bluuebunny/crossref_metadata_2025 huggingface dataset:
Self‐assembly of Novel Hetero[3]rotaxane, [2]Rotaxanes and [2]Catenane
Authors: Zhang Wei‐Xing , Fan Cui‐Qin , Tu Bo , Zhao Xin , Jiang Xi‐Kui , Li Zhan‐Ting
Published: September 2010

One linear template 13 and one cyclophane template 15, both incorporating two electron rich 1,4‐dialkoxybenzene units and one diamide unit, have been synthesized. By utilizing donor‐acceptor interaction and/or intermolecular hydrogen bonding assembling principles, one novel hetero[3]rotazane 22·4Cl, possessing one neutral and one tetracationic ring components, has been synthesized from 13, through neutral [2]rotaxane 21 as intermediate. With 15 as template, tetracationic [2]catenane 23·4PF6 was assembled by using donor‐acceptor interaction, but no neutral [2]rotaxane could be obtained under the typical conditions of hydrogen bonding assembling principle. The interlocked supramolecular compounds have been characterized and their spectral properties are investigated.
Synthesis and Spectroscopic Characterizations of an Insulinomimetic Peroxovanadate Complex in Aqueous Solution
Authors: Cai Shu‐Hui , Yu Xian‐Yong , Chen Zhong , Wan Hui‐Lin
Published: September 2010

The reaction system of diperoxooxalatovanadate {K3[VO(O2)2‐(C2O4)]·H2O, bpV(Oxa)} and imidazole was studied in an aqueous solution by ID multinuclear (1H, 13C and 51V) NMR, 2D NMR diffusion ordered spectroscopy (DOSY), and variable temperature NMR techniques. It was shown that DOSY was a useful tool for the study of a mixture. All of the 1H and 13C NMR signals of the peroxovanadate (V) complexes were assigned. The NMR experimental results indicated that a new complex was formed through the coordination interactions between bpV(Oxa) and imidazole. The newly‐formed complex is stable under the experimental condition. Electrospray ionization mass spectrometry (ESI‐MS) provides positive evidence to support the conclusion.
Direct Electrochemistry of Horseradish Peroxidase Embedded in Nano‐Fe3O4Matrix on Paraffin Impregnated Graphite Electrode and Its Electrochemical Catalysis for H2O2
Authors: Gong Jing‐Ming , Lin Xiang‐Qin
Published: September 2010

Fe3O4particles coated with acrylic copolymer (ACP) of about 5–8 nm in diameter were synthesized and used for immobilization of horseradish peroxidase (HRP). Direct electrochemistry of HRP embedded in the nanosized Fe3O4solid matrix modified paraffin impregnated graphite electrode (PIGE) was achieved, which is related to the heme Fe(III)/Fe(II) conversion of HRP. Cyclic voltammetry gave a pair of reproducible and well‐defined redox peaks at aboutEmof‐0.295 V vs. SCE. The standard rate constantk2was determined as 2.7 s−1. It demonstrated that the nano‐Fe3O4solid matrix offers a friendly platform to assemble the HRP protein molecules and enhance the electron transfer rate between the HRP and the electrode. UV‐Vis absorption spectra and FTIR spectra studies revealed that the embedded HRP retained its native‐like structure. The HRP/Fe3O4/PIGE showed a strong catalytic activity toward H2O2. The voltammetric response was a linear function of H2O2concentration in the range of 10–140 μmol/L with detection limit of 7.3 μmol/L (s/n= 3). The apparent Michaelis‐Menten constant is calculated to be 0.42 mmol/L.
Structural Effect on Eu(fod)3‐Catalyzed Rearrangement of Allylic Esters
Authors: Dai Wei‐Min , Mak Wing‐Leung
Published: September 2010

A detail study on the Eu(fod)3‐catalyzed rearrangement of allylic esters was described. A significant effect of the substituents at the allylic backbone was observed. The migrating tendency of the alkoxyacetates was established in the order of p‐CF3C6H4CH2OCH2CO2 > MeOCH2CO2 > PhCH2OCH2CO2 > p‐MeOC6H4CH2OCH2CO2.
A Facile Synthetic Method for the Preparation of s̀‐Symmetric (1, 2:4, 5)‐Diepoxypentane Equivalent
Authors: Jiang Biao , Chen Zi‐Li , Shen Min , Wang Zhi‐Min , Shi Min
Published: September 2010

Optically active s̀‐symmetric (1, 2:4, 5)‐diepoxypentane equivalent (10) has been synthesized in eight steps with moderate yields and diastereomeric excess by using Sharpless asymmetric dihydroxylation (AD reaction). Compound 10 can be used to prepare syn 1,3‐diol subunit in natural product.
A New Approach to the Asymmetric Reaction of the Chiron 5‐L‐Menthyloxy‐2(5H)‐furanones with Horner‐Emmons Reagent
Authors: Li Xue‐Qiang , Wang Feng‐Rong , He Lan , Chen Qing‐Hua
Published: September 2010

The asymmetric reaction of the chiron 2(5H)‐furanones (4a–4c) with the Horner‐Emmons reagents (5a—5b) has been investigated. The newly chiral organophosphorus derivatives 6 and 7 were obtained using the phosphoryl‐stabilized carbanion as a building block in DMSO under mild conditions. Through the asymmetric introduction, the Horner‐Emmons reagent could be transformed to a chiral building block to afford the novel functionalized phosphorus derivatives. The structures of the synthesized compounds 6 and 7 were identified on the basis of their elementary and spectroscopic data, such as IR, 1H NMR, 13C NMR, MS and X‐ray crystallography. These results provided a valuable approach to the synthesis of potentially interesting chiral organophosphorus derivatives and probing their biological activities.
Syntheses of Two Potential Ligands for Tc‐99m Labeling as Diagnosis Agents of Alzheimer's Disease
Authors: Zhuang Zhi‐Ping , Kung Mei‐Ping , Ono Masahiro , Hou Catherine , Kung Hank F.
Published: September 2010

Two types of ligands‐biphenyl and stilbene derivatives, which can be labeled with Tc‐99m for the diagnosis of Alzheimer's disease (AD) have been synthesized successfully. The key steps in these two syntheses involved Suzuki reaction and Wittig reaction respectively. The new discovered debromination reaction may be expanded to the compounds with double or triple bond adjacent to the carbon atom bearing the bromine atoms. These types of syntheses provide a route to a series of biphenyl and stilbene derivatives that will benefit the search of new imaging agents for AD.
Cleavage of the Fe–Fe Bond of (Me2SiSiMe2)[η5‐C5H4Fe (CO)2]2 with Na/Hg and Molecular Structure of the Ring‐Opened Complex
Authors: Sun Hud‐Lin , Zhang Zhen‐Sheng , Zhou Xiu‐Zhong
Published: September 2010

The reaction of the title cyclic complex (1) with sodium amalgam in THF resulted in the expected cleavage of the Fe—Fe bond to afford bis‐sodium salt (Me2SiSiMe2) [η5‐C5H4Fe (CO)2Na]2 (4). The latter was not isolated and was used directly to react with MeI, PhCH2Cl, CH3C(O)Cl, PhC(O)Cl, Cy3SnCl (Cy = cyclohexyl) or Ph3SnCl to afford corresponding ring‐opened derivatives (Me2SiSiMe2) [η5‐C5H4Fe (CO)3R]2 [5, R=Me; 6, R = PhCH2; 7, R = CH3C(O); 8, R = PhC (O); 9, R = Cy3Sn or 10, R = Ph3Sn]. The crystal and molecular structures of 10 were determined by X‐ray diffraction analysis. The molecule took the desired anti conformation around the Si—Si bond. The length of the Si—Si bond is 0.2343(3) nm, which is essentially identical to that in the cyclic structure of 1 [0.2346(4) nm]. This result unambiguously demonstrates that the Si—Si bond in the cyclic structure of 1 is not subject to obvious ring strain.
Study on Synthesis of Multivalent Neoglycoproteins and Their Binding Properties to Hepatic Stellate Cells
Authors: Zhang Jian , Zhang Qi‐Sheng , Tian Geng‐Yuan
Published: September 2010

Neoglycoproteins of human serum albumin (HSA) modified with some kind of carbohydrates were synthesized. Their molecular weight and purification were determined by HPSEC and SDS‐PAGE, respectively. The binding properties of these conjugates to hepatic stellate cells (HSCs) were evaluated by confocal fluorescence microscopy. The bioactivity revealed that compound 4a (HSA modified with glucose) showed high binding affinity.
Syntheses and Crystal Structure of Six‐coordinated Diorgnotin Complexes with 2, 5‐Dimercapto‐4‐phenyl‐1, 3,4‐thiodiazoIe
Authors: Ma Chun‐Lin , Li Feng , Zhang Ru‐Fen , Wang Da‐Qi
Published: September 2010

The reactions of diorganotin dichloride [Ph2SnCl2, (PhCH2)2‐SnCl2 or (n‐Bu)2SnCl2] with potassium salt of 2, 5‐dimercapto‐4‐phenyl‐1, 3, 4‐thiodiazole gave complexes R2Sn (S3N2C8H5)2 (4: R = Ph; 5: R = PhCH2 and 6: R = n‐Bu), respectively. Characterizations were carried out for all complexes by IR, 1H NMR spectra and X‐ray crystallography analysis. Including the Sn…︁N interaction, the three complexes all have six‐coordinated distorted octahedral geometry. Based on the requence of stereochemical constraint sequence, phenyl≈benzyl > n‐butyl, the less the effect of the stereochemical constraint of R groups, the shorter the Sn…︁N length. In complexes 5 and 6, there exist S…︁S weak intra‐molecular interactions, through which the complexes are dissociated into loose 2D polymers. All three complexes show antitumour activity in bioactivity measurements.
Lipase‐Catalyzed Resolutions of both Enantiomers of Ornidazole and Secnidazole
Authors: Tian Ping , Peng Jia‐Shi , Li Zu‐Yi , Lin Guo‐Qiang
Published: September 2010

The resolutions of both enantiomers of the ornidazole and secnidazole were achieved with high enantiomeric excesses (ee > 99%) by acylation of the corresponding racemates with vinylacetate in the presence of lipase Amano AK (from Pseudomonas sp.). The assignments of the absolute configurations of (+) or (‐)‐ornidazole and secnidazole are described.
Structural Features of Fructans from the Root of Cyathula officinalis Kuan
Authors: Chen Xiao‐Ming , Tian Geng‐Yuan
Published: September 2010

Three fructans (CoPS1, CoPS2 and CoPS3) were isolated from the root of Cyathula officinalis Kuan, a traditional Chinese medicine. The structures of the fructans were determined by methylation, reductive‐cleavage method combined with GC‐MS analysis, and 13C NMR spectroscopy. These results show that the fructans (CoPS1, CoPS2 and CoPS3) are graminan type fructans, and comprised of (2→1)‐and (2→6)‐linked β‐D‐fructofuranosyl backbone residues containing high branches.
Application of Pac Ester in Thioester Method for the Synthesis of Cyclopentapeptides
Authors: Liu Mian , Tian Gui‐Ling , Ye Yun‐Hua
Published: September 2010

Thioester method for the synthesis of cyclopeptides is improved by using Pac (Pac = phenacyl, CH2COC6H5) ester as a protecting group of 3‐mercaptopropionic acid. The Pac group is easy to be removed from C‐terminal with zinc in acetic acid. The protected glycine thioester and peptide thioesters synthesized by the improved method, are easy to be purified, so the final linear peptides are pure enough for the following cyclization. Furthermore, this method is flexible for peptide chain elongation, either from C‐terminal or from N‐terminal. So it is an efficient and practical method for synthesis of bioactive peptides. Two N‐protected pentapeptide thioesters, Boc‐Pro‐Tyr‐Leu‐Ala‐GlySCH2CH2COOPac and Boc‐Ala‐Tyr‐Leu‐Ala‐Gly‐SCH2CH2‐COOPac were synthesized by the improved thioester method. After deprotecting Pac ester with zinc in aqueous acetic acid and Boc group with trifluoroacetic acid in CH2Cl2, two free pentapeptide thioesters were obtained. Ag+‐assisted cyclization in acetate buffered solution afforded two cyclic pentapeptides c(Pro‐Tyr‐Leu‐Ala‐Gly) and c(Ala‐Tyr‐Leu‐Ala‐Gly). Effects of different buffer pH, different Ag+ concentrations, etc. on the cyclization were studied.
Alkylation of Sulfur Ligand in Cysteinate‐Iron Chelates by a 1,2,4, 5‐Tetraoxane
Authors: Liu He‐Hua , Wu Yi‐Kang , Shen Xin
Published: September 2010

Reaction of a 1, 2, 4, 5‐tetraoxane with cysteinate‐iron in the presence of excess methyl cysteinate led to formation of sulfuralkylated methyl cysteinate in 33% yield, illustrating a possible mechanism for tetraoxanes'antimalarial action.
Catalytic Asymmetric [2, 3]‐Sigmatropic Rearrangement of Sulfur Ylides Generated from Carbenoids and Allenic 2‐Methylphenyl Sulfide
Authors: Zhang Xiao‐Mei , Ma Ming , Wang Jian‐Bo
Published: September 2010

The first investigation on catalytic asymmetric [2, 3]‐sigmatropic rearrangement of sulfur ylides generated from carbenoids and allenic phenyl sulfide was carried out. Up to 55% ee value was obtained.
Enhancive Synthesis of ‐lβ, 11‐Diol‐4‐en‐eudesmol
Authors: Chen Jin‐Chun , Zheng Guo‐Jun , Zhang Chen , Fang Li‐Jing , Li Yu‐Lin
Published: September 2010

An enhancive synthesis of −1β, 11‐diol‐4‐en‐eudesmol, starting from 2‐chloroacrylonitrile, is described. The effect of temperature on the Diels‐Alder reaction of 2‐chloroacrylonitrile with 2‐methylfuran and the condition of cationic cyclization of diene were discussed in detail.
Consecutive Reaction of Bis [2, 2, 2‐trifluoroethyl] phosphite. One‐pot Synthesis of Substituted 3‐Cyano‐β, γ‐unsaturated Nitriles with Exclusive or Predominant E‐Selectivity
Authors: Shen Yan‐Chang , Zhang Yu‐Ming
Published: September 2010

The consecutive reaction of bis [2, 2, 2‐trifluoroethyl] phosphite and its application to the one‐pot synthesis of 3‐cyano‐β, γ‐unsaturated nitriles with exclusive or predominant E‐selectivity (E:Z = 100–85:0—IS) and excellent yields (94%—99%) are described.
SmI2‐Mediated Addition Reaction of α‐Halomethylsulfones to Carbonyl Compounds. A Convenient Synthesis of β‐Hydroxysulfones
Authors: Huang Xian , Duan De‐Hui , Jin Hong‐Wei
Published: September 2010

Due to the chemoselective dehalogenation by SmI2, the addition of α‐halomethylsulfones to carbonyl compounds afforded β‐hydroxysulfones. Those reactions with α‐bromomethylsulfones gave the products in moderate to good yields. The SmI2‐mediated addition of gem‐dihalomethylsulfones to ketones also afforded α‐halo‐β‐hydroxysulfones in moderate yields.
Synthesis and Characterization of a Novel Perfluorinated Ionomer Polymer Containing Sulfonimide Functionality
Authors: Zhu Shi‐Zheng , Zhang Yun‐Xiang , Jin Gui‐Fang , Desmarteau Darryl D.
Published: September 2010

The novel perfluorinated vinyl ether containing sulfonimide functionality CF2= CFOR1SO2NHSO2CF3was synthesized by multiple reaction steps. It could be copolymerized with tetrafluoroethylene by radox initiator to give a novel perfluorinated ionomer polymer. Its physical and chemical properties were studied.
Two New Lignans from Taxus yunnanensis
Authors: Li Sheng‐Hong , Zhang Hong‐Jie , Yao Ping , Niu Xue‐Mei , Xiang Wei , Sun Han‐Dong
Published: September 2010

The phytochemical investigation on the ethanolic extracts of the barks of Taxus yunnanensis (Taxaceae) led to the isolation of two new neo‐lignans, named taxuyunins A (1) and B (2), a‐long with the known diterpenolignan, brevitaxin (3). Their structures were elucidated on the basis of spectroscopic and chemical evidences. Compound 1 is a neo‐lignan xyloside while compound 2 belongs to the rare neo‐lignan possessing a ramified C3side chain.
Synthesis of a New Cerebroside Isolated from Typhonium giganteum Engl
Authors: Chen Xue‐Song , Wu Yu‐Lin , Chen Di‐Hua
Published: September 2010

The stereoselective synthesis of typhoniside, a new cerebroside isolated from Typhonium giganteum Engl, was accomplished. Cerebrosides are a kind of glycolipids highly enriched on the surface of myelin‐producing cells and are composed by C18–4, 8‐sphingadienine, α‐hydroxy acid and a saccharide head. It was the first time that cerebrosides were isolated from this traditional Chinese medicine (TCM) by us. In this paper, C18–4, 8‐sphingadienine was synthesized from D‐xylose via a SN2 type reaction, α‐Hydroxy acid was prepared from (R)‐4‐hydroxyte‐trahydrofuran‐2‐one, which in turn could be obtained from L‐ascorbic acid.
Molecular Recognition of Bridged Bis(β‐cyclodextrin) s Linked by Phenylenediseleno Tether on the Primary or Secondary Side with Fluorescent Dyes
Authors: Li Li , He Song , Liu Yu
Published: September 2010

A novel β‐cyclodextrin dimer, 2, 2′‐o‐phenylenediseleno‐bridged bis (β‐cyclodextrin) (2), has been synthesized by reaction of mono‐[2‐O‐(p‐tolylsulfonyl)]‐β‐cyclodextrin and poly(o‐phenylenediselenide). The complexation stability constants (K2) and Gibbs free energy changes (‐ΔG°) of dimer 2 with four fluorescence dyes, that is, ammonium 8‐anilino‐1‐naphthalenesulfonate (ANS), sodium 6‐(p‐toluidino)‐2‐naphthalenesulfonate (TNS), Acridine Red (AR) and Rhodamine B (RhB) have been determined in aqueous phosphate buffer solution (pH = 7.2, 0.1 mol‐L−1) at 25 °C by means of fluorescence spectroscopy. Using the present results and the previously reported corresponding data of β‐cyclodextrin (1) and 6, 6′‐o‐phenylenediseleno‐bridged bis (β‐cyclodextrin) (3), binding ability and molecular selectivity are compared, indicating that the bis (β‐cyclodextrin)s 2 and 3 possess much higher binding ability toward these dye molecules than parent β‐cyclodextrin 1, but the complex stability constant for 2 linked from the primary side is larger than that of 3 linked from the secondary side, which is attributed to the more effective cooperative binding of two hydrophobic cavities of host 3 and the size/shape‐fit relationship between host and guest. The binding constant (K2,) upon inclusion complexation of host 3 and AR is enhanced by factor of 27.3 as compared with that of 1. The 2D 1H NOESY spectrum of host 2 and RhB is performed to confirm the binding mode and explain the relative weak binding ability of 2.
A Concise Synthesis of Monoterpene Pyridine Alkaloid Aucubinine B
Authors: Yang Xiao‐Xia , Zhao Jing‐Rui , Jia Xue‐Shun , Yang Li‐Wei , Zhai Hong‐Bin
Published: September 2010

Aucubinine B (4), a monoterpene alkaloid obtained from the metabolites of aucubin in the presence of human intestinal bacteria, has been synthesized from 3‐bromo‐4‐pyridinecarboxaldehyde (5) in four steps with 39% overall yield. The construction of the cyclopenta[c]pyridine intermediate (7) was realized by an intramolecular Heck reaction.
Remarkably Accelerated Regioselective Hydrogenolysis of Terminal Epoxides in the Presence of CoCl2 or NiSO4
Authors: Shen Xin , Chao‐Jun Tang. , Wu Yi‐Kang
Published: September 2010

The rate of atmospheric pressure hydrogenolysis of terminal epoxides over palladium‐charcoal to the corresponding methyl alcohols could be remarkably accelerated by introduction of CoCl2 or NiSO4.
Structural Characterization of a Polyaluminosilazane Precursor Prepared by Polymerizing Hexamethylcyclotrisilazane with Aluminum Acetylacetonate
Authors: Chu Zeng‐Yong , Feng Chun‐Xiang , Song Yong‐Cai , Li Xiao‐Dong , Xiao Jia‐Yu
Published: September 2010

A new polyaluminosilazane precursor was prepared by polymerizing hexamethylcyclotrisilazane (HMCTS) with aluminum acetylacetonate and the structure of the precursor was characterized by FT‐IR and XPS analysis. Result shows that aluminum was incorporated mainly in form of Al—N bond. Oxygen was also detected and found that it was mainly bonded to silicon.
Synthesis and Characterization of PE‐g‐MA/MgAl‐LDH Exfoliation Nanocomposite via Solution Intercalation
Authors: Wei Chen, , Bao‐Jun Qu,
Published: September 2010

An organo‐modified MgAl‐layered double hydroxide (OMgAl‐LDH) was successfully exfoliated in the xylene solution of polyethylene‐grafted‐maleic anhydride (PE‐g‐MA) under re‐fluxing condition. A PE‐g‐MA/MgAl‐LDH exfoliation nanocomposite was formed after the precipitation of PE‐g‐MA from the dispersion system. The structure and thermal property of the PE‐g‐MA/MgAl‐LDH exfoliation nanocomposite were characterized by X‐ray diffraction (XRD), transmission electron microscopy (TEM), and thermogravimetry analysis (TGA). The disappearance of d001 XRD peak of OMgAl‐LDH at 20 = 3.2° suggests that the MgAl hydroxide sheets are exfoliated in the nanocomposite. The TEM image shows that the MgAl hydroxide sheets of less than 70 nm in length or width are exfoliated and dispersed disorderly in PE‐g‐MA matrix. TGA profiles indicate that the PE‐g‐MA/MgAl‐LDH nanocomposite with 5 wt% OMgAl‐LDH loading shows a faster charring process in temperature range from 210 to 390 °C and a greater thermal stability beyond 390 °C than PE‐g‐MA does. The decomposition temperature of the nanocomposite is 25 °C higher than that of PE‐g‐MA as measured at 50% weight loss. The PE‐g‐MA/MgAl‐LDH nanocomposite is promising for application of flame‐retardant polymeric materials.
Prediction of Retention Time of Solutes under Linear Gradient Elution Conditions in RP‐HPLC
Authors: Geng‐Liang Yang , Bao‐Juan Tian , Yi Chen , De‐Xian Wang
Published: September 2010

A model for predicting retention tune of solutes under linear gradient elution conditions has been established. In this model, the theoretical expressions under different elution modes were derived and tested with the retention behaviors of p‐hydroxybenzaldehyde, vanillin, biphenyl, phenanthrene in gradient elution. With taking into account the dwell time of the instrumental system, the theoretically predicted retention times agree well with those experimentally determined.
Asymmetric Reduction of Acetophenone O‐Methyloxime with Reagents Prepared from L‐Proline and Borane
Authors: Ping Du, , Zhen‐Liang Chen, , Lin Wang, , Hui Liu, , Dai‐Mo Chen,
Published: September 2010

Asymmetric reduction of acetophenone O‐methyloxime with reagents in situ prepared from L‐proline and borane has been investigated. A series of conditions optimization were made, including an examination of the effect of the temperature of catalyst pretreatment, the temperature of reduction, the amount of borane, the additive, the solvent, the reducing agent and various chiral auxiliaries on the enantioselectivity. Under the optimal condition, (S)‐α‐phenylethylamine was obtained in 53% yield with 83.1% ee in the presence of 25 mol% L‐proline.
Synthesis of 2‐aminochromene derivatives catalyzed by KF/Al2O3
Authors: Wang Xiang‐Shan , Shi Da‐Qing , Tu Shu‐Jiang
Published: September 2010

A series of 2‐aminochromene derivatives including 2‐amino‐benzo[h] chromene, 2‐amino‐benzo [f] chromene and 2‐aminopyrano [3, 2‐h] quinolin derivatives was synthesized from arylaldehyde, malononitrile or ethyl cyanoacetate and 1‐naphthol or 2‐naphthol or 8‐hydroxyquinoline in refluxing ethyl alcohol catalyzed by KF‐Al2O3. The structures were confirmed by X‐ray analysis.
Structure of tetra[β‐(1,2,4‐triazole‐l‐yl) propiophenone] dichloro nickel(II) solvate hexahydrate complex: [NiCl2(C2H2N3CH2CH2‐COPh)4]·6H2O
Authors: Jian Fang‐Fang , Xiao Hai‐Lian , Yu Bing , Jiao Kni
Published: September 2010

The mononuclear complex, [NiCl2 (trzCH2CH2COPh)4]·6H2O (trz =1,2,4‐triazole), was synthesized and its structure was determined by single crystal X‐ray determination. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters: a = 0.80391(2) nm, b = 1.08215(2) tun, c = 2.90133(2) nm, β = 94.792 (1)° and Z = 2. Each nickel atom is coordinated by four N atoms of triazole from four β‐(1,2,4‐triazole‐1‐yl)propiophenone ligands and two chloride anions in trans arrangement with octahedral coordination geometry. In addition to the coordinating nickel complex, there are six uncoordinated water molecules. The Ni‐Cl distance is 0.24865(8) nm and the Ni‐N distances are in the range of 0.2072(2) to 0.2099(2) nm, respectively. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds. The intermolecular hydrogen bonds connect the [NiCl2(C2H2N3CH2CH2COPh)4] and H2O moieties. The deep green crystals were also examined by elemental analysis, FT‐IR and UV spectra, which are in agreement with the structural data.
Synthesis and crystal structure of a new armed‐tetraazacrown ether and its liquid membrane transport of alkali metal cations
Authors: Ma Shu‐Lan , Zhu Wen‐Xiang , Dong Shu‐Jing , Guo Qian‐Ling , She Yuan‐Bin
Published: September 2010

A new tetra‐N‐substituted tetraazacrown ether derivative, 4,7, 13,16‐tetra (2‐cyanobenzyl)‐1, 10‐dioxa‐4,7,13,16‐tetraazacyclooctadecane, C44H48N8O2, has been synthesized and structurally characterized. It crystallizes in the monoclinic system, space group P21/c with a = 1.1176(3) nm, b =2.1906(7) nm, c = 0.8430(3) nm, V = 2.0132(10) nm3, β = 102.740(5)°, Z =4, Dc = 1.189 g/cm3, final R1, = 0.0460, wR2 = 0.0803. The liquid membrane transports of alkali metal cations using the new macrocycle as the ion‐carrier were also studied. Compared with some macrocyclic ligands, our newly synthesized lig‐and showed a good selectivity ratio for Na+/Li+.
Synthesis, characterization of heterodinuclear Co‐Cu complex and its electrocatalytic activity towards O2 reduction: Implications for cytochrome c oxidase active site modeling
Authors: Lu Wei‐Bing , Wang Cun‐Xin , Zhou Xiao‐Hai , Ren Jian‐Guo
Published: September 2010

A new dinucleating ligand consisting of a tetraphenylporphyrin derivative covalently linked with tris(2‐benzimidazylmethyl)‐amine and its homodinuclear Co‐Co and heterodinuclear Co‐Cu complexes were synthesized and spectroscopically characterized. The heterobimetallic cobalt‐copper complex bearing three benzimidazole ligands for copper, as cytochrome c oxidase active site model, was applied to the surface of glassy carbon electrode to show electrocatalytic activity for O2 reduction in aqueous solution at an acidity level close to physiological pH value. The kinetic parameters of this electrocatalytic process were obtained.
Capillary zone electrophoresis with amperometric detection for composition analysis of laminarin
Authors: Wang Qing‐Jiang , Ding Fei , Li Hui , He Pin‐Gang , Fang Yu‐Zhi
Published: September 2010

The composition of laminarin was firstly determined by analyzing its hydrolysis monosaccharides with capillary zone electrophoresis‐amperometric detection (CZE‐AD). Under the selected optimum conditions, fucose, galactose, glucose, mannose and xylose, which are hydrolysis products of laminarin, could be perfectly separated within 20 min and showed significant current responses at copper electrodes. The linear ranges of fucose, galactose and glucose were from 1.0 ± 10–6 to 2.0 ± 10–4 mol ± L−1, those of mannose and xylose were from 5.0 ± 10–6 to 2.0 ± 10–4 mol ± L−1, and their detection limits were at 10–7mol ± L−1 level (S/N = 3). The molar ratio of fucose, galactose, glucose, mannose and xylose in laminarin was 10.5: 2.8:1.0:7.3: 3.4 and the purity of this polysaccharide leached by the introduced leaching method was 95.7%. Compared to usual UV‐vis and other spectrometric methods, analyzing polysaccharide by this method has some merits of quickness, low‐volume sampling, simple instrumentation, high sensitivity and high reproducibility.
A new synthetic method of highly substituted cyclopentadienes from α, β‐unsaturated alkynones
Authors: Zheng Xing‐Liang , Zhang Yong‐Min
Published: September 2010

Promoted by samarium diiodide in THF, the α, β‐unsaturated alkynones were reduced to afford intermolecular reductive coupling products. The multiply substituted cyclopentadienes were prepared conveniently in good yields.
Salen‐Mn(III)‐complex‐catalyzed oxidations of secondary alcohols
Authors: Sun Wei , Xia Chun‐Gu
Published: September 2010

Secondary alcohols were catalytically oxidized with diacetoxyiodobenzene as oxidant in the presence of salen‐Mn(III) complex to afford the corresponding ketones, in up to 99% yield, using CH2Cl2 or water as reaction media.
Syntheses and crystal structures of lanthanide complexes of new 15‐membered macrocyclic ligands with three pendant acetato groups
Authors: Yao Ying‐Ming , Shen Qi , Wong Wing‐Tak
Published: September 2010

Two new 15‐membered functionalized macrocycles, dioxo‐polyazacycloalkanes with three pendant acetato groups, have been synthesized by the condensation reaction of DTP A dianhydride (DTPA = diethylenetriaminepentaacetic acid) with 1,2‐diaminopropane, (15‐DTPA‐1, 2‐pn), or 1, 2‐diaminocyclohexane, (15‐DTPA‐1,2‐cy). Their lanthanide complexes [Ln(15‐DTPA‐1, 2‐pn) (H2O)]2[Ln = Eu (1), Gd (2)] and [Ln(15‐DTPA‐1,2‐cy)(H2O)]2[Ln = Eu (3), Gd (4)] were also prepared. Single crystal X‐ray diffraction analyses of complexes 2 and 4 show that they have dimeric structures in solid state; each metal ion is nine‐coordinated in a distorted tricapped‐trigonal prism. In complex 4, the coexistence of two diastereoisomeric molecules in the crystal lattice was observed.
Synthesis and photocleaving DNA activity of 4′‐chlorobenzene‐sulfonyl chloride‐pyrrolecarboxamide hybrid compound
Authors: Tang Fei‐Li , Yuan Gu
Published: September 2010

A 4′‐chlorobenzenesulfonyl chloride‐pyrrolecarboxamide hybrid compound was synthesized and its DNA cleaving activity was investigated using a pBluescript SK DNA under UV irradiation. This compound showed potent DNA cleaving activity.
Correlation between molecular structures and relative electrophoretic mobility in capillary electrophoresis: Alkylpyridines
Authors: Yao Xiao‐Jun , Fan Bo‐Tao , Doucet J. P. , Panaye A. , Liu Man‐Cang , Zhang Rui‐Sheng , Hu Zhi‐De
Published: September 2010

The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely related alkylpyridines and their molecular structures was studied by using CODESSA. According to the t‐test on the results, we found that the three most important descriptors affecting the mobility are the relative number of rings (NR), Min e‐n attraction for a C–‐N bond (MEN) and average complementary information index (ACIC). With these structure descriptors a good three‐parameter linear model was developed to correlate the mobility of these compounds with their structures. This model can not only correctly predict the migration behavior of these compounds, but also find the structural factors which are responsible for the migration behavior of these compounds, thus can help to explain the separation mechanism of these compounds. The method used in this work can also be extended to the mobility‐structure relationship research of other compounds.
Molecular simulations using spherical harmonics
Authors: Cai Wen‐Sheng , Xu Jia‐Wei , Shao Xue‐Guang , Maigret Bernard
Published: September 2010

Computer‐aided drug design is to develop a chemical that binds to a target macromolecule known to play a key role in a disease state. In recognition of ligands by their protein receptors, molecular surfaces are often used because they represent the interacting part of molecules and they should reflex the complementarity between ligand and receptor. However, assessing the surface complementarity by searching all relative position of two surfaces is often computationally expensive. The complementarity of lobe‐hole is very important in protein‐ligand interactions. Spherical harmonic models based on expansions of spherical harmonic functions were used as a fingerprint to approximate the binding cavity and the ligand, respectively. This defines a new way to identify the complementarity between lobes and holes. The advantage of this method is that two spherical harmonic surfaces to be compared can be defined separately. This method can be used as a filter to eliminate candidates among a large number of conformations, and it will speed up the docking procedure. Therefore, it is possible to select complementary ligands or complementary conformations of a ligand and the macromolecules, by comparing their fingerprints previously stored in a database.
Automatic structure determination of organic molecules: Principle and implementation of the LSD program
Authors: Nuzillard Jean‐Marc
Published: September 2010

The LSD (Logic for Structure Determination) program generates organic molecular structures from 1D and 2D NMR data without resorting to chemical shift databases. Its use in the resolution of natural product structure determination problems has been already reported in the literature. This paper describes how data and structures are internally represented and processed by LSD to build solution structures.
Isophorone‐based fluorescent dopant for red organic electroluminescence device
Authors: Liu Di , Zhen Chang‐Gua , Hou Yuan‐Jun , Wang Xue‐Song , Zou De‐Chun , Zhang Bao‐Wen , Cao Yi
Published: September 2010

Isophorone‐based red fluorescent compound 3‐(dicyanomethylene)‐5,5‐dimethyl‐1‐[2‐(N‐ethyl‐3‐carbazyl) ethylene]cyclohexene (DCDCC) was synthesized for use in organic light‐emitting diodes (OLEDs). DCDCC was characterized by narrow emission in photoluminescence with full‐width at half‐maximum of only 50 nm in solution and in thin solid film of 70 nm width. Electroluminescence devices with configuration of ITO/NPB/Alq3:DCDCC/Alq3/Mg: Ag were fabricated utilizing DCDCC as dopant emitter. An efficient red emission peaked at 612 nm was obtained for the device with 1% (wt.%) DCDCC in Alq3. The maximum luminance and current efficiency were as high as 3700 cd/m2 at 14 V and 1.25 cd/A at 150 mA/cm2, respectively.
Hydrolysis of cephanone in SDS/n‐C5H11OH/H2O system
Authors: Qian Jun‐Hong , Guo Rong
Published: September 2010

The hydrolysis of cephanone in SDS micelle and SDS/n‐C5H11OH/H2O O/W microemulsion was studied through Uv‐vis absorption spectroscopy. The change of pH value in the hydrolysis of cephanone was determined. The result shows that pH value decreases in the process of the hydrolysis, and that the SDS micelle and SDS/n‐C5H11OH/H2O O/W microemulsion accelerate the hydrolysis of cephanone compared with water.
Phase behavior and dielectric spectroscopy of the sodium dodecyl trioxyethylene sulfate/n‐butanol/water system
Authors: Wei Su‐Xiang , Mu Jian‐Hai , Zhao Kong‐Shuang , Lei Jian‐Ping , Li Gan‐Zuo
Published: September 2010

The phase diagram of the ternary system of sodium dodecyl trioxyethylene sulfate (SDES)/n‐butanol/water is obtained at (30.0 ± 0.1) °C. There exists a clear, isotropic, and low‐viscosity L phase, which could be divided into W/O micelle, bi‐continuous (B. C.) phase and O/W micelle by conductivity measurements. Dielectric Relaxation Spectroscopy (DRS) measurements are applied to investigate microstructure changes of this system. For samples with a fixed weight ratio, SDES/n‐butanol = 3/7, DRS indicates a structure transition from W/O to O/W micelles via B.C. phase with the increase of water content. For the samples with a fixed weight ratio, SDES/H2O = 4/6, DRS can presents that there exist changes of onefold structure size of W/O micelles as n‐butanol content increases. The results obtained from DRS and their analyses are in good agreement with those from phase diagram and conductivity measurements.
Study on pair correlation energies of isoelectronic systems F−, HF and H2F+
Authors: Zhuo Shu‐Ping , Wei Ji‐Chong , Ju Guan‐Zhi
Published: September 2010

The intrapair and interpair correlation energies of F−, HF and H2F+ systems are calculated and analyzed using MP2‐OPT2 method of MELD program with cc‐PVSZ* basis set. From the analysis of pair correlation energies of these isoelectronic systems, it is found that the 1sF2 pair correlation energy is transferable in these three Isoelectronic systems. According to the definition of pair correlation contribution of one electron pair to a system, the pair correlation contribution values of these three systems are calculated. The correlation contribution values of inner electron pairs and H–‐F bonding electron pair in HF molecule with those in H2F+ system are compared. The results indicate that the bonding effect of a molecule is one of the important factors to influence electron correlation energy of the system. The comparison of correlation energy contributions including triple and quadruple excitations with those only including singles and doubles calculated with 6–311 ++ G(d) basis set shows that the higher‐excitation correlation energy contribution gives more than 2% of the total correlation energy for these systems.
Synthesis, crystal structure of ruthenium 1,2‐naphthoquinone‐1‐oxime complex and its mediated CC coupling reactions of terminal alkynes
Authors: Sun Ke , Wong Wing‐Tak , Liu Xiao‐Xia , Zhang Bao‐Yan
Published: September 2010

Substituted decarbonylation reaction of ruthenium 1,2‐naphthoquinone‐1‐oxime (1‐nqo) complex, cis‐, cis‐[Ru| ζ2‐N(O)C10‐H6O|2(CO)2] (1), with acetonitrile gave cis‐, cis‐[Ru | ζ2‐ N(O)C10H6O|2(CO)(NCMe)] (2). Complex 2 was fully characterized by 1H NMR, FAB MS, IR spectra and single crystal X‐ray analysis. Complex 2 maintains the coordination structure of 1 with the two naphthoquinonic oxygen atoms, as well as the two oximato nitrogen atoms located cis to each other, showing that there is no ligand rearrangement of the 1‐nqo ligands during the substitution reaction. The carbonyl group originally trans to the naphthoquinonic oxygen in one 1‐nqo ligand is left in its original position [O(5)‐Ru‐C(1), 174.0(6)°], while the other one originally trans to the oximato group of the other 1‐nqo ligand is substituted by NCMe [N(1)‐Ru‐N(3), 170.6(6)°]. This shows that the carbonyl trans to oximato group is more labile than the one trans to naphthoquinonic O atom towards substitution. This is probably due to the comparatively stronger ± back bonding from ruthenium metal to the carbonyl group trans to naphthoquinonic O atom, than the one trans to oximato group, resulting in the comparatively weaker Ru–‐CO bond for the latter and consequently easier replacement of this carbonyl. Selected coupling of phenylacetylene mediated by 2 gave a single trans‐dimerization product 3, while 2 mediated coupling reaction of methyl propiolate produced three products: one trans‐dimerization product 4 and two cyclotrimeric products 5 and 6.
Study of tea digitized chromatographic fingerprint spectra using micellar electrokinetic chromatography
Authors: Song Guan‐Qun , Lin Jin‐Ming , Qu Feng , Dong Wen‐Ju
Published: September 2010

This paper described the principle of digitized chromatographic fingerprint spectrum and established digitized chromatographic fingerprint spectra of ten brands of Chinese famous tea by the micellar electrokinetic chromatography. This work was done using a 25 mmol ± L−1 sodium dodecylsulfate in a 20 mmol ± L−1 borate (pH 7.0) solution as running buffer, 20 kV applied potential and detection at 280 nm. The chromatographic fingerprint spectra were digitized by the relative retention value (a) and the relative area (Sr), and were analyzed to identify the tea samples. In the absence of the standard samples, the present method was easy setup and inexpensive, and provided the applicable information for the quality assessment of teas.
Investigation of quantitative relationship between adsorbed amount of solute and solvent concentration at relatively high solute concentration by frontal analysis in RPLC
Authors: Wang Yan , Geng Xin‐Du , Zebolsky Don M.
Published: September 2010

In previous paper a new adsorption isotherm which relates the amount of solute absorbed to the solvent concentration is proposed and simplified, and it only can be used at lower solute concentration. In this article the scope of the new adsorption isotherm is extended and the expressions with three and four parameters are obtained. The equations with multi‐parameters are valid when the adsorbed amounts are larger and show nonlinear logarithmic relationships. Tests with a homologue of aromatic alcohols by frontal analysis in reversed phase liquid chromatography demonstrate that the experimental results fit those equations well. In addition, the predicted values by the multiparameters were found to fit the experimental values well also. The parameters have physical meaning only for the two‐parameter equation for the aromatic alcohols.
Amplified DNA detection sensitivity using streptavidin‐biotinylated protein complex: characterization by electrochemical impedance spectroscopy
Authors: Cheng Zhi‐Liang , Yang Fan , Huang Hai‐Zhen , Yang Xiu‐Rong
Published: September 2010

Thiol‐terminated oligonucleotide was immobilized to gold surface by self‐assembly method. A novel amplification strategy was introduced for improving the sensitivity of DNA hybridization using biotin labeled protein‐streptavidin network complex. This complex can be formed in a cross‐linking network of molecules so that the amplification of the response signal will be realized due to the big molecular size of the complex. It could be proved from the impedance technique that this amplification strategy caused dramatic improvement of the detection sensitivity. These results give significant advances in the generality and sensitivity as it is applied to biosensing.
Reaction of imidazole anions with difluorodiiodomethane and their products conversion in sulfinatodehalogenation system
Authors: Xiao Ji‐Chang , Chen Qing‐Yun
Published: September 2010

Treatment of difluorodiiodomethane with TV‐sodium salts of imidazoles at ‐ 15 °C gave N‐difluoroiodomethylated imidazoles (3) in good yields. The addition of 3 to alkyne or alkenes initiated by sodium dithionate at room temperature resulted in the corresponding adducts in high yields.
Enzymatic enantioselective synthesis of (R)‐2‐trimethylsilyl‐2‐hydroxyl‐propionitrile by defatted apple seed meal
Authors: Li Ning , Zong Min‐Hua , Wang Ju‐Fang , Liu Chen , Wu Hong
Published: September 2010

The enantioselective synthesis of (R)‐2‐trimethylsilyl‐2‐hydroxyl‐propionitrile by (R)‐oxynitrilase contained in defatted apple seed meal in a biphasic system was successfully performed. The influences of some factors on the reaction were investigated systematically. Diisopropyl ether was found to be the best for this reaction among all the organic solvents examined. The optimal concentration of defatted apple seed meal, aqueous phase content, concentrations of acetyltrimethylsilane and acetone cyanohydrin, buffer pH, reaction temperature were 4% (W/V), 23% (V/V), 20 mmol ± L−1, 40 mmol ± L−1, pH = 5.0 and 40 °C, respectively, under which the initial reaction rate, substrate conversion and product enantiomeric excess were 9.4 mmol ± L−1 ± h−1, 99% and >99%, respectively.
Asymmetric pinacol coupling of aromatic aldehydes catalyzed by TiCl4(THF)2‐Zn/chiral diamines
Authors: Li You‐Gui , Jiang Chang‐Sheng , Tian Qing‐Shan , Ke Yu‐Ping , You Tian‐Pa
Published: September 2010

Asymmetric pinacol coupling of aromatic aldehydes catalyzed by chiral diamines/low‐valent titanium complexes gave corresponding pinacols in good yields with high diastereoselectivity and moderate enantioselectivities.
A high‐efficiency preparation, properties and structure of (R, S)‐and (S, S)‐pyrrolidine‐2‐carboxylic acid 3,5‐dioxa‐4‐boracyclohepta [2,1‐a; 3,4‐ a′] dinaphthalen‐4‐yl esters
Authors: Shan Zi‐Xing , Liu Si‐Min , Liu De‐Jun
Published: September 2010

A highly‐efficient preparative procedure for (R, S) and (S, S)‐pyrrolidine‐2‐carboxylic acid 3,5‐dioxa‐4‐boracyclohepta[2, 1‐a; 3, 4‐a] dinaphthalen‐4‐yl esters [namely (R, S)‐BNBAP and (S, S)‐BNBAP] is described and the crystal structure of (R, S)‐BNBAP was obtained. The data indicate that (R, S)‐ BNBAP is a spirocyclic inner borate salt with almost normal tetrahedral configuration. This structural form may be the basic reason for their high chemical, optical and thermodynamic stability.
Purification, characterization and 1H NMR resonance assignment of an α‐like neurotoxin BmK 16 from the venom of chinese scorpion Buthus martensii karsch
Authors: Zhang Nai‐Xia , Wu Gong , Wang Zhong‐Hua , Wu Hou‐Ming
Published: September 2010

A natural scorpion toxin BmK 16 was purified for the first time from the venom of the Chinese scorpion Buthus martensii Karsch (BmK) by using combined gel‐filtration, ion exchange and reversed phase chromatography. The sequence of the N‐terminal 8 amino acid residues was determined by Edman degradation. Using the TV‐terminal sequence as a tag, the database searching revealed a hit in the scorpion cDNA Bank. The sequence for N‐terminal 8 amino acid residues, molecular weight and amino acid compositions of BmK 16 were identical with the calculated values according to the first 64 residues′ sequence of the precursor peptide alpha‐neurotoxin TX16 derived from the sequence of the cDNA AF156597 (EMBL). The sequence‐specific resonance assignment of BmK 16 was achieved and the ′intact sequence of BmK 16 was determined as followings: VRDAY IAKPH NCVYE CARNE YCNDL CTKNG AKSGY CQWVG KYGNG CWCKE LPDNV PIRVP GKCH. Furthermore, the results from the sequence homology analysis and the toxicity assays indicated that BmK 16 was an α‐like scorpion neurotoxin.
A new synthetic strategy to prepare a polyphosphazene with charge‐transporting agents and nonlinear optical chromophores as side chains
Authors: Li Zhen , Qin Jin‐Gui , Li Shao‐Jun , Ye Cheng
Published: September 2010

A new strategy, a post coupling method to develop the polyphosphazene (P2) functionalized with carbazolyl groups and nonlinear optical (NLO) chromophores, has been explored. P2 exhibits good solubility in common organic solvents. The poled film of P2 exhibits a resonant d33 value of 42 pm/V by second harmonic generation (SHG) measurements.
Thermochemistry on Coordination Behavior of Praseodymium Chloride Hydrate with Diethylammonium Diethyldithiocarbamate
Authors: Chen San‐Ping , Ren Yi‐Xla , Jiao Bao‐Juan , Gao Sheng‐Li , Zhao Feng‐Qi , Hu Rong‐Zu , Shi Qi‐Zhen
Published: September 2010

The complex of praseodymium chloride lower hydrate with diethylammonium diethyldithiocarbamate (D‐DDC) has been synthesized conveniently in absolute alcohol and dry N2 atmosphere. The title complex was identified as Et2NH2 [Pr‐(S2CNEt2)4] by chemical and elemental analyses, the bonding characteristics of which were characterized by IR spectrum. The enthalpy of solution for praseodymium chloride hydrate and D‐DDC in absolute alcohol at 298.15 K, and the enthalpy changes of liquid‐phase reaction of formation for Et2NH2 [Pr‐(S2CNEt2)4] at different temperatures were determined by microcalorimetry. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the apparent activation energy, the pre‐exponential constant and the reaction order) of liquid phase reaction of formation were obtained. The enthalpy change of the solid‐phase title reaction at 298.15 K was calculated by a thermochemical cycle.
Kinetics of the Exothermic Decomposition Reaction of N‐Methyl‐N‐nitro‐2,2,2‐trinitroethanamine
Authors: Chen San‐Ping , Hu Rong‐Zu , Song Ji‐Rong , Yang De‐Suo , Gao Sheng‐Li , Zhao Hong‐An , Shi Qi‐Zhen
Published: September 2010

The thermal behavior and kinetic parameters of the exothermic decomposition reaction of N‐methyl‐N‐nitro‐2,2,2‐trinitroethanamine in a temperature‐programmed mode have been investigated by means of differential scanning calorimetry (DSC). The kinetic equation of the exothermic decomposition process of the compound is proposed. The values of the apparent activation energy (Ea), pre‐exponential factor (A), entropy of activation (ΔS≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) of this reaction and the critical temperature of thermal explosion of the compound are reported. Information is obtained on the mechanism of the initial stage of the thermal decomposition of the compound.
Synthesis, Characterization and Weak Intramolecular Interactions of Porphyrins Bearing Nucleobases
Authors: Ruan Wen‐Juan , Li Ying , Zhao Xiao‐Jing , Wang Chuan‐Zhong , Zhu Zhi‐Ang , Miao Fang‐Ming
Published: September 2010

5, 10, 15‐Triphenyl‐20‐|2‐[α‐(adenine‐9) acetylamino]| phenyl porphyrin (1), 5,10,15‐triphenyl‐20‐|2‐[α‐(cytosine‐l)acetylamino]| phenyl porphyrin (2), 5, 10, 15‐triphenyl‐20‐|4‐[α‐(cytosine‐1)ethoxy]| phenyl porphyrin (3) and their zinc complexes Zn‐1, Zn‐2 and Zn‐3 have been prepared and characterized by 1H NMR spectra, elemental analyses, electronic absorption spectra and mass spectra (FAB). Intramolecular π‐π interactions and intramolecular metal‐π interaction for 1, 2, Zn‐1, and Zn‐2 have been investigated by several methods. 1H NMR studies demonstrate that the porphyrin π‐system in 1 and 2 is parallel to the adenine and the cytosine aromatic ring, respectively. The electronic absorption spectral properties of free porphyrin derivatives and their zinc complexes have been compared with those of H2TPP and ZnTPP. The results show that the UV‐vis spectra of 1 and 2 are the same as that of H2TPP, whereas the spectra of their zinc complexes show 7 nm red shifts of the Soret bands compared to that of ZnTPP. The emission spectra of Zn‐1 and Zn‐2 are independent of excitation wavelength. From combination of the evidence of absorption and emission spectra it is suggested the existence of intramolecular metal‐π interaction in Zn‐1 and Zn‐2. The results of conformational analysis agreed quite nicely with that of experiments, thus it was further to validate the experimental conclusions.