bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of a novel macrocyclic ligand containing bipyridine units
Authors: Yong‐Bing He , Jean‐Marie Lehn
Published: September 2010

The 6‐hydroxymethyl‐6′‐tetrahydropyranyloxymethyl‐2,2′‐bipyridine (2) was synthesized by the reaction of 6,6‐dihydroxymethyl‐2,2′‐bipyridine (1) with 3,4‐dihydropyran (DHP). 6‐Tetrahydropyranyloxymethyl‐6′‐iodomethyl‐2, 2′‐bipyridine (5) was obtained from mesylate and iodizating reaction of compound 2. The coupling of 2 and 5 followed by hydrolysis gave bis (6′‐hydroxymethyl‐2,2′‐bipyridine‐6‐methyl) ether (7). The macrocyclic ligand 8 was obtained by treating 7 and 6,6′‐dibromomethyl‐2,2′‐bipyridine. The synthetic conditions of the intermediate 2 and macrocyclic ligand 8 were discussed.
Synthesis of novel poly(aryl ether amide)s containing the phthalazinone moiety
Authors: Lin Cheng , X‐Gao Jian
Published: September 2010

Two novel heterocylic diamine monomers: l,2‐dihydro‐2‐(4‐aminophenyl)‐4‐4‐(4‐aminophenoxy) phenyl]‐(2H)‐phthalazin‐l‐one and 1,2‐Dihydro‐2‐( 4‐aminophenyl )‐4‐[4‐(4‐aminophenoxy‐3, 5‐dimethylphenyl]‐(2H)‐phthalazin‐1‐one were successfully synthesized using readily available heterocyclic bisphenol‐like monomers through two steps in high yield. A series of novel poly(aryl ether amide)s containing the phthalazinone moiety with inherent viscosities of 1.16–1.67 dL/g were prepared by the direct polymerization of the novel diamines and aromatic dicarboxylic acids using triphenyl phosphite and pyridine as condensing agents. The polymers were readily soluble in a variety of solvents such as N,N ‐dimethylformamide (DMF), N,N‐dimethylacetamide (DMAc), dimethylsulfoxide ( DMSO ), N‐methyl‐2‐pyrrolidinone (NMP), and pyridine. The polymers had high glass transition temperatures ( Tg) in the 291–329°C range.
Polymerization of methyl methacrylate by diphenylamido bis (methylcyclopentadienyl) ytterbium complex
Authors: Yao‐Rong Wang , Qi Shen , Jia‐Le Ma , Qun Zhao
Published: September 2010

Methyl methacrylate (MMA) was effectively polymerized by diphenylamido bis(methylcyclopentadienyl) ytterbium complex (MeCp)2 YbNPh2 (THF). The reaction can be carried out over a range of polymerization temperature from ‐ 40°C to 40°C and gives me polyMMA with high molecular weights. The initiation mechanism was demonstrated by diphenylamido‐terminated methyl methacrylate oligomer.
Syntheses and properties of new herbicidal 2‐arylthio‐l,2,4‐triazolo [l,5‐a]pyrimidine derivatives
Authors: Guang‐Fu Yang , Rong‐Jian Lu , Xue‐Ning Fei , Hua‐Zheng Yang
Published: September 2010

In search of novel herbicides with high activity, a series of 2‐arylthio‐1,4,2,‐triazolo[1,5‐a]pyrimidines (3) were synthesized by cyclization of 5‐amino‐3‐arylthio‐1,2,4‐triazoles with 1, 3‐diketones or by the nucleophilic substitution of substituted thiophenols with 2‐methylsulfonyl‐l,2,4‐triazolo [1,5‐a]‐pyrimidine. The structures of all compounds prepared were confirmed by 1H NMR and MS spectroscopy along with elemental analyses. Preliminary bioassays indicated that some of the compounds 3 had good herbicidal activity against rape. In addition, the regioselectivity in the reaction of 5‐amino‐3‐substituted arylthio‐l,2,4‐triazoles with benzoylacetone was studied.
Highly efficient synthesis of peptides by rational utilization of novel coupling reagents
Authors: Peng Li , Jie‐Cheng Xu
Published: September 2010

The efficiency of different peptide coupling reagents, including carbodiimides, HOBt or HOAt‐derived uronium, phosphonium and immonium salts, halouronium, halophosphonium, 2‐halopyridinium and 2‐halothiazolium salts, was evaluated. The synthetic strategy for coded peptides and nonribosomal peptides was discussed with an emphasis on the rational selection of peptide coupling reagents.
Influence of preparation conditions on properties of chemical modified nylon affinity membrane (used for γ‐globulin adsorption)
Authors: Hong‐Yu Gan , Zhen‐Hua Shang , Jun‐De Wang , Xue‐Liang Liu
Published: September 2010

Microporous polyamide membrane (Nylon 6, PA) was modified by add hydrolysis and then coupled with hydroxyethyl cellulose (HEC) to amplify reactive groups and reduce nonspecific interaction with proteins. 1,6‐Diaminohexane (DAH) as space arm and phenylalanine (Phe) as ligand were immobilized onto nylon membrane through the activation of s‐triazine trichloride (CyCl3). The affinity membrane obtained can be used to adsorb γ‐globulin specifically. The optimum conditions of preparing affinity membrane and adsorbing bovine γ‐globulin were studied.
Synthesis and properties of the complexes of lanthanides with nitronyl nitroxide biradical
Authors: Qi‐Hua Zhao , Li‐Cun Li , Dai‐Zheng Liao , Zong‐Hui Jiang , Shi‐Ping Yan , Rui‐Bin Fang
Published: September 2010

Five novel complexes of formula [Ln(hfac)3] · BNPhOM, where La = Gd, Ho, Dy, Y, Er; Mac = hexfluoracetylacetonate; BNPhOM=1,3‐[bis‐2,2′,‐(4,4,5,5‐tetramethyl‐4,5‐di‐hydro‐1H‐imidazolyl‐1‐oxyl‐3‐oxide) phenoxy] propane, have been prepared and characterized by elemental analysis, molar conductances, IR and electronic spectra. The temperature dependence of the magnetic susceptibility for Gd(III) and radical was measured (2—‐300 K). The observed data were successfully simulated giving the exchange integral J = 0.28 cm−1, J' = ‐ 0.33 cm−1. These results indicate a weak ferromagnetic spin exchange interaction between Gd(III) ion and the radical and a weak antiferromagnetic spin exchange interaction between the radical and radical.
Synthesis and characterization of novel chiral diporphyrins and their dimetal complexes
Authors: Zao‐Ying Li , Jiang‐Lin Liang , Cong Li
Published: September 2010

Reaction of chiral 2,2′‐biamino‐1, 1′‐binaphthalene (RorS) with monosubstituted porphyrin 1b and 2b—c afforded novel chiral diporphyrins 3a—c and 4a–c. Their dimetal complexes [(M)2DiPor] have also been prepared. Both structures have been identified by MS, IR, UV‐visible,1H NMR spectra and elemental analysis. These novel chiral compounds show very high optical activities.
Precursor route synthesis and thermal contraction of compounds ZrW2‐xMoxO8 (x=0, 0.4, 0.6, 0.8, 1.2, 1.6)
Authors: Shan‐Ying Zhang , Xin‐Hua Zhao , Hui Ma , Xin‐You Wu
Published: September 2010

A series of title compounds as well as their precursors were synthesized by precursor route. Their PXRD patterns were characterized with ZrW2O8 or ZrMo2O8 model by Rietveld method. The thermal contractions of the compounds wore determined according to the variable‐temperature PXRD data and NTE coefficients were presented. The two‐phase mixture of ZrW0.4Mo1.6O8 was also analyzed individually.
Synthesis of some heteroaryl pyrazole derivatives and their biological activities
Authors: Han‐Song Chen , Zheng‐Ming Li
Published: September 2010

In order to search for novel fungicides with high activity, a series of heteroaryl pyrazoles were synthesized from 5‐pyrazole formhydrazide. The structures of all new compounds were confirmed by spectroscopic methods and microanalyses. Preliminary bioassays indicated that some compounds showed fungicidal activity againstPuccinia tritiniaand PGR activity as well.
Novel polymer system for molecular imprinting polymer against amino acid derivatives
Authors: Jin‐Fang Wang , Liang‐Mo Zhou , Xue‐Liang Liu , Qing‐Hai Wang , Dao‐Qian Zhu
Published: September 2010

Molecular imprinting polymers (MIPs) against N‐Cbz‐L‐Tyr were prepared utilizing different polymer systems and evaluated in HPLC mode. It was found that MIP utilizing cocktail functional monomers, acrylamide + 2‐vinylpyridine showed better molecular recognition and better separation ability for the template molecule than those utilizing other functional monomers. MIP utilizing trimethylolpropane trimethacrylate as cross‐linker showed higher load capacity and separation factor than those utilizing ethylene glycol dimethacrylate as cross‐linker. Increasing the concentration of competing solvent, acetic acid weakened me ionic interaction and hydrogen bonding between the analyte and the functional monomers, 2‐vinylpyridine and acrylamide, when me template enantiomer was separated by HPLC. Therefore increasing of the concentration of acetic acid leads to decreasing of capacity factor, separation factor and resolution.
Synthesis, structures and magnetic properties of a series of polynuclear copper(II)‐lanthanide( III) complexes assembled with carboxylate and hydroxide ligands
Authors: Chen Xiao‐Ming , Yang Yang‐Yi
Published: September 2010

Heterometallic copper(II)‐lanthanide(III) complexes have been made with a variety of exclusively O‐donor ligands including betaines (zwitterionic carboxylates) and chloroacetate, which are dinuclear CuLn, tetranuclear Cu2Ln2, pentanuclear Cu3Ln2, and octadecanuclear Cu12 complexes. The results show that subtle changes in both the carboxylates and acidity of the reaction solution can cause drastic changes in the structures of the products. Magnetic studies exhibit that shielding of the Ln3+ 4f electrons by the outer shell electrons is very effective to preclude significant coupling interaction between the Ln3+ 4f electrons and Cu2+ 3d electrons in either a mono‐atomic hydroxide‐bridged, or a carboxylate‐bridged system.
A new approach of CeO2and La2O3effects on the three‐way catalysts containing low precious metals
Authors: Wang Wen‐Dong , Lin Pei‐Yan , Fu Yi‐La , Yu Shou‐Ming , Meng Ming , Zhang Xiao‐Peng
Published: September 2010

A series of three‐way catalysts (TWCs), containing a small amount of precious metals (PMs, including Pt, Pd and Rh) and a large amount of promoters CeO2and La2O3, were prepared with different precursor compounds and various doped manners. Crystal phases, dispersion of cerium and lanthanum, textural structure and thermal stability of the catalysts were investigated by XRD, XPS and pore parameters determination. The catalytic performance was studied by the measurements of CO, C3H6and NO conversions on dependence of temperature at stoichimetric number point (S =1.00), and fromS= 0.75 to 1.30 at 280°C or 340°C for fresh or aged samples, respectively. The correlation between the catalytic performance and the characteristics of fresh and aged samples were discussed. The results show mat the sample, in which CeO2and La2O3are doped with mixed oxide powders, possesses poor dispersion and less thermal stability, and the conversions of NO and C3H6are apparently lower man those of the samples aged at 850°C The main reason is due to the lanthanum enrichment on the surface. The precious metals and cerium may be covered and enveloped, and the PMs located on the internal microporous surface where no cerium and lanthanum exist, are easier to sinter and oxidize. For the sample doped with La(NO3)3and Ce(NO3)3aqueous solutions, high dispersion and thermal stable CeO2‐La2O3solid solution on all the surface of microporous γ‐Al2O3is identified. The solid solution CeO2La2O3also possessed high dispersion in Ok sample doped with La2O3powder and Ce(NO3)3aqueous solution. The last two aged samples keep higher NO conversion atS≥1 region.
A study on organized assemblies in the sodium alkylcarboxylate/ fatty alcohol/water systems
Authors: Mao Min , Huang Jian‐Bin , Shi Hong‐Tao , He Xu , Zhu Bu‐Yao , Fu Hong‐Lan
Published: September 2010

The phase behavior and evolution of self‐organized assembling structures in the sodium alkylcarboxylate/fatty alcohol systems were investigated by TEM. With increasing concentration of fatty alcohol, the micells transform into lamellar La phase, sponge L3 phase, multilamellar vesicle, and transform back to lamellar La phase. At higher alcohol concentration, a stable two aqueous phase coexisting region has been observed in this kind of systems after aged two months. Unilamellar vesicles were found both in two separated phases but the vesicle density of the upper phase is much higher than that of me bottom phase.
Synthesis of mesoporous silica materials with ascorbic acid as template via sol‐gel process
Authors: Pang Jie‐Bin , Qiu Knn‐Yuan , Wee Yen
Published: September 2010

Mesoporous silica materials with pore diameters of 2–5 nm have been prepared using ascorbic add as a nonsurfactant template or pore‐forming agent in HCl‐catalyzed sol‐gel reactions of tetraethylorthosilicate, followed by removing the ascorbic acid compound by extraction with ethanol. Characterization results from nitrogen sorption isotherm, powder X‐ray diffraction and transmission electron microscopy indicate that me materials have large specific surface areas (e.g. 1000 m2/g) and pore volumes (e.g. 0.8 cm3/g). The mesoporosity is arisen from interconnecting disordered wormlike channels and pores with relatively broad size distributions. As the ascorbic acid concentration is increased, the pore diameters and pore volumes of the materials increase.
Anodic and cathodic process of hypophosphite on a Ni‐Ag electrode
Authors: Zeng Yue , Yu Shang‐Ci , Li Ze‐Lin , Zhou Shao‐Min
Published: September 2010

The reduction and the oxidation of hypophosphite on a Ni‐Ag electrode have been studied to provide the information about the phosphorus incorporation mechanisms during the electro‐less deposition and the electrodeposition of Ni‐P alloys. In the electrooxidation process, an absorbency band around 240 nm, which was ascribed to tbe formation of an intermediate PHO2, was observed by in situ UV‐Vis subtractive reflectance spectroscopy. Accordingly, the electrooxidation of hypophosphite might undergo an H abstraction of hypophosphite from the PH bond to form the phosphorus‐centred radical PHO2, which was subsequently electrooxidized to the final product, phosphite. In the reduction process Ni‐phosphine compound N‐(PH3), was observed byin situ surface Raman spectroscopy. The results from the Raman experiments show that, in the NiSO4‐free solution, hypophosphite was reduced only to Ni‐phosphine compound, while in the case where NiSO4 coexisted in tbe solutions, the Ni‐phosphine compound, as an intermediate, was oxidised by Ni2+ to elemental phosphorus in alloys with nickel acting as the catalyst.
Synthesis reactivity and electrochemical properties of substituted cyclopentadienyl cobalt (III) complexes
Authors: Hou Xiu‐Feng , Pan Zhen , Xu You‐Feng , Cai Rui‐Fang , Huang Zu‐En
Published: September 2010

Cyclopentadienyl cobalt complexes (η5‐C5H4R) CoLI2 [L = CO,R=‐COOCH2CH=CH2 (3); L=PPh3, R=‐COOCH2‐CH=CH2 (6); L=P(p‐C6H4O3)3, R = ‐COOC(CH3) = CH2 (7), ‐COOCH2C6H5 (8), ‐COOCH2CH = CH2 (9)] were prepared and characterized by elemental analyses, 1H NMR, ER and UV‐vis spectra. The reaction of complexes (η5‐C5H4R)CoLI2 [L= CO, R= ‐COOC(CH3) = CH2 (1), ‐COOCH2C6H5(2); L=PPh3, R=‐COOC (CH3) = CH2 (4), ‐COOCH2C6H5 (5)] with Na‐Hg resulted in the formation of their corresponding substituted cobaltocene (η5‐C5H4R)2 Co[R=‐COOC(CH3) = CH2 (10), ‐COOCH2C6H5 (11)]. The electrochemical properties of these complexes 1–11 were studied by cyclic voltammetry. It was found that as the ligand (L) of the cobalt (III) complexes changing from CO to PPh3 and P(p‐tolyl)3, their oxidation potentials increased gradually. The cyclic voltammetry of α,α′‐substituted cobaltocene showed reversible oxidation of one electron process.
Syntheses and molecular self‐assembly of chiral phosphoramidates
Authors: Du Da‐Ming , Hua Wen‐Ting , Wang Jian‐Wu , Jin Xiang‐Lin
Published: September 2010

Two chiral phosporamidates, (R)‐(–)‐1, 1′‐binaphthyl‐2, 2′dihydroxy‐N‐ [α‐(S)‐methylbenzyl] phosphoramidate and (–)‐1,1′‐biphenyl‐2,2′‐dihydroxy‐N‐[α‐(S)‐methylbenzyl]‐phosphoramidate were synthesized. Their crystal structures were determined by X‐ray single crystal diffraction analysis. The phosphoramidate molecules are self‐associated by intermolecular NH ···O = P hydrogen bonds and aromatic edge to face interactions.
Low‐valent titanium induced reductive cyclization of nitro compounds and aliphatic ketones: facile synthesis of 3, 4‐dihydro(2H)‐1, 2, 4‐benzothiadiazine‐1, 1‐dioxides
Authors: Zhong Wei‐Hui , Chen Xiao‐Yuan , Zhang Yong‐Min
Published: September 2010

The intermolecular reductive cyclization of o‐nitrobenzene‐sulfonamides with aliphatic ketones induced by TiCl4/Sm system was studied and a series of 3, 3‐disubstituted‐3,4‐dihydro(2H)‐1,2, 4‐benzothiadiazine‐1,1‐dioxides were synthesized in moderate to high yields under mild and neutral conditions.
Ab initio and density functional theory studies of the structure, gas‐phase acidity and aromaticity of tetraselenosquaric acid
Authors: Zhou Li‐Xin
Published: September 2010

Results of ab initio self‐consistent‐field (SCF) and density functional theory (DFT) calculations of the gas‐phase structure, acidity (free energy of deprotonation, ΔG*) and aromaticity of tetraselenosquaric acid (3, 4‐diselenyl‐3‐cyclobutene‐1,2‐diselenone, H2 C4 Se4)are reported. The global minimum found on the potential energy surface of tetraselenosquaric acid presents a planar conformation. The ZZ isomer was found to have the lowest energy among the three planar conformers and the ZZ and ZE isomers are very dose in energy. The optimized geometric parameters exhibit a bond length equalization relative to reference compounds, cyclobutanediselenone, and cyclobutanediselenol. The computed aromatic stabilization energy (ASE) by homodesmotic reaction is ‐77.4 (MP2(fu)/6–311+G** /RHF/6 ‐ 311 + G** ) and ‐ 54.8 kJ/mol (B3LYP/6 ‐ 311 + G** //B3LYP/6 ‐311 + G**). The aromaticity of tetraselenosquaric acid is indicated by the calculated diamagnetic susceptibility exaltation (A) ‐19.13 (CSGT(IGAIM)‐RHF/6–311 + G**// RHF/6–311 + G** and ‐32.91 (4π·10−6 m−3/mol)(CSGT(I‐GAIM)‐B3LYP/6 ‐ 311 + G* * //B3LYP/6 ‐ 311 + G**). Thus, tetraselenosquaric acid fulfils the geometric, energetic and magnetic criteria of aromaticity. The calculated gas‐phase acidity is ΔG1*(298k) = 1257.7 and ΔG*2 (298k) = 1617.1 kJ/mol. Hence, tetraselenosquaric acid is the strongest acid among the three squaric acids (3, 4‐dihydroxy‐3‐cyclobutene‐1, 2‐dione, H2 C4 3,4‐dithiohydroxy‐3‐cyclobutene‐1,2‐dithione, H2C4 S4, 3, 4‐diselenyl‐3‐cyclobutene‐1,2‐diselenone, H2C4Se4).
Synthesis and crystal structure of heteronuclear La( III )‐Cu(II ) complex { [LaCu2(NTA)2(4,4′‐bpy)(H2O)3]NO3·5H2O}n
Authors: Liang Fu‐Pei , Chen Zi‐Lu , Hu Rui‐Xiang , Liang Hong , Zhang Man‐Bo , Yu Kai‐Bei
Published: September 2010

A novel La( III )‐Cu( II ) heterometallic coordination polymer {[LaCu2(NTA)2(4,4′‐bpy)(H2O)3]NO3·5H2O]n, where H3NTA denotes nitrilotriacetic acid and 4,4′‐bpy denotes 4, 4‐bipyridine, was synthesized and characterized by IR spectrum, elemental analysis and X‐ray diffraction. The complex crystallizes in the triclinic space group Pi with cell parameters a = 1.33710(10) nm, b = 1,44530(10) nm, c =1.0949(2) nm, α = 71.905(7)°, β = 74.327(7)°, γ = 64.427(9)°, V = 1.7912(4) nm3and Z = 2. It consists of heterometallic units, in which each La( II ) ion is coordinated in a distorted monocapped square antiprism by three oxygen atoms from water molecules and six carboxyl oxygen atoms from five NTA3− ions, and each Cu( I ) ion is coordinated by one nitrogen atom from 4,4′‐bpy and one nitrogen atom, three oxygen atoms from NTA3−. In the title complex, La( I ) ions and Cu( II ) ions are connected by the heterometallic bridging of NTA3−, constructing a two‐dimensional network structure along the [110]. And it is extended into an infinite three‐dimensional network structure by the formation of homometallic bridging of Cu‐4, 4′‐bpy‐Cu, exhibiting a certain inclusion ability.
Synthesis and characterization of magnetic nano particles
Authors: Qiu Xing‐Ping
Published: September 2010

Magnetic nanoparticles with average diameter in the range of 6.4–8.3 nm have been synthesized by a chemical co‐precipitation of Fe(II) and Fe(III) salts in 1.5 M NH4OH solution. The size of the magnetic particles is dependent on both temperature and the ionic strength of the iron ion solutions. The magnetic particles formed at higher temperature or lower ionic strength were slightly larger man those formed at lower temperature or higher ionic strength respectively. In spite of the different reaction conditions, all the resultant nanoparticles are nearly spherical and have a similar crystalline structure. At 300 K, such prepared nanoparticles are superparamagnetic. The saturation magnetizations for 7.8 and 6.4 nm particles are 71 and 63 emu/g respectively, which are only ∼ 20–30% less than the saturation magnetization (90 emu/ g) of bulk Fe3O4. Our results indicated mat a control of the reaction conditions could be used to tailor the size of magnetic nanoparticles in free precipitation.
ESR spectra studies of Cu(II) 2, 4‐dihydroxybenzaldehyde tyrosine complex
Authors: Chen De‐Yu , Shi Wei‐Liang
Published: September 2010

A novel Schiff base derived from 2,4‐dihydroxybenzaldehyde and tyrosine and its copper(II) complex have been synthesized and characterized. The composition of the complex is K[CuL]·H2O, where L=H11C26NO5. ESR spectra of the copper(II) complex were investigated at different temperatures and in various solvents. The second order effect and the relaxation effect were observed in the solution spectrum at room temperature, which was satisfactorily explained by spin Hamiltonian. The bonding parameters of copper(II) complex were calculated using spectral parameters from ESR spectra at low temperature. Its banding characterization and stability were dismissed. The result shows that the in‐plane α‐bond and the in‐plane π‐bond in the complex all play an important role.
Polymerization of styrene by Novel Ni(a)‐ and Pd(II)‐based complexes
Authors: Sun Hong‐Mei , Yang Mu‐Jle
Published: September 2010

The catalytic activities of nine neutral nickel and palladium α‐acetylide complexes [M= (C=CR)2(PR'3)2, M=Ni, Pd; R = Ph, CH2OH, CH2OOCH, CH2OOCPh, CH2OOCPhOH‐o; R' = Ph, Bu] are compared. Among them, Ni(C‐CPh)2(PBu3)] shows the highest catalytic activity and gives the polystyrene with high molecular weight (Mw= 188800) and a syndio‐rich microstructure. The catalytic behavior of transition metal acetylides is related to metal, phosphine, and alkynyl ligands bonded to the metal atoms.
A stereoselective synthesis of the C(3)‐C(13) and C(14)‐C(24) fragments of macrolactin A
Authors: Li Shu‐Kun , Xu Rui , Xiao Xiang‐Stau , Bai Dong‐Lu
Published: September 2010

Synthetic studies towards the C(3)‐C(13) and C(14)‐C(24) segments (3,4) of the potent antiviral and antitumor compound macrolactin A (1) are presented. Compound 3 was constructed via a convergent and facile approach, exploiting Wittig olefination to generate the sensitive E, Z‐diene moiety. Compound 4 was synthesized from the chiral‐pool derived sulfone 39a via an α‐alkylation‐desulfonation reaction sequence. Cu(II)‐catalyzed coupling of a Grignard reagent with an allylic bromide and Julia olefination were also investigated for the preparation of compound 4.
LC‐MS analysis of the formed peptides from N‐(O, O‐diiso‐propyl) phosphoryl aspartic acid
Authors: Hu Jian‐Jun , Ju Yong , Zhao Yu‐Fen
Published: September 2010

LC‐ESI‐MS method was used to analyze the formed di and tri‐peptide in the reaction system of N‐(O, O‐diisopropyl) phosphoryl aspartic acid and adenosine. Cluster ions of the peptides were given in the ESI‐MS. The structures of these small peptides were confirmed by LC‐MS‐MS analysis. Compared with the traditional HPLC‐UV detection, this method showed good sensitivity and selectivity for peptide in the presence of compounds with strong UV absorption, such as nucleoside and nucleotide.
Synthesis of the β‐keto acids from benzimidazolium iodides and ethyl malonate
Authors: Shi Zhen , Ta Jin‐Yuan
Published: September 2010

The reaction of benzimidazole methiodide with ethyl malonate in the existence of base was studied, and a new convenient synthetic method of the β‐keto acid was provided.
Probing Chemical Dynamics at Surfaces
Authors: Kleyn A. W.
Published: September 2010

An account is given of recent progress concerning chemical reaction dynamics at surfaces. The goal is to elucidate the reaction dynamics at the molecular level, both as time and distance is concerned. The methods of study include molecular beam scattering, scanning tunnelling microscopy, and (femtosecond) laser spectroscopy. Systems studied include elementary interactions of NO, CO, and O2 at single crystal metal surfaces.
Enantioselective Allylic Oxidation of Olefins Using Chiral Quinolinyl‐oxazoline Copper Complex Catalysts
Authors: Li Zhi‐Peng , Wu Xin‐Yan , Zhou Qi‐Lin , Chan Wing‐Lai
Published: September 2010

Copper complexes of chiral quinolinyl‐oxazoline have been studied as the catalysts for enantioselective allylic oxidation of cycloalkenes with tert‐butyl perbenzoate. Using 5 mol% of these chiral catalysts, optical active allylic benzoates were obtained in moderate enantiomeric excesses. CuOTf prepared in situ, CuClO4 and CuPF6 were found to be good precatalysts in acetone.
Insertion Reaction of Aldehydes into Zirconacyclopentanes
Authors: Li Pi‐Xu , Xi Zhen‐Feng , Takahashi Tamotsu
Published: September 2010

Aldehydes reacted with zirconacyclopentane derivatives via insertion into the Zr‐sp3C bond to afford the corresponding 7‐membered zirconacycles.
A Large Scale Separation of Taxanes from the Bark Extract of Taxus yunnanesis and 1H‐ and 13C‐NMR Assignments for 7‐epi‐10‐Deacetyltaxol
Authors: Xue Jun , Cao Chun‐Yang , Chen Jian‐Min , Bu Hai‐Shan , Wu Hou‐Ming
Published: September 2010

A large‐scale separation of paclitaxel from semi‐purified bark extract of Taxus yunnanesis was investigated. The chromatographic behavior of paclitaxel and two dose editing analogues, cephalomannine and 7‐epi‐10‐deacetyltaxol were systematically studied on a C18 bonded phase column with different mobile phase in reverse phase mode. According to the notably different selectivity of the methanol and acetonitrile with water in the mobile phase and the most important requirement of capacity in preparative chromatography, the optimum suitably mobile phase used in a large‐scale isolation of paclitaxel and 7‐epi‐10‐deacetyltaxol on a preparative C18 column was given. Cephalomannine was eliminated by ozonolysis and after then separated throughout a normal phase silica column. The whole large‐scale process for high purity paclitaxel from the bark extract of Taxus yunnanesis consisted of a preliminary purification with Biotage FLASH 150i system based on a prepacked normal phase silica cartridge followed by using a C18 Nova‐pak™ column in Waters PrepLC™ 4000 preparative HPLC system. The structure of 7‐epi‐10‐deacetyltaxol was elucidated by 2D NMR technologies of TOCSY, DQF‐COSY, HMQC and HMBC, etc.
Synthesis and Disproportionation of Mixed Ligand Indium Organometallics Involving Ethyl and β‐Diketonate Chelate Lig‐ands
Authors: Hu Yi‐Min , Huang Xiao‐Hua , Ye Zhong‐Wen , Wang Xiu‐Ran , Gu Jia‐Shan , Sun Jie
Published: September 2010

Twelve compounds either of type Et2ln(diket) or Etln(diket)2 (diket = β‐diketonate) have been synthesized, and all these compounds tend to disproportionate into Et3ln and ln(diket)3 at moderately high temperature. Compounds of the latter type are much more thermally stable than those of the former. Moreover, ln(CH3COCHCOCH3)3 has been synthesized and its crystal structure has been determined.
Study on Reaction of α‐Benzoylhemithioacetal with Alkylamines
Authors: Zou Jim‐Ph , Liu Xian‐Jun , Zhang Jian , Lu Zhong‐E
Published: September 2010

α‐Benzoylhemithioacetal (1) reacted with alkylamines under mild conditions to give 2‐alkylamino‐2‐thiomethyl acetophenones (3) in good yields.
Preparation of Monolithic Ti‐incorporated Mesoporous Silica Materials via Tartaric Acid Templated Sol‐gel Process
Authors: Pang Jie‐Bin , Qiu Kun‐Yuan , Wei Yen
Published: September 2010

Monolithic and transparent Ti‐incorporated mesoporous silica materials of large size (e.g. 2 mm) in dimension have been prepared with tartaric add (TA) as template via sol‐gel reactions of tetraethyl orthosilicate (TEOS) and tetrabutyl titanate (TBT). The materials are characterized by infrared (IR), nitrogen adsorption‐desorption isotherms, powder X‐ray diffraction (XRD) and transmission electron microscopy (TEM). The results indicate that the monolithic materials exhibit large specific surface areas (ca. 1200 mVg) and pore volumes (ca. 0.900 cm3/g).
Allylation of Imines with Allylytterbium Bromide
Authors: Su Wd‐Ke , Zhang Yong‐Min , Li Yong‐Shu
Published: September 2010

In the presence of methyl iodide, metallic ytterbium can easily react with allylic bromide in anhydrous THF to form allylytterbium bromide, which reacts readily with imines to give the corresponding homoallylamines in satisfactory yields under mild and neutral conditions.
A Novel Method for Synthesis of ZSM‐5 Coatings on Monolithic Cordierite Substrate
Authors: Wang Ai‐Qin , Liang Dong‐Bai , Zhang Tao
Published: September 2010

ZSM‐5 coatings, have been synthesized onto a monolithic cordierite substrate by an environmental friendly and high coating selectivity method—Vapor Phase Transport (VPT). With this method, an aluminosilicate gel coated onto the monolithic cordierite substrate has been transformed into a ZSM‐5 layer under vapors of n‐butylamine and water, n‐Butylamine played a key role in the forming of ZSM‐5 layer on the cordierite substrate. The ZSM‐5/cordierite monolith composites prepared by this method were ion‐exchanged with Cu2+ and tested for the selective catalytic reduction of NO by propane. The deNOx activities of Cu/ZSM‐5 monolith catalysts were not only dependent on the ion‐exchange methods, but also on the ZSM‐5 loading of the monolith catalysts. The best result was obtained over the Cu (B3)/ZSM‐5 monolith catalyst, which had a ZSM‐5 loading of about 13% and was prepared by a pressure exchange procedure. At a temperature of 723 K and a space velocity of 10,000 h−1 (based on the monolith volume), 85% of NO conversion and 93% of C3H3 conversion were achieved over the Cu(B3)/ZSM‐5 monolith catalyst.
Electronic Structures of Asymmetrically Substituted Phthalocyanines and Their Second Non‐linear Optical Properties
Authors: Zhang Tian‐Li , Yan Ji‐Min
Published: September 2010

Quantum‐chemical AM1 calculations were performed to study the geometries, the electronic structures and the second nonlinear optical properties of phthalocyanine and some asymmetrically substituted phthalocyanines, which include tert‐butyl, amino, dimethylamino, nitro, fluoro, chloro, bromo, iodo and nitrile substituents. The relationships of the second nonlinear optical coefficients β with dipole moment μ, and β with the energy‐gap differences of frontier orbitals ΔEDA were discussed. Two relationships are regular and all ΔEDA ‐ μ show very good linear relationship.
Biocatalytic Resolution of para‐Nitrostyrene Oxide by Resting Cells of Different Aspergillus niger Strains
Authors: Jin Hao , Wang Qing , Li Zu‐Yi
Published: September 2010

Biocatalytic resolution of racemic para‐nitrostyrene oxide was accomplished by employing the epoxide hydrolases from the whole cells of several Aspergillus niger (A. niger) strains. In the cases investigated, excellent selectivity was achieved with such strains as A. niger 5450, A. niger 5320.
Furofuran Lignans from Cuscuta chinensis
Authors: Xiang Sheng‐Xi , He Zhi‐Sheng , Ye Yang
Published: September 2010

Three furofuran lignans named neocuscutasides A, B and C were obtained from the ethanolic extract of the dried seeds of Cuscuta chinensis and their structures were characterized by chemical and spectroscopic methods.
A Novel Triterpenoid Lactone, Schiprolactone A, from Schisandra propinqua (Wall.) Hook. f. et Thorns
Authors: Chen Ye‐Gao , Qin Guo‐Wei , Xie Yu‐Yuan
Published: September 2010

Schiprolactone A, a triterpenoid lactone with a new side chain skeleton was isolated from the stems of Schisandra propinqua together with schisanlactones A and B. Their structures were elucidated by spectral studies.
Intramolecular Coaggregation Behavior in Novel Cyclotriveratrylenes with Cholic Acid Podants
Authors: Li Zhan‐Ting , Zhao Xin , Jiang Xi‐Kui , Zhao Cheng‐Xue , Chen Zhang , Chen Yun‐Tao
Published: September 2010

Two molecules la and 1b consisting of one cyclotriveratrylene (CTV) and three cholic acid podants have been designed and synthesized. Fluorescent studies in water/dimethoxyethane mixtures reveal an intramolecular coaggregation between the CTV and the attached cholic acid moieties. Their fluorescent emission intensity increases and then decreases with the increase of water content, whereas under the same measuring conditions the intensity of CTV derivative 2a, which possesses no similar cholic acid moiety, increases and then reaches a maximum value. The intensity decrease in la and 1b has been attributed to the decrease of the microenvironmental polarity in media of increasing polarity because of the shielding effect of the hydrophobic face of the cholic acid moiety.
Adsorption and Vibration of Carbon on Low Index and Defect Nickel Surface
Authors: Zhang Wen‐Xia , Qiao Qing‐An , Chen Shou‐Gang , Cai Mei‐Chao , Wang Ze‐Xin
Published: September 2010

The 5‐parameter Morse potential of interaction between carbon and the nickel surface was constructed. We studied the adsorption and vibration of carbon atom on Ni(100), Ni(110) and Ni(111) single crystal low index surfaces and obtained the data of adsorption sites, adsorption geometry, binding energy and eigenvibration etc., which were in good agreement with the experimental results. Meanwhile, the influence of step defect on Ni(100) surfaces for carbon adsorption was also investigated.
Properties and Structure of Spinel Li‐Mn‐O‐F Compounds for Cathode Materials of Secondary Lithium‐ion Battery
Authors: Chen Zhao‐Yang , Gao Li‐Zhen , Liu Xin‐Quan , Yu Zuo‐Long
Published: September 2010

The spinel Li‐Mn‐O‐F compound cathode materials were synthesized by solid‐state reaction from calculated amounts LiOH‐H2O, MnO2(EMD) and LiF. The results of the electrochemical test demonstrated that these materials exhibited excellent electrochemical properties. It's initial capacity is ‐ 115 mAh.g1 and reversible efficiency is about 100%. After 60 cycles, its capacity is still around 110 mAh.g1 with nearly 100% reversible efficiency. The spinel Li‐Mn‐O‐F compound possibly has two structure models: interstitial model [Li]‐[Mn3+xMn4+2‐x]O4Fδ, in which the fluorine is located on the interstice of crystal lattice, and substituted model [Li]‐[Mn3+xMn4+2‐x]O4‐δFδ, which the fluorine atom substituted the oxygen atom. The electrochemical result supports the interstitial model [Li][Mn3+xMn4+2‐x]O4Fδ.
Iotroridoside‐A, a Novel Cytotoxic Glycosphingolipid from the Marine Sponge Iotrochota ridley
Authors: Deng Song‐Zhi , Tian Chun‐Lei , Xiao Ding‐Jun , Wu Hou‐Ming
Published: September 2010

A new cytotoxic glycosphingolipid, Iotroridoside‐A, was isolated from the marine sponge Iotrochota ridley collected from the South China Sea near Hainan Island, China. On the basis of chemical degradation method and IR, MS, 1H NMR, 13C NMR and 2D NMR spectrometry, its structure was assigned as 1‐O‐β‐D‐glucopyranosyl‐2‐[(4′ Z)‐2′‐hydroxytetracosene amido]‐4‐tetradecyl‐1, 3, 4‐butantriol. The new compound exhibits strong cytotoxicity against L1210 murine leukemia cells in vitro (ED50 = 0.08 μg/mL).
Synthesis and Characterization of Surfactant PEG Macromonomers with Fluorocarbon End‐capped Groups and its Copolymers
Authors: Liu Shou‐Ping , Du Li‐Bin , Zhuang Dong‐Qing , Zhang Yun‐Xiang , Chen Jun‐Yan , Jiang Ming , Wu Shu‐Guang , Swift Graham
Published: September 2010

Fluorocarbon (RF) or hydrocarbon (RH) end‐capped PEG macromonomers were prepared by coupling method. Several factors mat affect the synthesis were studied and optimum condition was obtained. The critical micelle concentrations (CMC) of these macromonomers were determined by fluorescence method. A new type of fluorocarbon‐containing hydrophobically modified alkali swellable/soluble copolymers were obtained by copolymerization of RF or RH alkyl endcapped PEG macromonomers with acrylic acid in organic solvent The preliminary researches on viscosity property of these copolymer solutions were conducted under different conditions, such as various macromonomer content in the copolymer, polymer concentration, shear rate, pH value and temperature. All the results proved that there existed a very strong hydrophobic association among hydrophobes in these copolymer solutions.
Synthesis and Hill Inhibitory Activity of New Substituted 3‐Aryl‐5‐cyano‐6‐methylthio Pyrimidine‐2, 4‐diones
Authors: Liu Hua‐Yin , Hu Fang‐Zhong , Yang Hua‐Zheng
Published: September 2010

Novel substituted derivatives of 3‐aryl‐5‐cyano‐6‐methylthiopyrimidine‐2, 4‐diones were synthesized by the reaction of ethyl 2‐cyano‐3,3′‐dimethylthioacrylate with arylureas in good yields. The structures of all title compounds were evaluated by elemental analyses and 1H NMR spectra and compound 2c was also confirmed by X‐ray diffraction. Hill reaction inhibitory activity of title compounds was assayed.
Synthesis and Solid‐state Reaction of 1‐[3′‐(Benzotriazol‐2″‐yl)‐4′ ‐hydroxybenzoyl]‐3‐methyl‐5‐pyrazolones
Authors: Han Xiao‐Chun , Xu Xue‐Yu , Li Xiao‐Lu , Wang Yong‐Mei , Matsuura Teruo , Meng Ji‐Ben
Published: September 2010

A new kind of UV stabilizers, 1‐(3′‐(benzotriazol‐2″‐yl)‐4′‐hydroxy‐benzoyl)‐3‐methyl‐5‐pyrazolones (1a‐d), was synthesized with the aim to bind them chemically to certain polymers. The reaction of 1d with substituted benzaldehydes 4 in the molten state at 150°C and in the solid state at room temperature produced the condensation products l‐(3′‐(5″‐chlorobenzotriazol‐2″‐yl)‐4′‐hydroxyl‐5′‐chlorobenzoyl)‐3‐methyl‐4‐arylmethylene‐5‐pyrazolones (2) and 4,4′‐arylmethylene‐bis [1‐(3′‐(5″‐chloro‐benzotriazol‐2″‐yl)‐4′‐hydroxy‐5′‐chloro‐benzoyl)‐3‐methyl‐5‐pyrazolone] s (3), respectively, as the major product. On the other hand, the reaction of 1d with 4 at 50°C in chloroform solution proceeded non‐selectively to give a mixture of 2 and 3.
Asymmetric Hetero Diels‐Alder Reaction of Chiral Imines with Danishefsky's Diene Catalyzed by Yb(OTf)3
Authors: Qian Chang‐Tao , Wang Long‐Cheng , Chen Rui‐Fang
Published: September 2010

Reaction of chiral imines with Danishefsky's diene in the presence of a catalytic amount (20 mol%) of ytterbium triflate afforded the corresponding hetero Diels‐Alder adducts with a moderate to good diastereoselectivity.
Development of Pesticides Based on Phytoalexins.: Part 1: Design and Synthesis of Flavanone Analogues via Bioisosterism Substitution
Authors: Yang Guang‐Fu , Jiang Xiao‐Hua , Ding Yu , Yang Hua‐Zheng
Published: September 2010

In order to search for novel fungicides with high activity, a series of 2‐heteroaryl‐4‐chromanones were designed and synthesized via bioisosterism substitution. The structures of all new compounds were confirmed by spectroscopic methods and microanalyses. Preliminary bioassays indicated that some compounds showed fungicidal activity against Rhizoctonia solani, Fusarium oxysporum, Physalospora piricola and Cercospora beticola.
Crystal Structure and Characterization of Pd(II) Bis(diiso‐propyldithiocarbamate) Complex
Authors: Xu Liang‐Zhong , Zhao Pu‐Su , Zhang Shu‐Sheng
Published: September 2010

The crystal and molecular structure of [Pd(iPr2dtc)2] (dtc = dithiocarbamate) have been determined by X‐ray crystallography. The unit cell of the crystal structure consists of two discrete monomelic molecules of [Pd(iPr2dtc)2]. The Pd(II) ion has an square‐planar geometry. The electronic and IR spectral data are in agreement with the X‐ray structure. The TG data indicate slight degradation of a few percent.
Characterization and Activity of Cu‐MnOx/γ‐Al2O3 Catalyst for Hydrogenation of Carbon Dioxide
Authors: Qi Gong‐Xin , Zheng Xiao‐Ming , Fei Jin‐Hua , Hou Zhao‐Yin
Published: September 2010

The effect of manganese on the dispersion, reduction behavior and active states of surface of supported copper oxide catalysts have been investigated by XRD, temperature‐programmed reduction and XPS. The activity of methanol synthesis from CO2/H2 was also investigated. The catalytic activity over CuO‐MnOx/γ‐Al2O3 catalyst for CO2 hydrogenation is higher than that of CuO/γ‐Al2O3. The adding of manganese is beneficial in enhancing the dispersion of the supported copper oxide and make the TPR peak of the CuO‐MnKx/γ‐Al2O3 catalyst different from the individual supported copper and manganese oxide catalysts, which indicates that there exists strong interaction between the copper and manganese oxide. For the CuO/γ‐Al2O3 catalyst there are two reducible copper oxide species; α and β peaks are attributed to the reduction of highly dispersed copper oxide species and bulk CuO species, respectively. For the CuO‐MnOx/γ‐Al2O3 catalyst, four reduction peaks are observed, α peak is attributed to the dispersed copper oxide species; β peak is ascribed to the bulk CuO; γ peak is attributed to the reduction of high dispersed CuO interacting with manganese; δ peak may be the reduction of the manganese oxide interacting with copper oxide. XPS results show that Cu+ mostly existed on the working surface of the Cu‐Mn/γ‐Al2O3 catalysts. The activity was promoted by Cu with positive charge which was formed by means of long path exchange function between CuOMn. These results indicate that there is synergistic interaction between the copper and manganese oxide, which is responsible for the high activity of CO2 hydrogenation.
Solution Structures and Spectra of VO(II)‐Serine‐Phenanthroline Ternary System
Authors: Chen De‐Yu , Shi Wei‐Liang , Chen Shi‐Ming , Yan Xiao‐Min
Published: September 2010

ESR spectra of VO(II)‐serine(Ser)‐phen system in binary solvent glycol/water (V/ V = 1:1) solution at various acidities (pH= 1‐14) have been observed at low temperature. It was found that in different pH ranges different structural complexes were formed. According to Johnson's rule and IR, their possible structures were suggested. The bonding parameters of complexes were calculated from ESR parameters. It can be seen that the or values of complexes decrease following the increasing of an N donor replacing the O donor of water on the equatorial plane in the complexes. This means that the covalent bonding between vanadium and ligands increases as amino and phen ligands replace water ligands. The crystal field parameters were calculated by using electronic spectral data. The coordination law was discussed. It was obtained that the coordination reactivity of phen is much stronger than that of Ser.
Hydrophobic Acceleration of Electron‐Transfer Fluorescence Quenching Processes between Excited 1‐Alkanoylperylenes and Ferrocene Derivatives
Authors: Shi Ji‐Liang , Xu Jia‐Yi , Jiang Xi‐Kui
Published: September 2010

Coaggregation‐facilitated Electron‐transfer (ET) fluorescence quenching processes between an excited 1‐alkanoylperylene (Pe‐n, n = 4, 8, 12) as an acceptor and an 1‐alkanoylferrocene (Fc‐m, m = 4, 8, 12, 16) or a 1,1‐dialkanoylferrocene (Fc‐m‐2, m =4, 8, 12, 16) as a donor have been investigated by means of fluorescence spectroscopy in dioxane (DX)‐H2O binary solvents of different Θ values, where Θ is the volume fraction of the organic component of an aquiorgano mixture. This is a first observation of an ET processes facilitated by hydrophobic‐lipophilic interaction (HLI) with organometallic compounds as donors. The extent of HLI‐driven co‐aggregation between the acceptor and the donor may be assessed from the efficiency of fluorescence quenching, i. e., the slope B of Eq. (2). The chain‐foldability effect and the intramolecular “self‐satisfaction” of HLI for Fc‐m‐2 have been observed. The experimental results show that the behavior of Fc‐m as a quencher for fluorescence quenching of Pen is rather similar to that of N‐alkylsubstituend phenothiazine.
Synthesis of Benzofuran Analogue of Go6976, an Isoform‐Selective Protein Kinase C Inhibitor
Authors: Ma Da‐Wei , Zhang Yong‐Da , Zhang Xin‐Rong , Wu Shi‐Hui , Tao Feng‐Gang
Published: September 2010

Based on the structure of Go6976, a known isoform‐selective protein kinase C inhibitor, a benzofuran analogue (1) was designed. This analogue was synthesized by coupling of benzofuran 3‐acetic acid and 8‐oxo‐tryptamine and subsequent intramolecular Dieckmann condensation, alkylation, oxidative photocydization and cyanation reaction of mesylate.
A Theoretical Study on Cucurbit[7]uril and Its Inclusion Complexation
Authors: Zhang Ke‐Chun , Mu Ting‐Wei , Liu Lei , Guo Qing‐Xiang
Published: September 2010

PM3 and B3LYP/3–21g* calculations were performed on cucurbit[7]uril and its complex with protonated 2, 6‐bis (4, 5‐dihydro‐1 H‐imidazot‐2‐yl) naphthalene. The results agreed well with the experimental observations. It indicated that in addition to van der Waals interaction and hydrophobic effect, hydrogen bonding is also an important driving force for the molecular recognition of cucurbiturils.
Study of Thermokinetic Properties of Sodium Selenite on Bacillus thuringiensis Cry B by Microcalorimetry
Authors: Li Xi , Liu Yi , Zhao Ru‐Ming , Yu Zi‐Niu , Song‐Sheng Qu
Published: September 2010

By using an LKB2277 Bioactivity Monitor, the power‐time curves of Bacillus thuringiensis Cry B at 28°C effected by Na2SeO3 were determined. Some parameters, such as growth rate constants k, inhibitory ratio I, the maximum beat production rate Pmax, heat output Q, were obtained. Considering both the growth rate constant k and heat output Q, we found that a low concentration of Na2SeO3 had a promoting action on the growth of Bacillus thuringiensis Cry B, but a high concentration of Na2SeO3 had an inhibitory action. The toxicity of a toxicant can also be expressed as half inhibitory concentration IC50 of toxicant, i. e., 50% effective in this inhibition. The value of IC50 of Na2SeO3on Bacillus thuringiensis Cry B is 117 μg/mL. This microcalorimetric bioassay for cellular toxicity is based on metabolic heat evolution from cultured cells. The assay is quantitative, inexpensive, and versatile.
Contribution of Solvation Energy in Protein‐Peptide Recognition Systems
Authors: Li Fer , Li Wei , Shen Jia‐Cong
Published: September 2010

The contribution of solvation energy to guiding molecular recognition for six rigid protein‐peptide systems bad been evaluated by the variation in the number of the identified native‐like configurations and in the driving force of specific interaction resulting from the addition of the explicit solvation term in the force field function. The AMBER force field energy and the total energy including the force field energy and the WZS solvation energy were calculated for sampled configurations. The results obtained by the calculations of both force field and total energies were compared with each other. It suggests that the contribution of solvation energy is important to guiding the specific recognition of the systems in which the ligands possess larger hydrophobic or aromatic residues while the protein receptors provide the active surfaces with hydrophobic property.
Synthesis and Crystal Structure of [Nd(η6‐1, 3, 5‐C6H3Me3)‐(AlCl4)3](C6H6) and Structural Comparison of Ln(η6‐arene)‐(AlCl4)3
Authors: Yao Ying‐Ming , Zhang Yue , Shen Qi , Liu Qian‐Cai , Meng Qing‐Jin , Lin Yong‐Hua
Published: September 2010

Reaction of Ndcl3 with AlCl3 and mesitylene in benzene gives complex [Nd(η6‐1, 3, 5‐C6H3Me3)‐(AlCl4)3](C6H6) (1) which was characterized by elemental analysis, IR spectra, MS and X‐ray diffractions. The X‐ray determination indicates that 1 has a distorted pentagonal bipyramidal geometry and crystallizes in the monoclinic, space group P21/n with a = 0.9586(2), b = 1.1717(5), c = 2.8966(7) nm, β = 90.85 (2)°, V = 3.2529 (6) nm3,Dc= 1.573 g/cm3, Z = 4. A comparison of bond parameters for all the reported Ln (η6‐Ar) (AlCl4)3 complexes indicates that the bond distance of LaC is shortened with the increasing of methyl group on benzene and with the decreasing of radius of lanthanide ions.
Solid Solubility, Raman Spectra and Electrical Property of the Solid Solutions Ce1‐xNdxO2‐δ by Sol‐gel Route
Authors: Lin Xiao‐Min , Li Li‐Ping , Li Guang‐She , Su Wen‐Hui
Published: September 2010

Ce1‐xNdxO2‐δ (x = 0.05–0.55) solid solutions prepared by sol‐gel route were crystallized in a cubic fluorite structure. The solid limit was determined to be as high as x = 0.45. Raman spectra of the solid solutions with lower composition exhibited only one band, which was assigned to F2g mode. Increasing composition produced broad and asymmetric F2g mode with an appearance of low frequency tail. The new broad peak observed at higher frequency side of the F2g mode associated with the oxygen vacancy in the lattice. The impedance spectra of the solid solutions showed definitely ionic conduction, and Ce0.80Nd0.20O2‐δ solid solution possessed a maximum conductivity. At 500 °C, the conductivity and activation energy were 2.65 × 10−3S/cm and 0.82 eV, respectively.