Search

Drawing upon small gain criteria and robust analysis techniques, lower bounds on the largest allowable time-varying delay are derived with the use of rational approximation functions. These results are computationally efficient and conceptually appealing. Moreover, when specialized to specific situations, the results provide analytical expressions which exhibit explicit dependence of the bounds on the pole and zero and show how fundamentally unstable poles and nonminimum phase zeros may limit the range of delays over which a plant may be stabilized.

2(3),9(10),16(17),23(24)-Tetrakis(dibutylamino)phthalocyanine compounds M{Pc[N(C4H9)2]4} (1-5; M = 2H, Mg, Ni, Cu, Zn) were prepared and characterized by a range of spectroscopic methods in addition to elemental analysis. Electrochemical and electronic absorption spectroscopic studies revealed the more effective conjugation of the nitrogen lone pair of electrons in the dibutylamino side chains with the central phthalocyanine π system in M{Pc[N(C4H9)2]4} than in M{Pc[N(C4H9)2]8}, which, in turn, results in superior third-order nonlinear-optical (NLO) properties of H2{Pc[N(C4H9)2]4} (1) over H2{Pc[N(C4H9)2]8}, as revealed by the obviously larger effective imaginary third-order molecular hyperpolarizability (Im{χ((3))}) of 6.5 × 10(-11) esu for the former species than for the latter one with a value of 3.4 × 10(-11) esu. This is well rationalized on the basis of both structural and theoretical calculation results. The present result seems to represent the first effort toward directly connecting the peripheral functional substituents, electronic structures, and NLO functionality together for phthalocyanine molecular materials, which will be helpful for the development of functional phthalocyanine materials via molecular design and synthesis even through only tuning of the peripheral functional groups.

A series of four porphyrin-alkaline earth metal- organic frameworks [Mg(HDCPP)2 (DMF)2 ]n ⋅(H2 O)7 n (1), [Ca(HDCPP)2 (H2 O)2 ]n (DMF)1.5 n (2), [Sr(DCPP)(H2 O)(DMA)]n (3), and [Ba(DCPP)(H2 O)(DMA)]n (4) was isolated for the first time from solvothermal reaction between metal-free 5,15-di(4- carboxyphenyl)porphyrin (H2 DCPP) and alkaline earth ions. Single-crystal X-ray diffraction analysis reveals the 2D and 3D supramolecular network with periodic nanosized porosity for 1/2 and 3/4, respectively. The whole series of MOFs, in particular, compounds 1 and 2 with intrinsic low molecular formula weight, exhibit superior adsorption performance for methylene blue (MB) with excellent capture capacity as represented by the thus far highest adsorption amount of 952 mg g(-1) for 2 and good selectivity, opening a new way for the potential application of the main group metal-based MOFs.

Density functional theory calculations have been carried out on the subtriazaporphyrin skeletons, an excellent prototype for investigating the dipolar/octupolar contribution to the second-order nonlinear optical (second-order NLO) activity, revealing the size effect and clarifying the nature of the limit when expanding the conjugated system is employed to improve the hyper-Rayleigh scattering response coefficient (β(HRS)). The octupolar and dipolar contributions are theoretically separated, rendering it possible to control the dipolar/octupolar second-order NLO contribution ratio by changing the number and orientation of the peripheral fused benzene moieties. In addition, both the dispersion and solvent effect were also revealed to lead to the enhancement of β(HRS).

Density functional theory method was employed to investigate the electronic properties of two series of subporphyrazine and subphthalocyanine derivatives, namely SubPz, SubPz-1H, SubPz-2H, SubPz-3H, SubPc, SubPc-1H, SubPc-2H, and SubPc-3H. Calculated results show that peripheral hydrogenation essentially changes the delocalized pattern from the common π1414 to limited π1314 or π1214 for SubPz series, and substantially weakens the aromaticity for both SubPz and SubPc compounds. The unordinary delocalized circuit owns an unstable energy level, and thus gives rise to a notable transformation of geometric configuration, frontier molecular orbital topology, and absorption spectral bands.

Density functional theory (DFT) calculation method was employed to investigate a series of nine alkali metal porphyrins (alk-Pors), namely HLiPor , HNaPor , HKPor , Li2Por , LiNaPor , LiKPor , Na2Por , NaKPor , and K2Por . These molecules show different configurations depending on different metal ions which locate over the central hole of the porphyrin ligand. Alk-Pors with larger-radius metal ion have smaller binding energy and thus is more difficult to keep stable. Further detailed molecular stability analysis was carried out by noncovalent interaction and electrostatic interaction via RDG and NBO charge distribution. UV-vis spectra of these nine compounds also show different spectral shapes depending on the central metals, and the dominant state transitions with high degeneracy are revealed to be influenced by high molecular symmetric order. Finally their difference in reactivity due to the electronegativity of central metals and the nature of porphyrin rings are predicted by electrostatic potential and Fukui functions.

A novel bidirectional current ON-OFF switch controlled by electron injection and deprivation was proposed on the basis of the density functional theory (DFT) calculation over a fullerene-phthalocyanine supramolecular system PcCoC(60) for the first time. The electron density for PcCoC(60) was revealed to move from fullerene to phthlocyanine only in the oxidized form and from phthlocyanine to fullerene only in the reduced form, reaching the control of electron movement direction by changing the oxidation state of this supramolecular system.

The infrared spectroscopic data for a series of three 2,3,9,10,16,17,23,24-octakis(hexylsulfonyl)phthalocyanine compounds with eight strong electron-withdrawing hexylsulfonyl groups at the peripheral positions M[Pc(SO 2 C 6 H 13 ) 8 ] [M = 2H ( 1 ), Cu ( 2 ), Zn ( 3 )] have been collected with resolution of 2 cm −1 . The infrared spectra of compounds 1 and 3 have also been calculated at the density functional B3LYP level. Detailed assignments of the vibrational bands in the IR spectra have been achieved through comparison of the experimental and calculated results. The influence of the metalation and the substitution of eight strong electron-withdrawing alkylsulfonyl groups on the IR characteristics of the phthalocyanines has been discussed based on the comparison between corresponding data.

Density functional theory (DFT) calculations have been carried out in order to compare the molecular structures, atomic charges, molecular orbitals, electronic absorption spectra, and infrared (IR) spectra of the metal-free 5,15 -di[4-(5-acetylsulfanylpentyloxy) phenyl]porphyrin H2[DPP(OC5H10SCOCH3)2] (1) (DPP = 5,15-diphenylporphyrin) and its zinc complex Zn[DPP(OC5H10SCOCH3)2] (2), which exhibit novel structures with two 5-acetylsulfanylpentyloxy side chains at the para-positions of opposite meso-attached phenyl groups. The calculated molecular structure and electronic absorption and IR spectra of 1 and 2 are consistent with the experimental results. The influences of meso-substitution, polar solvents, and central metal substitution on the structure and properties of porphyrin derivatives have been investigated by comparing the corresponding data for 1 and 2 with the help of data for the unsubstituted porphyrin derivatives, namely the metal-free porphyrin H2Por (3) and the porphyrinato-zinc compound (4). The identities of the main transitions in the electronic absorption spectra of 1 and 2 are assigned and the vibrational modes in their IR spectra are identified with the assistance of animated pictures produced based on normal coordinates. The theoretical work presented here will be helpful in increasing our understanding of the structure and spectroscopic properties, as well as substituent and solvent effects, for these novel porphyrin compounds.

A whole series of low-symmetry, metal-free tetrapyrrole analogs 1–11 ranging from tetraazaporphyrin H2TAP(tBu)4 to napthalocyanine H2Nc(tBu)4via H2Pc(tBu)4 have been designed and prepared. Their electronic structures have been spectroscopically and electrochemically investigated. Through the preparation of a series of tetrapyrrole compounds with just the same number of four tert-butyl substituents at similar positions of the macrocyclic ring, the effect intrinsic to the enlargement of the ring system has been easily extracted and understood. Along with the increase in the size of central conjugated system, the half-wave potentials of the first oxidation for 1–11 are shifted significantly to the negative direction. This is also true for the half-wave potentials of the first reduction process of this series of tetrapyrrole derivatives but in a slight manner. These results indicate that along with the ring extension, the energy of the HOMO increases significantly while that of the LUMO only slightly increases. The effect of the ring size of these tetrapyrrole compounds on the electronic absorption and fluorescence spectra is also clear: both the Q band and fluorescence shifts to longer wavelength with the increase in the number of fused benzene rings but with a diminishing increase due to the extending of the central conjugated system. These results were reasonably explained by considering the energy levels of frontier molecular orbitals of the series of compounds obtained by the calculations using DFT method at the B3LYP/6-31G(d) level.

Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations were carried out to comparatively study the molecular structures, atomic charges, molecular orbitals, and electronic absorption spectra of fluoroboron-subtriazaporphyrin (SubTAP) and fluoroboron-subphthalocyanine (SubPc) as well as their benzo-fused low-symmetrical derivatives A(a)B(b)C(c) (3or = a, b, cor = 0). The peripherally fused benzene rings are revealed to have a significant effect on the structure and charge density distribution of the inner nitrogen atoms of subtriazaporphyrin core, while the charge of the central fluoroboron group changes very little. The effect of peripherally fused benzene rings on the frontier molecular orbitals of different compounds is comparatively discussed. The nature of the electron excitation between the frontier molecular orbitals of the 20 compounds is assigned according to the calculation results. The benzene rings fused directly onto pyrrole rings have been revealed to show more effect on the inner nitrogen atom than the outer benzene rings fused onto the periphery of isoindole rings. The present work will be helpful toward systematically understanding the effect of ring enlargement through asymmetrically fusing benzene ring(s) onto the subtriazaporphyrin skeleton on the structures and properties of fluoroboron-subtriazaporphyrin and fluoroboron-subphthalocyanine analogues.

A novel tetraazaporphyrinato and phthalocyaninato mixed heteroleptic double-decker sandwich rare-earth compound with photochromic and electrochromic features has been facilely synthesized by one-pot reaction using Eu(acac)3 ·n H2O , metal-free phthalocyanine H2Pc′ ( Pc′ = 2,3,9,10,16,17,23,24-octakis(decyloxy)phthalocyanine), and the photochromic precursor 1,2-dicyano-l,2-bis(2,3,5-trimethyl-3-thienyl)ethane as starting materials. The compound was well characterized by elemental analysis and various spectroscopic methods including UV-vis, IR, 1H NMR, and mass spectroscopies. The electrochemical behavior of this compound was studied by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methods, which showed up to three one-electron oxidation and four one-electron reduction processes, demonstrating an electro-active compound for high-density information storage. The photochromic performance of the compound was detected by electronic absorption spectra, suggesting the compound to be a good candidate for non-destructive readout by means of UV-vis spectroscopy.

The vibrational (IR and Raman) spectra of neutral and reduced mixed (phthalocyaninato)(porphyrinato) yttrium(III) double-decker complexes Y(Pc)(Por) and [Y(Pc)(Por)] − [the simplified models of mixed (phthalocyaninato)(porphyrinato) rare earth(III) complexes] are studied using density functional theory (DFT) calculations. The simulated IR and Raman spectra of Y(Pc)(Por) are compared with the experimental IR spectrum of Tb(Pc)(TClPP) and Raman spectrum of Y(Pc)(TClPP), respectively, and many bands can acceptably fit in spite of the different species. On the basis of comparison with the simulated spectra of PbPc and PbPor together with the assistance of normal coordinate analysis, the calculated frequencies in their IR and Raman spectra are identified in terms of the vibrational mode of different ligand for the first time. The calculated frequency at 1048 cm −1 in the IR spectrum of [Y(Pc)(Por)] − with contribution from both Pc and Por vibrational modes is the characteristic IR vibrational mode of the reduced double-decker, while the characteristic IR vibrational mode of Y(Pc)(Por) attributed from the vibration of phthalocyanine monoanion radical Pc − appears at 1257 cm −1 . In line with our previous experimental findings that the Raman spectra of M(Pc)(TPP) and M(Pc)(TClPP) are dominated by the Pc vibrational modes, theoretical calculations indicate that most of the Raman vibrational modes contributed from Por ring are covered up by those of Pc ring and thus are hard to be recognized in the Raman spectra of [Y(Pc)(Por)] − and Y(Pc)(Por) due to their much weaker intensity in comparison with that of Pc ligand. Comparison in the IR and Raman spectra between [Y(Pc)(Por)] − and Y(Pc)(Por) also suggests the localization of hole on the Pc ring in the neutral double-decker Y(Pc)(Por). The present work, representing the first detailed DFT study on the vibrational spectra of mixed (phthalocyaninato)(porphyrinato) rare earth(III) double-decker complexes, is useful in helping to understand the vibrational spectroscopic properties of this series of mixed tetrapyrrole ring complexes.

The nature of the near-IR band in the electronic absorption spectra of bis(tetrapyrrole) rare earth(III) complexes Y(Pc)2 (1), La(Pc)2 (2), Y(Pc)(Por) (3), Y(Pc)[Pc(α-OCH3)4] (4), Y(Pc)[Pc(α-OCH3)8] (5), and Y(Pc)[Pc(β-OCH3)8] (6) was studied on the basis of time-dependent density functional theory (TD-DFT) calculations. The electronic dipole moment along the z-axis in the electronic transition of the near-IR band in all the studied neutral bis(tetrapyrrole) yttrium(III) and lanthanum(III) double-deckers is well explained on the basis of the composition analysis of the orbitals involved. The electronic transition in the near-IR band causes the reversion of the orbital orientation of one tetrapyrrole ring in both homoleptic and heteroleptic bis(tetrapyrrole) rare earth complexes and induces electron transfer from the tetrapyrrole ring with lower orbital energy to the other ring in the heteroleptic bis(tetrapyrrole) rare earth(III) complexes. The near-IR band can work as an ideal characteristic absorption band to reflect the π–π interaction between the two tetrapyrrole rings in bis(tetrapyrrole) rare earth(III) double-decker complexes because of its peculiar electronic transition nature. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010

Density functional theory (DFT) calculations were carried out to investigate the organic field effect transistor (OFET) performance of the symmetrical metal-free tetrakis (1,2,5-thiadiazole) porphyrazine (S4)PzH2 and tetrakis (1,4-diamyloxybenzene) (A4)PzH2 as well as the low-symmetry metal-free porphyrazine with annulated 1,2,5-thiadiazole and 1,4-diamyloxybenzene groups in the ratio 2:2 (cis) and 1:3, that is, (cis-S2A2)PzH2 and (SA3)PzH2, (S = 1,2,5-thiadiazole ring, A = annulated 1,4-diamyloxy-benzene ring, Pz = porphyrazine) in terms of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy, ionization energy (IE), electron affinity (EA), and their reorganization energy (λ) during the charge-transport process. On the basis of Marcus electron transfer theory, electronic couplings (V) and field effect transistor (FET) properties for the four compounds with known crystal structure have been calculated. The electron transfer mobility (µ−) is revealed to be 0.056 cm2·V−1·s−1 for (S4)PzH2. The hole transfer mobility (µ+) is 0.075, 0.098, and 8.20 cm2·V−1·s−1 for (cis-S2A2)PzH2, (SA3)PzH2, and (A4)PzH2, respectively. The present work represents the theoretical effort towards understanding the OFET properties of symmetrical and unsymmetrical porphyrazine derivatives with annulated 1,2,5-thiadiazole and 1,4-diamyloxybenzene.

A series of structurally closely related phthalocyaninato zinc(II) complexes fused with different number and/or disposition of 15-crown-5 groups at the peripheral positions Zn(Pc') (1-6) [Pc'=Pc, Pc(15C5), Pc(opp-15C5)(2), Pc(adj-15C5)(2), Pc(15C5)(3), Pc(15C5)(4); Pc=unsubstituted phthalocyaninate; Pc(15C5)=2,3-(15-crown-5)phthalocyaninate; Pc(opp-15C5)(2)=2,3,16,17-bis(15-crown-5)phthalocyaninate; Pc(adj-15C5)(2)=2,3,9,10-bis(15-crown-5)phthalocyaninate; Pc(15C5)(3)=2,3,9,10,16,17-tris(15-crown-5)phthalocyaninate; Pc(15C5)(4)=2,3,9,10,16,17,24,25-tetrakis(15-crown-5)phthalocyaninate] have been designed, prepared, and spectroscopically characterized. The effect of number and dispositions of 15-crown-5 moieties on their electronic and vibrational spectroscopic properties was understood by systematic investigation over the electronic absorption, infra-red (IR), and Raman spectra of this series of phthalocyaninato zinc complexes. In addition, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were carried out to comparatively describe the molecular structures, atomic charges, electronic absorption spectra, infrared (IR), and Raman spectra of 1-6, revealing the nature of the main transitions in electronic absorption spectra and identifying the vibration modes in the IR and Raman spectra of the series of six complexes with the assistance of animated pictures produced on the basis of the normal coordinates.

Resurrection plants are tolerant to extreme dehydration and are useful model systems to study genes that play a role in drought tolerance. A gene fragment encoding a dirigent protein that is predicted to function in lignin biosynthesis was identified from leaves of the resurrection plant Boea hygrometrica via cDNA microarray screening. A cDNA, designated BhDIR1 , containing the complete predicted open reading frame, was obtained by 5′-RACE. BhDIR1 transcripts were found to be accumulated in response to changes in plant dehydration status, exogenously applied phytohormones and signaling molecules, and temperature stresses. BhDIR1 encodes a protein of 199 amino acids, which shows 20–40% similarity to dirigent proteins reported from other plants. BhDIR1 is predicted to contain a cleavable signal peptide at the N-terminal, and its plasma membrane/cell wall localization was confirmed using a GFP fusion protein assay. Consistent with this discovery, the acid-soluble lignin content decreased in dehydrated B. hygrometrica leaves . Taken together, our results indicate a protective role for a dirigent protein in response to drought stress by changing the physical characters of lignin which in turn is predicted to affect the mechanical strength and flexibility of the plant cell wall.

Density functional theory calculations were carried out to study the charge transfer properties of bis(phthalocyaninato) yttrium and lanthanum double-decker complexes M(Pc)2 (M = Y, La) for organic field effect transistors. The results indicate that the intrinsic delocalized hole in M(Pc)2 (M = Y, La) induces the high energy level of highest occupied molecular orbital and low energy level of lowest unoccupied molecular orbital in the sandwich double-decker molecules as well as the small ionization potential and large electronic affinity. These factors lead to very small injection barrier relative to Au source-drain electrode of these two double-deckers for both hole and electron and render them as good potential ambipolar semiconductor. Associated with the very small reorganization energy for hole and electron and large transfer integral in crystal, these two complexes M(Pc)2 (M = Y, La) display intrinsic charge transfer mobility of 0.034 and 0.17 cm2 V−1 s−1 for hole and 0.031 and 0.088 cm2 V−1 s−1 for e...

A three-dimensional porous Zn metal-organic framework (UPC-12) with high thermal and chemical stability was isolated in high yield and purity from a hydrothermal reaction. UPC-12 exhibits high selectivity for CO2 due to the formation of hydrogen bonds between CO2 molecules and the -COOH groups exposed inside the channels and the effective π-π interactions between CO2 molecules and the pillared bipyridine moieties of the MOF. The adsorption-desorption process was studied, for the first time, by both (13)C CP-TOSS NMR spectroscopy and in situ DRIFTS.

The eradication rate of Helicobacter pylori is steadily decreasing because of increasing resistance to clarithromycin. According to the new version of Maastricht IV guidelines, molecular tests can be performed as a substitute for bacterial culture and the standard clarithromycin susceptibility test for the detection of H. pylori and clarithromycin resistance directly on gastric biopsy samples.To evaluate the clinical efficacy of H. pylori detection using a molecular test and treatment outcomes of the clarithromycin-based genotypic resistance test.A total of 385 patients diagnosed with functional dyspepsia were recruited in this clinical trial. Total DNA was extracted from formalin-fixed paraffin-embedded samples and prepared for a molecular test and H. pylori detection was performed simultaneously by modified Giemsa staining. Genotypically sensitive patients with positive H. pylori were treated by quadruple therapy: bismuth potassium citrate, rabeprazole, amoxicillin, and clarithromycin (BRAC) and genotypically resistant individuals were treated by bismuth potassium citrate, rabeprazole, amoxicillin, and furazolidone (BRAF) twice daily for 7 consecutive days. The eradication rate of H. pylori was assessed using the C-urea breath test at 6 weeks after treatment.The prevalence of H. pylori infection in functional dyspepsia patients was 35.3% (136/385), 29.1% for women (53/182) and 40.9% for men (83/203). The sensitivities of real-time PCR and histological examinations were 95.6% (130/136) and 69.9% (95/136). Forty-one samples were found to be positive by real-time PCR alone and six by histological examination alone, the majority of which (32/41, 5/6) were identified as grade 1 multiplicity of infection. The overall resistance rate to clarithromycin was 37.7% (49/130): 37.3% (19/51) for women and 38.0% for men (30/79). Eighty-nine patients with positive H. pylori detected by both real-time PCR and histological examinations received quadruple therapies. For the intention-to-treat analysis, the eradication rates of BRAC and BRAF were 98% (52/53) and 92% (33/36), or 100% (52/52) and 94% (33/35) for per-protocol analysis.Real-time PCR is efficacious for H. pylori detection and genotypic resistance-guided quadruple therapy has a high efficacy in treating functional dyspepsia with H. pylori infection.

A hexakis[2,3,9,10,16,17,23,24-octa(butyloxy)phthalocyaninato] samarium(III)-cadmium(II) sextuple-decker complex (Pc*)Sm(Pc*)Cd(Pc*)Cd(Pc*)Cd(Pc*)Sm(Pc*) (1) with six phthalocyanine ligands bridged by two samarium(III) and three cadmium(II) ions, representing the largest stacked tetrapyrrole metal molecule in the sandwich series in terms of the tetrapyrrole-deck number, has been synthesized and characterized spectroscopically and electrochemically. Investigation of the nonlinear optical properties reveals the excellent optical limiting property of this compound.

52 cracks of different length appeared around R corner of counterweight angles were checked in 30 service fighter aircrafts, which affected the completion of the flight training seriously. Based on the parts inspection, strength check and stress of broken components, combined with the results of failure fracture about physicochemical analysis, analyzed cracks on the aileron angle. This paper concluded that the main cause of cracks which is the fatigue source cause of the structure details of the design defects and details of manufacturing defects, and proposed the strengthening scheme about this kind of cracks.

Simple solvent vapor annealing over QLS film-based OFET devices fabricated from (Pc)Eu[Pc(ONh)8]Eu[Pc(ONh)8] led to a high and balanced ambipolar performance., Simple solvent vapor annealing over QLS film-based OFET devices fabricated from (Pc)Eu[Pc(ONh)8]Eu[Pc(ONh)8] led to a high and balanced ambipolar performance that has never been observed for small molecule single-component-based solution processed devices, with mobilities of 1.71 and 1.25 cm2 V–1 s–1 for holes and electrons, respectively, under ambient conditions.

A useful strategy for ratiometric fluorescent detecting of Ag(+) is demonstrated. Upon selective binding of Ag(+) to a BODIPY-porphyrin dyad (1), the synergistic coupling of two functions, namely the suppressing of FRET from BODIPY donor to porphyrin acceptor and the fluorescence quenching of porphyrin acceptor, leads to exceptionally large changes in the intensity ratio of two distinct emissions (F513/F654) which allow for the ratiometric detecting of Ag(+) with excellent sensitivity in solution and living cells.

Reference intervals vary according to gender, age, ethnicity, diet, and other factors. It is therefore recommended that population-specific reference intervals be established. This study investigated reference intervals of blood fat of healthy primary students (8 - 14 years) from Mongolian, Ewenki, and Han ethnicities in Hulun Buir area.Blood samples were collected from 1,723 children aged 8 - 14 years: 805 boys (46%) and 918 girls (54%) were analyzed for cholesterol (TC), triglyceride (TG), high-density lipoprotein cholesterol (HDL-C), low-density lipoprotein cholesterol (LDL-C), apolipoprotein A1 (APOAI), and apolipoprotein B (APOB) levels. TC and LDL-C 90 and 75 percentiles were considered as the critical high lipoprotein level and the lipoprotein concentration standard, TG 90 percentiles as high blood triglycerides concentrations, 5 percentiles as HDL-C reference range lower level and 95 percentiles as reference range of APOAI and APOB, the normal lipid reference interval for three ethnic groups of pupils were set up.There were significant differences between Han and other ethnicities with respect to TC, TG, HDL-C, APOAI, APOB (p0.01), but not LDL-C (p0.05). There were significant differences in Mongolian and Ewenki ethnicities with respect to LDL-C, HDL-C, APOAI and APOB (p0.01), but not TC, TG (p0.05). There was significant difference between boys and girls of Han and Mongolian ethnicities in TG, HDL-C, LDL-C, APOAI, APOB lipid levels (p0.01); and there was significant difference between boys and girls of Ewenki ethnicity with respect to TG, HDL-C, APOAI, APOB lipid levels (p0.01).Reference intervals of serum lipid parameters blood fat for healthy Mongolian, Ewenki, and Han ethnicities of primary students in Hulun Buir are presented, which provide an important update for lipid markers and suggest earlier incidence of hypercholesterolemia when comparing to previous ranges.

Two new chiral sandwich-type bis(phthalocyaninato) yttrium double-decker complexes including the homoleptic species (R)- and (S)-Y[Pc(OBNP)4]2 (1) and a heteroleptic analogue (R)- and (S)-Y(Pc)[Pc(OBNP)4] (2) {Pc = unsubstituted phthalocyaninate; [Pc(OBNP)4] = tetrakis(dinaphtho[1,2-e:1′,2′-g]-1,4-(dioxocine)[2,3-b;2′,3′-k;2′′,3′′-t;2′′′,3′′′-c′]phthalocyaninate)} have been synthesized and spectroscopically characterized. In particular, the molecular structures of (R)- and (S)-1 were determined on the basis of single crystal X-ray diffraction analysis, representing the first structurally characterized chiral bis(phthalocyaninato) rare earth double-decker complexes. Perfect mirror-image CD signals observed in the whole phthalocyanine absorption range of the CD spectra of the (R)- and (S)-enantiomers for both compounds reveal the effective chiral information transfer from the peripheral binaphthyl moieties to the phthalocyanine chromophore, while the difference observed in the CD spectrum between 1 and 2 indicates the effect of the chiral substituent number on the chiral information transfer. Nevertheless, the absolute structures unambiguously elucidated for both enantiomers of the homoleptic double-decker render it possible to clarify the chirality of optically active bis(phthalocyaninato) rare earth compounds.

Cooperation is the name of the game: The first example of a chiral phthalocyanine dimer with well-defined supramolecular weight and symmetry formed through cooperative multiple π-π interactions among nine pairs of aromatic moieties between two chiral phthalocyaninato zinc molecules has been clarified (see figure).

To achieve full solar spectrum absorption of organic dyes for organic solar cells and organic solar antenna collectors, a series of tetra(azulene)porphyrin derivatives including H 2 (TAzP), H 2 (α-F 4 TAzP), H 2 (β-F 4 TAzP), H 2 (γ-F 4 TAzP), H 2 (δ-F 4 TAzP), H 2 (ɛ-F 4 TAzP), H 2 (ζ-F 4 TAzP), H 2 [α-(NH 2 ) 4 TAzP], H 2 [β-(NH 2 ) 4 TAzP], H 2 [γ-(NH 2 ) 4 TAzP], H 2 [δ-(NH 2 ) 4 TAzP], H 2 [ɛ-(NH 2 ) 4 TAzP], and H 2 [ζ-(NH 2 ) 4 TAzP] were designed and their electronic absorption spectra were systematically studied on the basis of TDDFT calculations. The nature of the broad and intense electronic absorptions of H 2 (TAzP) in the range of 500–1450 nm is clearly revealed. In addition, different types of π → π* electronic transitions associated with different absorption bands are revealed to correspond to different electron density moving direction between peripherally-fused ten electron-π-conjugated azulene units and the central eighteen electron-π-conjugated porphyrin core. Introduction of electron-donating groups onto the periphery of H 2 (TAzP) macrocycle is revealed to be able to lead to novel NIR dyes such as H 2 [α-(NH 2 ) 4 TAzP] and H 2 [ɛ-(NH 2 ) 4 TAzP] with regulated UV–Vis–NIR absorption bands covering the full solar spectrum in the range of 300–2500 nm. In addition, the basic designing rules for panchromatic organic functional molecules based on tetrapyrrole derivatives are proposed together with the suggestions in experiments, including low molecular symmetry and narrow gap between HOMO and LUMO/LUMO+1, which will be helpful toward the design and synthesis of new panchromatic organic functional molecules.

A new rapid premixed pre-evaporation model nozzle is designed in this paper. The nozzle performances such as mixed effect, average evaporation time of droplet and total pressure loss, heat and mass transfer, and flameless combustion characteristics etc. are CFD numerical predicted. The results provide some references for the new premixed flameless combustion mode.