause of the sudden change of superconductivity from pristine C60 to its alkali‐doped compounds and of the variation of Tc among superconductors of A3‐x‐yA′x A″ y C60
Synthesis and crystal structure of [Co(mpt)2{P(OCH3)3}2]BF4 (Hmpt = 2‐mercaptothiazoline)
Authors: Tong Ye‐Xiang , Kang Bei‐Sheng , Su Cheng‐Yong , Yu Xiao‐Lan , Chen Xiao‐Ming 
Published: September 2010

AbstractThe monomeric cobalt‐phosphite‐thiolato complex [ Co (mpt)2 {P (OCH3 )3 }2 ] BF4 (Hmpt = 2‐mercaptothiazoline) has been prepared and characterized by X‐ray crystallography. The complex crystallizes in the monoclinic space group C2/c with a = 0.8078(5), b = 2.6020(18), c= 1.2191(7) nm, β= 99.38 (1)°, V = 2.528(3) nm3, and Z = 4. The structure comprises discrete cations [Co (mpt)2(P(OCH3)3}2] + and anions BF4 −, in which the cobalt (III) atom is coordinated to two chelate mpt− and two cis‐oriented monodentate P(OCH3)3 ligands in a highly distorted octahedral geometry. The most distorted angles are S(2)‐Co(1)‐S(2a) of 162.23(10)° and N (l)‐Co(1)‐S(2) of 71.47 (13)°, the latter is caused by the geometric constraint of the bidentate ligand mpt−. Cyclic voltammetry has been used to study the electrochemical behavior of the title complex on the Pt electrode in MeCN solution with 0.1 mol · L−1 of Bu4n NBF4 89 electrolyte, The dts indicate that the title complex is unstable in MeCN.
Study on the second‐order non‐linear optical properties of 10‐hydrocarbylacridones
Authors: Song Hua‐Can , Zou Yong‐De 
Published: September 2010

AbstractTwenty 10‐hydrocarbylacridones and 2‐methylacridone, 1‐hydroxyacridone were synthesized from acridone and characterized by mp, IR, UV, 1H NMR and MS. Using Nd:YAG as a laser source, the second‐order harmonic generation (SHG) values of the acridone derivatives were measured in powder state as compared with urea powder. The results showed that the SHG values of some of 10‐hydrocarbylacridones were higher than that of urea, while others were lower. Although the hydrocarbyl substituents (R) attached to nitrogen atom of acridone were different in size and electronegativity, they had a little effect on the SHG values of 10‐hydrocarbylacridones. Substituents, such as methyl or hydroxy group connected to the phenyl ring, caused a little effect on the SHG values, too, compared with acrid one. The ability of R to push electron toward the nitrogen atom or to pull electron from the nitrogen atom play an important role on the maximum wavelengths of UV‐visible absorption of acridone derivatives.
Synthesis of substituted 1,2‐benzoquinones and substituted 3‐hydroxy‐4 (1H)‐pyridinones: Application of oxidation—Michael addition in organic synthesis
Authors: Li Miao‐Sheng , Ma Lin , Zhang Xiao‐Chun , Huang Zhi‐Shu , Xiao Shao‐Hua , Gu Lian‐Quan 
Published: September 2010

AbstractCatechol (1) and 2‐ethoxy‐2‐ethyl‐3‐hydroxy‐4(1H)‐pyridinone (4) derivatives can be oxidized to give ortho‐quinone of 1,2‐benzoquinone (2) and 2‐ethoxy‐2‐ethyl‐1,2(2H)‐pyridine 3,4‐dione (5) that subsequently dew Michael addition with nucleophiles. This reaction served a convenient route to synthesize 4,5‐disubstituted 1,2‐benzoquinones (3a‐c) and 6‐substituted‐3‐hydroxy‐4(1H)‐pyridinones (6a‐f).
Synthesis and magnetism of μ‐isophthalato dinuclear lanthanide(III) complexes
Authors: Xiang‐He Kong, , Cui‐Wei Yan, , Yan‐Tuan Li, , Dai‐Zheng Liao, 
Published: September 2010

AbstractSeven new μ‐isophthalato dinuclear lanthanide(III) complexes, namely [Ln2(IPHTA)(Me2‐phen)4‐(ClO4)2](ClO4)2 (Ln=La, Nd, Sm, Eu, Gd, Ho, Er), where Me2‐phen denotes 2,9‐dimethyl‐1,10‐phenanthroline (Me2‐phen), IPHTA represents isophthalate dianion, have been synthesized and characterized by elemental analyses, molar conductance measurements, IR, ESR and electronic spectra. The variable‐temperature magnetic susceptibilities of [ Gd2 (IPHTA) (Me2‐phen)4 ( ClO4 )2 ] ((ClO4 )2 complex were measured in the temperature range of 4–300 K and the observed data were successfully simulated by the equation based on the spin Hamiltonian operator, H = ‐2JS1. J2. giving the exchange parameter J = ‐0.19 cm−1. This result is commensurate with a weak antiferromagnetic spin‐exchange interaction between Gd(III)‐Gd(III) im within the complex.
Synthesis of nanosize europium oxide particles by using W/O microemulsion
Authors: Wen‐Hua Hou, , Jun Ma, , Jing Chen, , Qi‐Jie Yan, 
Published: September 2010

AbstractEuropium hydroxide particles with an average diameter of 10 nm and a BET surface area of 127 m2/g have been prepared by controlled precipitation in the polyoxyethylene octylphenol (Triton X‐100) (hexanol)/cyclohexane/water microemulsion system. After calcination in air at 750°C, the obtained europium hydroxide particles were readily converted to the nanosize Eu2O3 particles with an average size of 30 nm and a high BET surface area of 36.5 m2/g.
Novel method for synthesis of titanium silicalite‐1 (TS‐1)
Authors: Ji‐Cheng Zhou , Xiang‐Sheng Wang 
Published: September 2010

AbstractTitanium silicalite‐1 (TS‐1) was easily synthesized using inorganic silicon and titanium source, tetrapropylammonium bromide (TPABr) or TPAOH as templating molecule, NH3H2O, HDA or TEAOH etc. as base sources. In this system, TPA+ cations (come from TPABr or TPAOH) served as templating agents to direct the MFI structure. NH3H2O, TEAOH or HDA etc. provides the alkalinity necessary for crystallization. X‐ray diffraction, UV‐Vis, IR spectroscopies, SEM, 29Si MAS NMR showed that the zeolites obtained possessed all the structural characteristics of TS‐1, and titanium atoms were introduced into the framework in TS‐1. This material was proved to have high crystallinity and high catalytic activity to allyl chloride epoxidation and propylene epoxidation. All the samples synthesized had similar catalytic properties with a standard TS‐1 through compared inorganic reactant system with organic synthesis system using propylene epoxidation. The effects of silicon source and TPABr/SiO2 ratio were discussed.
Stereoselective synthesis of 2′‐ purine and pyrimidine derivatives of 1′, 4′‐anhydro‐2′‐deoxy D‐arabitol and D‐altritol
Authors: Bing‐Hui Yang , Xue‐Jun Wu 
Published: September 2010

AbstractA series of 2′‐purine and pyrimidine derivatives of 1′ 4′‐anhydro‐2′‐deoxy‐D‐arabitol (1) and l',4′‐anhydro‐2′‐deoxy‐D‐altritol (2) were synthesized regio‐ and stereo‐selectively from D‐sorbitol through same conversion in high yields.
Inclusion property and Diels‐Alder reaction of bis (diphenylphosphine oxide) butadiyne
Authors: Ming‐Xia Li , Jin‐Liang Li , Yong‐Mei Wang , Ji‐Ben Meng 
Published: September 2010

AbstractThe host molecule, bis (diphenylphosphine oxide) butadiyne (2), includes a variety of guests to form five complexes (2a—2e). In addition, the Diels‐Alder reaction between 2 and anthracene gives 9, 9′, 10, 10′‐tetrahedron‐9, 9′, 10, 10′‐bi‐ethenoantracene‐11, 11′‐bis (diphenylphosphine oxide) (3) which is a potential di‐π‐methane reactant and can undergo photorearrangement.
A molecularly imprinted polymer receptor for the enantiomeric recognition of amino acid hydantoins mimicking cooperative hydrogen bonds between nucleotide bases
Authors: Jie Zhou , Xi‐Wen He , Hong‐Sheng Guo 
Published: September 2010

AbstractUsing acrylamide as hydrogen bonding functional monomer and (5R)‐5‐benzylhydantoin as template, a molecularly imprinted polymer was prepared in a polar solvent, which exhibited good enantiomeric recognition properties. The binding characteristics and selectivity of the polymer were evaluated by batch methods. Scatchard analysis showed that two classes of binding sites were produced in the polymer matrix and their dissociation constants were calculated to be 3.5 × 10−5mol/L and 4.3 × 10−4 mol/L, respectively, by utilizing the model of multiple independent classes of binding sites. These results were more reasonable than those obtained by Scatchard analysis, which was in agreement with the prediction of the binding characteristics of the polymer by exploring the effect of acrylamide on UV spectra of (5R)‐5‐benzylhydantoin. The substrate and enantio‐selectivity of the polymer was investigated. Finally, the study of effect of water on the chiral separation factor of the polymer further proved that the hydrogen bonding interactions played an important role in the recognition of the acrylamide‐based molecularly imprinted polymers.
Quantitative prediction of substituted products based on quantum‐chemical parameters and neural network method
Authors: Xue‐Ye Wang , Huang Song 
Published: September 2010

AbstractThe criterion of orientating group of electrophilic aromatic nitration was discussed by means of pattern recognition method with quantum‐chemical parameters as features, and the product ratios of the reactions were quantitatively calculated using artificial neural network (ANN) method with the same parameters as inputs, based on the ab initio calculation of quantum chemistry, The quantum‐chemical parameters involved orbital energy, orbital electron population, atomic total electron density and atomic net charge. The predicted values are in agreement with experimental results and the predicted error of the ANN with quantum‐chemical parameters for the reaction is the smallest among the all methods.
A novel pentaazadentate bismacrocycle cadmium complex
Authors: Feng‐Qi Guo , Shi‐Ming Dong , Duo‐Yuan Wang 
Published: September 2010

AbstractA novel pentaazadentate bismacrocycle was synthesized through an improved procedure of 1:1 Schiff base condensation of diformyltripyrrane with 3,4,3′,4′‐tetraamino‐biphenyl hydrochloride using Pb2+ as template ion, in which the condensed byproduct water was removed efficiently to make the yield over 90%. Then the bismacrocycle legend reacted with cadmium chloride to yield the title metal complex with molecular weight being 1200.4 by TOF MS and the λmax being 766 nm.
Synthesis and crystal structure of ethyl benzimidazole‐2‐yl phosphonate
Authors: Hu Fang‐Zhong , Zou Xiao‐Mao , Yang Hua‐Zheng , Weng Lin‐Hong 
Published: September 2010

AbstractWhen N‐cyanoimido‐(O,O‐diethyl)phosphonyl/S‐methyl thiocarbonate (1) was treated with o‐phenylenediamine in the presence of Et3N in ethanol, diethyl benzimidazole‐2‐yl phosphonate (2) was obtained and hydrolyzed during the recrystallization in MeOH/H2O, generating ethyl benzimidazole‐2‐yl phosphonate (3). The crystal structure of compound 3 was determined by X‐ray diffraction method. The crystals belong to monoclinic, space group C2/c, a = 1.78406(18), b = 0. 83725(9), c= 1.67401(18) nm, β= 118.997(2)°, V = 2. 1870(4) nm3 Z = 8, Dc = 1.374 g/cm3, F(000) = 944. The final R and wR are 0.0499 and 0.1436, respectively. The mechanism of the above reaction is also discussed.
Synthesis and Biological Activity of 3‐Methyl‐1H‐pyrazole‐4‐carboxylic Ester Derivatives
Authors: Zhao Wei‐Guang , Li Zheng‐Ming , Yuan Ping‐Wei , Wang Wen‐Yan 
Published: September 2010

AbstractIn search of novel pyrazole derivatives with bioactivity, a series of 3‐methyl‐1H‐pyrazole‐4‐caboxylic: ester derivatives were synthesized via α‐oxoketene dithioacetals as starting material. The structures of all compounds prepared were confirmed by lH NMR, IR, MS and elemental analyses. Preliminary bioassays indicated that some compounds showed fungicidal activity against wheat rust, phoma asparagi and antiviral activity against TMV.
Microcalorimetric Studies on Thermochemical Characteristics of Escherichia coli NCTC 10418 Aerobic Growth Metabolism in Basic Media
Authors: Liu Yi , Gao Zhen‐Ting , Wang Hong , Qu Song‐Sheng 
Published: September 2010

AbstractBy using an LKB‐2277 bioactivity monitor, cycle‐flow mode, the thermogenic curve of metabolism of Escherichia coü NCTC 10418 growth at 37°C in basic media was determined. The experimental results indicate that the relationship between cell concentration and power output can be characterized by the equations C = k'P + adC/dP0 = KC, n = 1 where P is the power output (μW), C is cell concentration (mg/mL), P0 is the power output produced by the metabolism of one unit of cell (P0 = P/0.6C), the order of metabolism n is 1, and k', a and K are constants which depend on the culture condition and phylogenic state of the cells. These equations are different from those of the non‐growth metabolism of resting cells and endogenous metabolism of cells. For different kinds of metabolism of cells, the order of metabolism, n, is different. For endogenous metabolism, n = 0, for growth metabolism, n = 1, and for non‐growth metabolism of resting cells, n = 2. The equations are general thermochemical equations for the various different kinds of metabolism of cells.
Facile Preparation of Chiral 1, 3‐Diols via Stereoselective Transfer Hydrogenation of 1, 3‐Diones
Authors: Chen Ying‐Chun , Deng Jin‐Gen , Wu Tong‐Fei , Cui Xta , Jiang Yao‐Zhong , Choi Michael C. K. , Chan Albert S. C. 
Published: September 2010

AbstractAsymmetric reduction of 1, 3‐diones catalyzed by (S, S)‐TsD‐PEN‐Ru(II) complex in a mixture of formic add‐triethylamine proceeded with a substrate/catalyst molar ratio of 100 to give (S, S)‐l,3‐diols with excellent diastereomeric (98.6% de) and enantiomeric purities ( > 99% ee). Other C2‐symmetric diols were also obtained in almost quantitative yields with high diastereomeric (80.0%‐84.2% de) and enantiomeric purities ( > 99% ee).
A Simple Way for Synthesis of Alkyne‐Telechelic Poly(methyl methacrylate) via Single Electron Transfer Radical Coupling Reaction
Authors: Zhang Zhongning , Fu Qiang , Huang Junlian 
Published: September 2010

AbstractThe telechelic α,ω‐alkyne‐poly(methyl methacrylate) (alkyne‐PMMA‐alkyne) was synthesized by single electron transfer radical coupling (SETRC) reaction of α‐alkyne, ω‐bromine‐poly(methyl methacrylate) (alkyne‐ PMMA‐Br). The propargyl 2‐bomoisobutyrate (PgBiB) was first prepared to initiate atom transfer radical polymerization (ATRP) of methyl methacrylate at 45°C using CuCl/1,1,4,7,10,10‐hexamethyl triethylenetetramine (HMTETA) as homogeneous catalytic system. Then the SETRC reaction was conducted at room temperature in the presence of nascent Cu(0) and N,N,N′,N′ ′,N′ ′‐pentamethyldiethyllenetriamine (PMDETA). The precursor alkyne‐PMMA‐Br and coupled product alkyne‐PMMA‐alkyne were characterized by GPC and 1H NMR in detail.
Electrochemiluminescence Studies of Phosphorescent Dopant and Host Molecules of Polymer Light‐emitting Diodes
Authors: Wang Dongdong , Wu Chaoxin , Hou Xun 
Published: September 2010

AbstractElectrochemiluminescence (ECL) from tris(2‐phenylpyridine)irdium [Ir(ppy)3] was investigated following cross reaction of its anion with oxidized poly(N‐vinyl‐carbazole) (PVK) and its cation with reduced 2‐(4‐biphenylyl)‐5‐(4‐tert‐butyl‐phenyl)‐1,3,4‐oxadiazole (PBD). Both cross reactions show Ir(ppy)3 emission and the cross reaction of PVK+·/Ir(ppy)−3 showed the highest ECL intensity. The comparisons of the reaction enthalpy and the energy of Ir(ppy)3 light emitting shows that reaction between PVK+· and Ir(ppy)−3 is energy sufficient to populate metal‐to‐ligand charge transfer (MLCT) excited singlet (3.04 eV) of Ir(ppy)3, while the reaction between Ir(ppy)+3 and PBD− · is energy efficient to populate MLCT excited triplet (2.4 eV). The ECL result in solution reveals that the energy released from charge transfer between the Ir(ppy)3 and PVK or PBD is sufficient to produce the excited state of Ir(ppy)3 in solid polymer light‐emitting diodes (PLEDs) based on PVK:PBD hosts doped by Ir(ppy)3. These results obtained will provide further insight into charge‐transfer excitation in PLEDs.
A Practical Approach to Synthesize the C(9) –C(24) Fragment of (+)‐Discodermolide
Authors: Yin Zengsheng , Yue Xuyi , Deng Xiangjun , Qing Fengling 
Published: September 2010

AbstractA practical and stereoselective synthesis of the C(9)–C(24) subunit of (+)‐discodermolide has been achieved. The strategy featured the construction of the key intermediate Z‐trisubstituted vinyl iodide 12 from the dibromo‐olefin 6 via an efficient modified Tanino‐Miyashita's approach. The union of the two fragments was carried out through a Suzuki cross‐coupling reaction.
Novel Conformational Transitions of Human Cytochrome P450 2C8 during Thermal and Acid‐induced Unfolding
Authors: Sun Lu , Wang Zhonghua , Jiang Hualin , Tan Xiangshi , Huang Zhongxian 
Published: September 2010

AbstractTransitions among various heme coordination/spin states, heme environments and protein conformations of human cytochrome P450 2C8 were investigated under different denaturing conditions by means of electronic absorption and circular dichroism spectroscopies. It is the first report of it's kind. Our results indicated that the thermal and acid‐induced denaturation could convert P450 2C8 to various P420 forms. In the thermal unfolding process, the ferric P420 thermal form emerged with weakened Fe‐S (thiolate) bond. An absorption band atca. 425 nm of the ferrous P420 2C8 thermal form was observed, suggesting that the axial Cys435 was protonated or displaced by other ligand. Moreover, the new coordination bond was stabilized when the temperature was cooled down. When binding with CO, the ferrous P420 2C8 thermal form had the protonated thiol of Cys435 as the axial ligand. X‐ray structure of P450 2C8 suggested that the specific structure of theβ‐bulge where the axial cysteine ligand located might be the reason of the formation of these P420 2C8 thermal forms. In the acid‐induced unfolding studies, we found that at pH 3.0 the heme could be irreversibly released from the heme pocket of ferric and ferrous P450 2C8. Interestingly, the released heme could form a new coordination bond with an unidentified ligand at the surface of partially unfolded protein when binding with CO at reduced state.
The p66shc Gene Expression in Peripheral Blood Monocytes Is Increased in Patients With Coronary Artery Disease
Authors: Noda Yoshihiro , Yamagishi Sho‐ichi , Matsui Takanori , Ueda So , Ueda Shin‐ichiro , Jinnouchi Yuko , Hirai Yuji , Imaizumi Tsutomu 
Published: September 2010

AbstractBackgroundThe p66shc protein has been shown to control cellular responses to oxidative stress, being involved in atherosclerosis in animal models. However, the relationship between the p66shc gene expression levels and coronary artery disease (CAD) in humans remains unknown. In this study, we examined whether the p66shc gene expression in peripheral blood monocytes (PBMs) was increased in patients with CAD, compared with age‐ and sex‐matched subjects without CAD.HypothesisWe hypothesize that the p66shc gene expression level in PBMs is increased in patients with CAD.MethodsForty consecutive Japanese subjects who underwent coronary angiography for suspected CAD were enrolled in this study. The p66shc gene expression levels in PBMs were quantitatively measured by real‐time reverse transcription‐polymerase chain reactions. Uni‐ and multivariate analyses were applied for the correlates of CAD. CAD was diagnosed if there was > 75% obstruction of at least 1 major coronary artery or a history of percutaneous coronary intervention.ResultsThere were no significant differences of blood chemistries and clinical characteristics between the patients with and without CAD, except the number of subjects who were on hypertension medication. The p66shc gene expression levels in PBMs were significantly higher in CAD patients compared with non‐CAD subjects. Multiple stepwise regression analysis revealed that the p66shc gene expression levels and hypertension medication were independently related to CAD (R2=0.287). Further, the p66shc gene expres‐ sion levels were significantly increased (P < 0.05) in proportion to the number of diseased vessels.ConclusionsThe present study is the first demonstration that increased the p66shc gene expression in PBMs is independently associated with CAD in Japanese subjects. The p66shc gene expression level in PBMs may be a novel biomarker of CAD in humans. Copyright © 2010 Wiley Periodicals, Inc.This work was supported in part by Grants of Collaboration with Venture Companies Project from the Ministry of Education, Culture, Sports, Science and Technology, Japan (S. Yamagishi). The authors have no other funding, financial relationships, or conflicts of interest to disclose.
The Effect of Aldosterone Antagonists for Ventricular Arrhythmia: A Meta‐Analysis
Authors: Wei Jiafu , Ni Juan , Huang Dejia , Chen Mao , Yan Shaodi , Peng Yong 
Published: September 2010

AbstractBackgroundSudden cardiac death (SCD) from cardiac arrest, one of the most common types of cardiac‐related death, is most often triggered by ventricular arrhythmia (VA). It has been reported that aldosterone antagonists (AAs) have the benefit of reducing SCD in patients with heart failure (HF). It also has been indicated in animal experiments and clinical trials that AAs may have an antiarrhythmic effect.HypothesisAAs have an effect on VA in patients with HF or coronary artery disease.MethodsWe searched the Cochrane Central Register of Controlled Trials, PubMed, Current Controlled Trials, and the National Research Register, and identified randomized controlled trials on the effect of AAs on VA.ResultsAll together, 7 trials with a total of 8635 patients were identified and extracted. AAs reduced the risk of SCD in patients with HF by 21% (relative risk [RR]: 0.79, 95% confidence interval [CI]: 0.67–0.93). AAs significantly reduced the episodes of ventricular premature complexes (mean difference 705 ± 646 episodes per 24 hours). Risk of ventricular tachycardia was reduced by 72% (RR: 0.28, 95% CI: 0.10–0.77).ConclusionsThe additional administration of AAs in patients with HF or coronary artery disease shows a benefit in reducing the risk of SCD and may also be effective for reducing episodes of ventricular premature complexes and ventricular tachycardia. Copyright © 2010 Wiley Periodicals, Inc.The work was supported by grants from the Chinese National Nature Science Foundation (grant numbers 30600607 and 30770877, Beijing, China), and the National High‐tech Research and Development Program of China (2006AA02A406, Beijing, China).