Electrode stabilizing materials

Science.gov (United States)

Amine, Khalil; Abouimrane, Ali; Moore, Jeffrey S.; Odom, Susan A.

2015-11-03

An electrolyte includes a polar aprotic solvent; an alkali metal salt; and an electrode stabilizing compound that is a monomer, which when polymerized forms an electrically conductive polymer. The electrode stabilizing compound is a thiophene, a imidazole, a anilines, a benzene, a azulene, a carbazole, or a thiol. Electrochemical devices may incorporate such electrolytes.

Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1978-1979

International Nuclear Information System (INIS)

McGlynn, S.P.

1979-01-01

Work in progress includes: analyzing the lowest-energy Rydberg transitions of the alkyl halides; decomposition of a spectroscopic signal S into a system of bands; luminescence of aqueous systems; a study of the effects of small molecules on hydrogen bonding via glass transitions in ethanol; Rydberg/intravalence mixing in the S 2 state of azulene; ultraviolet photoelectron spectroscopy of carbonyls; and multi-photon processes

Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1978-1979

Energy Technology Data Exchange (ETDEWEB)

McGlynn, S.P.

1979-08-07

Work in progress includes: analyzing the lowest-energy Rydberg transitions of the alkyl halides; decomposition of a spectroscopic signal S into a system of bands; luminescence of aqueous systems; a study of the effects of small molecules on hydrogen bonding via glass transitions in ethanol; Rydberg/intravalence mixing in the S/sub 2/ state of azulene; ultraviolet photoelectron spectroscopy of carbonyls; and multi-photon processes.

A facile synthesis of sodium 3-[1-[sup 14]C]-ethyl-7-isopropyl-1-azulenesulfonate

Energy Technology Data Exchange (ETDEWEB)

Shimada, Takeshi; Yanagisawa, Takashi; Tomiyama, Tsuyoshi [Kotobuki Pharmaceutical Co. Ltd., Nagano (Japan). Research Labs.; Okazaki, Mitsuo [Shinshu Univ., Nagano (Japan). Dept. of Applied Biology

1994-01-01

Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate 1, a new therapeutic agent for stomatitis, pharyngitis and ophthalmia was labelled with carbon-14 in the ethyl group attached to the azulene ring for use in metabolic studies. [sup 14]C-labelled 1 with a specific activity of 1.98 GBq/mmol was prepared in four steps in 39.3% overall chemical yield from [1-[sup 14]C]acetic acid sodium salt. (Author).

Synthesis and two-electron redox behavior of diazuleno[2,1-a:1,2-c]naphthalenes.

Science.gov (United States)

Ito, Shunji; Nomura, Akiko; Morita, Noboru; Kabuto, Chizuko; Kobayashi, Hirokazu; Maejima, Seiko; Fujimori, Kunihide; Yasunami, Masafumi

2002-10-18

The Diels-Alder reaction of di-2-azulenylacetylene with tetraphenylcyclopentadienone afforded 7,8,9,10-tetraphenyldiazuleno[2,1-a:1,2-c]naphthalene in one pot via autoxidation of the presumed 1,2-di-2-azulenylbenzene derivative. In contrast, a similar reaction of bis(1-methoxycarbonyl-2-azulenyl)acetylene with tetraphenylcyclopentadienone gave the 1,2-di-2-azulenylbenzene derivative. The following cyclodehydrogenation reaction of the benzene derivative with iron(III) chloride afforded diazuleno[2,1-a:1,2-c]naphthalene 6,11-bismethoxycarbonyl derivative. The redox behavior of these novel diazuleno[2,1-a:1,2-c]naphthalenes was examined by cyclic voltammetry (CV). These compounds exhibited two-step oxidation waves at +0.22 to +0.71 V upon CV, which revealed the formation of a radical cation and dication stabilized by the fused two azulene rings under the electrochemical oxidation conditions. Since the 1,2-di-2-azulenylbenzene derivative was oxidized at higher oxidation potentials (+0.83 and +1.86 V), the fusion of the two azulene rings to naphthalene increased electron-donating properties because of the formation of a closed-shell dicationic structure. Formation of the radical cation was characterized by UV-vis spectroscopy under the electrochemical oxidation conditions, although no evidence was obtained for the presumed dication under the conditions of the UV-vis spectroscopy measurement.

Energy transfer properties and mechanisms

International Nuclear Information System (INIS)

Barker, J.R.

1993-01-01

Since no single experimental technique is the best method for energy transfer experiments, we have used both time-dependent infrared fluorescence (IRF) and time-dependent thermal lensing (TDTL) to study energy transfer in various systems. We are investigating pump-probe techniques employing resonance enhanced multiphoton ionization (REMPI). IRF was used to study benzene, azulene, and toluene. TDTL was used to study CS 2 and SO 2 (data not given for latter). Large molecule energy transfer mechanisms are discussed. 10 figs

Anticholinesterase activity of the fluorescent zoanthid pigment, parazoanthoxanthin A.

Science.gov (United States)

Sepcić, K; Turk, T; Macek, P

1998-06-01

A synthetic linear tetrazacyclopent(f)azulene compound, parazoanthoxanthin A (m.w. 214.2), strongly fluorescent pigment occurring in zoanthids, was characterized and assayed for anticholinesterase activity. The pigment, emitting fluorescence at lambda(em) 420 nm, was found to be a pure competitive inhibitor of cholinesterases. At pH 8.0, a Ki value of 19 and 26 microM was determined with insect recombinant, and electric eel acetylcholinesterase. Horse serum butyrylcholinesterase was less sensitive with a Ki of 70 microM.

Study of molecular movements in some organic crystals by NMR

International Nuclear Information System (INIS)

Alexandre, M.

1971-01-01

After a discussion on molecular crystals (generalities, movements within molecular solids, study of movements, complexes by charge transfer) and some specific ones (molecular complexes of trinitrobenzene or TNB), this research thesis reports the use of nuclear magnetic resonance (NMR) to study molecular movements: generalities on broadband NMR, spin relaxation and strong field network, observation of the absorption signal and measurement of the second moment. The last part reports and discusses experimental results obtained on TNB-naphthalene, on TNB-azulene, on TNB-benzothiophene, and on TNB-indole

Study of reduction methods for irradiation on oral mucositis. The examination of reduction methods for mucosal failure

International Nuclear Information System (INIS)

Tonogi, Morio; Yamane, Genyuki; Aoyagi, Yutaka; Hasegawa, Azusa; Mizoe, Junetsu; Tsujii, Hirohiko

2004-01-01

Reduction methods for irradiation on oral mucosa examined concerning in acute phase of the carbon ion radiotherapy for head and neck malignancies. We enforced a mechanical teeth and gingival cleaning as an Oral hearth care and gargled a polaprezinc with sodium alginate, and azulene- lidocaine with glycerin sodium as a oral linces before radiation. The response of the mucosal failure was reduced compare with no care group. In this Result, we considered that oral hearth care for prevention of infection, and mucosa protection by the drug was important factor. (author)

On-line database of the spectral properties of polycyclic aromatic hydrocarbons

International Nuclear Information System (INIS)

Malloci, Giuliano; Joblin, Christine; Mulas, Giacomo

2007-01-01

We present an on-line database of computed molecular properties for a large sample of polycyclic aromatic hydrocarbons in four charge states: -1, 0, +1, and +2. At present our database includes 40 molecules ranging in size from naphthalene and azulene (C 10 H 8 ) up to circumovalene (C 66 H 20 ). We performed our calculations in the framework of the density functional theory (DFT) and the time-dependent DFT to obtain the most relevant molecular parameters needed for astrophysical applications. For each molecule in the sample, our database presents in a uniform way the energetic, rotational, vibrational, and electronic properties. It is freely accessible on the web at (http://astrochemistry.ca.astro.it/database/) and (http://www.cesr.fr/~joblin/database/)

Isolation and Antifouling Activity of Azulene Derivatives from the Antarctic Gorgonian Acanthogorgia laxa.

Science.gov (United States)

Patiño Cano, Laura P; Quintana Manfredi, Rodrigo; Pérez, Miriam; García, Mónica; Blustein, Guillermo; Cordeiro, Ralf; Pérez, Carlos D; Schejter, Laura; Palermo, Jorge A

2018-01-01

Three azulenoid sesquiterpenes (1 - 3) were isolated from the Antarctic gorgonian Acanthogorgia laxa collected by bottom trawls at -343 m. Besides linderazulene (1), and the known ketolactone 2, a new brominated C 16 linderazulene derivative (3) was also identified. This compound has an extra carbon atom at C(7) of the linderazulene framework. The antifouling activity of compounds 1 and 2 was assayed in the laboratory with Artemia salina larvae, and also in field tests, by incorporation in soluble-matrix experimental antifouling paints. The results obtained after a 45 days field trial of the paints, showed that compounds 1 and 2 displayed good antifouling potencies against a wide array of organisms. Compound 3, a benzylic bromide, was unstable and for this reason was not submitted to bioassays. Two known cembranolides: pukalide and epoxypukalide, were also identified as minor components of the extract. © 2018 Wiley-VHCA AG, Zurich, Switzerland.

Three Novel Alkaloids from Portulaca oleracea L. and Their Anti-inflammatory Effects.

Science.gov (United States)

Li, Cui-Yu; Meng, Yi-Han; Ying, Zhe-Ming; Xu, Nan; Hao, Dong; Gao, Ming-Zhe; Zhang, Wen-Jie; Xu, Liang; Gao, Yu-Cong; Ying, Xi-Xiang

2016-07-27

Three novel carbon skeleton alkaloids, named oleracimine (1), oleracimine A (2), and oleracone A (3), with one novel azulene carbon skeleton compound, oleracone B (4), and one known compound, β-carboline (5), were first isolated from Portulaca oleracea L. The structures were determined using spectroscopic methods, including one- and two-dimensional nuclear magnetic resonance and high-resolution electrospray ionization time-of-flight mass spectrometry techniques. In addition, oleracimine (1) was used to investigate the anti-inflammatory effects on lipopolysaccharide-stimulated macrophages. The results of enzyme-linked immunosorbent assay, western blot, and real-time polymerase chain reaction showed that oleracimine (1) remarkably inhibited nitric oxide production and could dose-dependently decrease the secretions of interleukin 6, tumor necrosis factor α, nitric oxide, and prostaglandin E2 in cell culture supernatants as well as the mRNA of cyclooxygenase-2 and inducible nitric oxide synthase.

Palladium-mediated strategies for functionalizing the dihydroazulene photoswitch: paving the way for its exploitation in molecular electronics.

Science.gov (United States)

Jevric, Martyn; Broman, Søren Lindbæk; Nielsen, Mogens Brøndsted

2013-05-03

The dihydroazulene (DHA)/vinylheptafulvene (VHF) photo/thermoswitch has attracted interest as a molecular switch for advanced materials and molecular electronics. We report here two synthetic approaches using palladium catalysis for synthesizing dihydroazulene (DHA) photoswitches with thioacetate anchoring groups intended for molecular electronics applications. The first methodology involves a Suzuki coupling using tert-butyl thioether protecting groups. Conversion to the thioacetate using boron tribromide/acetyl chloride results in the formation of the product as a mixture of regioisomers mediated by a ring-opening reaction. The second approach circumvents isomerization by the synthesis of stannanes as intermediates and their use in a Stille coupling. Although fully unsaturated azulenes are formed as byproducts during the synthesis of the DHA stannanes, this approach allowed the regioselective incorporation of the thioacetate anchoring group in either one of the two ends (positions 2 or 7) or at both.

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

International Nuclear Information System (INIS)

Chiappe, G; Louis, E; San-Fabián, E; Vergés, J A

2015-01-01

performance of CI will be checked on small molecules. The electronic structure of azulene and fused azulene will be used to illustrate several aspects of the method. As regards graphene, several questions will be considered: (i) paramagnetic versus antiferromagnetic solutions, (ii) forbidden gap versus dot size, (iii) graphene nano-ribbons, and (iv) optical properties. (topical review)

Rational Design of a Green-Light-Mediated Unimolecular Platform for Fast Switchable Acidic Sensing.

Science.gov (United States)

Zhou, Yunyun; Zou, Qi; Qiu, Jing; Wang, Linjun; Zhu, Liangliang

2018-02-01

A controllable sensing ability strongly connects to complex and precise events in diagnosis and treatment. However, imposing visible light into the molecular-scale mediation of sensing processes is restricted by the lack of structural relevance. To address this critical challenge, we present the rational design, synthesis, and in vitro studies of a novel cyanostyryl-modified azulene system for green-light-mediated fast switchable acidic sensing. The advantageous features of the design include a highly efficient green-light-driven Z/E-isomerization (a quantum yield up to 61.3%) for fast erasing chromatic and luminescent expressions and a superior compatibility with control of ratiometric protonation. Significantly, these merits of the design enable the development of a microfluidic system to perform a green-light-mediated reusable sensing function toward a gastric acid analyte in a miniaturized platform. The results may provide new insights for building future integrated green materials.

Electronic relaxation processes in polyatomic molecules. Progress report, October 1, 1975--September 30, 1976

International Nuclear Information System (INIS)

Lim, E.C.

1976-09-01

Excitation energy dependence of radiationless decay rate under collision-free conditions was utilized as a probe of intramolecular vibrational relaxation in tetracene and pentacene. The results give evidence of vibrational relaxation which competes with electronic relaxation. The substitution dependence of T 1 (nπ*) → S 0 radiationless transition in monocyclic diazines and the temperature dependence of S 1 non-radiative decay rate in alcoholic solutions of polycyclic monoazines indicate that the vibronic interaction between the lowest energy nπ* and ππ* states leads to a rapid radiationless deactivation of the lower of the two electronic states. Finally, a photon-counting spectrofluorometer of very high sensitivity was constructed, and it was used to record T 2 → T 1 fluorescence in bromoanthracenes and S 2 → S 1 fluorescence in azulene. These spectra represent the first bona-fide, or the most convincing, observation of fluorescence between excited electronic states

Low-intensity laser coupled with photosensitizer to reduce bacteria in root canals compared to chemical control; Laser em baixa intensidade associado a fotosensibilizador para reducao bacteriana intracanal comparado ao controle quimico

Energy Technology Data Exchange (ETDEWEB)

Garcez Segundo, Aguinaldo Silva

2002-07-01

The photodynamic therapy is a process in which a dye is associate with an appropriate wavelength of light and this dye goes to an excited state. The excited reacts with oxygen to form the highly reactive compound singlet oxygen, and this compound can kill bacteria and tumor cells. The purpose of this study was to evaluate the bactericidal reduction in root canal contaminated with E. Faecalis. Thirty teeth with their root canals prepared were contaminated with E. faecalis. The teeth have received the chemical substance sodium hypochlorite for 30 minutes; ten teeth have received the azulene dye paste for 5 minutes and have been irradiated with a diode laser, output power 10 mW and {lambda}= 685 nm for 3 minutes. Ten teeth have not received treatment (control group). The bacterial reduction was significantly higher for laser group when compared to chemical and control groups. These results indicate photodynamic therapy as an effective method to kill bacteria. (author)

Low-intensity laser coupled with photosensitizer to reduce bacteria in root canals compared to chemical control

International Nuclear Information System (INIS)

Garcez Segundo, Aguinaldo Silva

2002-01-01

The photodynamic therapy is a process in which a dye is associate with an appropriate wavelength of light and this dye goes to an excited state. The excited reacts with oxygen to form the highly reactive compound singlet oxygen, and this compound can kill bacteria and tumor cells. The purpose of this study was to evaluate the bactericidal reduction in root canal contaminated with E. Faecalis. Thirty teeth with their root canals prepared were contaminated with E. faecalis. The teeth have received the chemical substance sodium hypochlorite for 30 minutes; ten teeth have received the azulene dye paste for 5 minutes and have been irradiated with a diode laser, output power 10 mW and λ= 685 nm for 3 minutes. Ten teeth have not received treatment (control group). The bacterial reduction was significantly higher for laser group when compared to chemical and control groups. These results indicate photodynamic therapy as an effective method to kill bacteria. (author)

Photophysics of the excited uranyl ion in aqueous solutions

International Nuclear Information System (INIS)

Formosinho, S.J.; Miguel, M. da G.M.

1985-01-01

The effect of the micelles of Triton X-100 on the biexponential decay of (UO 2 2+ )* has been investigated. Data are analysed in terms of a reversible crossing mechanism for the decay. Azulene fluorescence quenching and 13 C n.m.r. studies strongly suggest that uranyl ions are able to penetrate deep inside the micelle core. Micelle quenching for the reversible decay of (UO 2 2+ )* occurs in the interior (ksub(q) = 3 x 10 10 dm 3 mol -1 s -1 ) and at the surface (Ksub(q) = 1.5 x 10 9 mol -1 dm 3 s -1 ) of the micelles. The latter process has a rate virtually identical to that for the free surfactant molecules. Penetration of (UO 2 2+ )* inside the non-polar regions of the micelle core increases solvent exchange rates by ca. two orders of magnitude. Uranyl-ion excimers are formed in occupied micelles. The quenching processes decrease strongly for these species because excimers do not penetrate the micelles. (author)

Microplasma discharge vacuum ultraviolet photoionization source for atmospheric pressure ionization mass spectrometry.

Science.gov (United States)

Symonds, Joshua M; Gann, Reuben N; Fernández, Facundo M; Orlando, Thomas M

2014-09-01

In this paper, we demonstrate the first use of an atmospheric pressure microplasma-based vacuum ultraviolet (VUV) photoionization source in atmospheric pressure mass spectrometry applications. The device is a robust, easy-to-operate microhollow cathode discharge (MHCD) that enables generation of VUV photons from Ne and Ne/H(2) gas mixtures. Photons were detected by excitation of a microchannel plate detector and by analysis of diagnostic sample ions using a mass spectrometer. Reactive ions, charged particles, and metastables produced in the discharge were blocked from entering the ionization region by means of a lithium fluoride window, and photoionization was performed in a nitrogen-purged environment. By reducing the output pressure of the MHCD, we observed heightened production of higher-energy photons, making the photoionization source more effective. The initial performance of the MHCD VUV source has been evaluated by ionizing model analytes such as acetone, azulene, benzene, dimethylaniline, and glycine, which were introduced in solid or liquid phase. These molecules represent species with both high and low proton affinities, and ionization energies ranging from 7.12 to 9.7 eV.

Towards Designing Environmentally Stable Conjugated Polymers with very Small Band-Gaps

International Nuclear Information System (INIS)

Hong, Sung Y.; Kim, Sung C.

2003-01-01

We have investigated substituent effect on the stabilization energies, and nucleus-independent chemical shifts of pentafulvalenes and on the electronic structures of the corresponding polypentafulvalenes to design environmentally stable semiconductive or conductive polymers. Geometrical optimizations of the molecules were carried out at the density functional level of theory with B3LYP hybrid functional and 6-311+G(d) basis set. Stabilization energies were estimated using isodesmic and homodesmotic reactions. As a criterion of aromaticity nucleus-independent chemical shifts of the molecules were computed using GIAO approach. For the polymers the geometrical parameters were optimized through AM1 band calculations and the electronic structures were obtained through modified extended Huckel band calculations. It is found that strong electronwithdrawing substituents increase isodesmic and homodesmotic stabilization energies of pentafulvalene, though it does not increase the aromaticity. Nitro-substituted pentafulvalene is estimated to have stabilization energy as much as azulene. However, substitution either with electron-donating groups or with electronwithdrawing groups does not significantly affect the electronic structures of polypentafulvalene and poly (vinylenedioxypentafulvalene)

A Novel Combination of Surfactant Addition and Persulfate-assisted Electrokinetic Oxidation for Remediation of Pyrene-Contaminated Soil

Directory of Open Access Journals (Sweden)

M. Abtahi

2018-03-01

Full Text Available Effect of surfactant addition on persulfate-assisted electrokinetic remediation of pyrene-spiked soil was studied. The influence of effective factors including voltage, surfactant addition, moisture content, and persulfate concentration on the removal of initial pyrene concentration of 200 mg kg–1 were investigated. A complete pyrene removal was observed for voltage of 1 V cm–1, saturated conditions, Tween 80 concentration of 20 mL kg–1, and persulfate concentration of 100 mg kg–1 after 24 h, corresponding to pyrene mineralization of 61 %, based on TPH analysis. The experimental results were best fitted with pseudo-first-order kinetic model with correlation coefficient of 0.968 and rate constant of 0.191 min−1. The main intermediates of pyrene degradation were benzene o-toluic acid, acetic, azulene, naphthalene and decanoic acid. Finally, an unwashed hydrocarbon-contaminated soil was subjected to persulfate-assisted electrokinetic remediation, and a TPH removal of 38 % was observed for the initial TPH content of 912 mg kg–1, under the selected conditions.

Biosynthetically Guided Structure-Activity Relationship Studies of Merochlorin A, an Antibiotic Marine Natural Product.

Science.gov (United States)

López-Pérez, Borja; Pepper, Henry P; Ma, Rong; Fawcett, Benjamin J; Pehere, Ashok D; Wei, Qi; Ji, Zengchun; Polyak, Steven W; Dai, Huanqin; Song, Fuhang; Abell, Andrew D; Zhang, Lixin; George, Jonathan H

2017-12-07

The onset of new multidrug-resistant strains of bacteria demands continuous development of antibacterial agents with new chemical scaffolds and mechanisms of action. We present the first structure-activity relationship (SAR) study of 16 derivatives of a structurally novel antibiotic merochlorin A that were designed using a biosynthetic blueprint. Our lead compounds are active against several Gram-positive bacteria such as Staphylococcus aureus (SA), methicillin-resistant Staphylococcus aureus (MRSA), vancomycin-resistant Enterococcus faecium (VRE) and Bacillus subtilis, inhibit intracellular growth of Mycobacterium bovis, and are relatively nontoxic to human cell lines. Furthermore, derivative 12 c {(±)-(3aR,4S,5R,10bS)-5-bromo-7,9-dimethoxy-4-methyl-4-(4-methylpent-3-en-1-yl)-2-(propan-2-ylidene)-1,2,3,3a,4,5-hexahydro-6H-5,10b-methanobenzo[e]azulene-6,11-dione} was found to inhibit the growth of Bacillus Calmette-Guérin (BCG)-infected cells at concentrations similar to rifampicin. These results outperform the natural product, underscoring the potential of merochlorin analogues as a new class of antibiotics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

Science.gov (United States)

Vanicek, Jiri

2014-03-01

Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

Prospects of luminescence based molecular scale logic gates and logic circuits

International Nuclear Information System (INIS)

Speiser, Shammai

2016-01-01

In recent years molecular electronics has emerged as a rapidly growing research field. The aim of this review is to introduce this subject as a whole with special emphasis on molecular scale potential devices and applications. As a particular example we will discuss all optical molecular scale logic gates and logic circuits based on molecular fluorescence and electronic excitation transfer processes. Charge and electronic energy transfers (ET and EET) are well-studied examples whereby different molecules can signal their state from one (the donor, D) to the other (the acceptor, A). We show how a half-adder logic circuit can be implemented on one molecule that can communicate its logic output as input to another half-adder molecule. This is achieved as an electronic energy transfer from a donor to an acceptor, thus implementing a molecular full adder. We discuss a specific pair, the rhodamine–azulene, for which there is considerable spectroscopic data, but the scheme is general enough to allow a wide choice of D and A pairs. We present results based on this pair, in which, for the first time, an all optical half-adder and full-adder logic circuits are implemented. - Highlights: • Molecular scale logic • Photoquenching • Full adder

Prospects of luminescence based molecular scale logic gates and logic circuits

Energy Technology Data Exchange (ETDEWEB)

Speiser, Shammai, E-mail: speiser@technion.ac.il

2016-01-15

In recent years molecular electronics has emerged as a rapidly growing research field. The aim of this review is to introduce this subject as a whole with special emphasis on molecular scale potential devices and applications. As a particular example we will discuss all optical molecular scale logic gates and logic circuits based on molecular fluorescence and electronic excitation transfer processes. Charge and electronic energy transfers (ET and EET) are well-studied examples whereby different molecules can signal their state from one (the donor, D) to the other (the acceptor, A). We show how a half-adder logic circuit can be implemented on one molecule that can communicate its logic output as input to another half-adder molecule. This is achieved as an electronic energy transfer from a donor to an acceptor, thus implementing a molecular full adder. We discuss a specific pair, the rhodamine–azulene, for which there is considerable spectroscopic data, but the scheme is general enough to allow a wide choice of D and A pairs. We present results based on this pair, in which, for the first time, an all optical half-adder and full-adder logic circuits are implemented. - Highlights: • Molecular scale logic • Photoquenching • Full adder.

The Composition of Cigarette Smoke. An Historical Perspective of Several Polycyclic Aromatic Hydrocarbons

Directory of Open Access Journals (Sweden)

Rodgman A

2014-12-01

Full Text Available Because of the significant advancements in fractionation, analytical, and characterization technologies since the early 1960s, hundreds of components of complex mixtures have been accurately characterized without the necessity of actually isolating the individual component. This has been particularly true in the case of the complex mixtures tobacco and tobacco smoke. Herein, an historical account of a mid-1950 situation concerning polycyclic aromatic hydrocarbons (PAHs in cigarette smoke is presented. While the number of PAHs identified in tobacco smoke has escalated from the initial PAH, azulene, identified in 1947 to almost 100 PAHs identified by late 1963 to more than 500 PAHs identified by the late 1970s, the number of PAHs isolated individually and characterized by several of the so-called classical chemical means (melting point, mixture melting point, derivative preparation and properties in the mid-1950s and since is relatively few, 14 in all. They were among 44 PAHs identified in cigarette mainstream smoke and included the following PAHs ranging from bicyclic to pentacyclic: Acenaphthylene, 1,2-dihydroacenaphthylene, anthracene, benz[a]anthracene, benzo[a]pyrene, chrysene, dibenz[a, h]anthracene, fluoranthene, 9H-fluorene, naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, phenanthrene, and pyrene. One of them, benzo[a]pyrene, was similarly characterized in another study in 1959 by Hoffmann.

Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1979-1980

International Nuclear Information System (INIS)

McGlynn, S.P.

1980-01-01

All projects listed in this report have been submitted for publication as journal articles or DOE reports. Projects include: McGlynn, S.P., Felps, W.S. and Scott, J.D., Molecular Rydberg Transitions. XVIII. Vibronic Doubling in Methyl Iodide; Findley, G.L. and McGlynn, S.P., The Generalized Genetic Code. A Modification of Code Universality; Findley, G.L. and McGlynn, S.P., Fundamental Spectroscopic Studies of Some Atmospheric Pollutants; McGlynn, S.P., Azumi, T. and Kumar, D., The Colors of Post-Transition-Metal Salts; Lewis, J.W., Nauman, R.V., Boulder, D.B., Jr. and McGlynn, S.P., Molecular Rydberg Transitions. XIX. Low-Energy Rydberg States of Azulene; Felps, W.S., Scott, J.D., and McGlynn, S.P., Molecular Rydberg Transitions. XX. Vibronic Doubling in Alkyl Bromides; Felps, W.S. and McGlynn, S.P., Molecular Rydberg Transitions. XXI. Intermediate Coupling in Simple Bromides; McGlynn, S.P. and Felps, W.S., Molecular Rydberg Transitions. XXII. The π → 4s Transition of ClCN; Chattopadhyay, S., McGlynn, S.P. and Findley, G.L., Photoelectron Spectroscopy of Phosphites, Phosphates and Substituted Phosphates; and Scott, John D., A Perturbed Linear Molecule Model for the Spectroscopy of Almost Linear Molecules

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

Science.gov (United States)

2018-01-01

We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).1−5 Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene molecule, and chains of sodium dimers, all located in optical cavities and described in full real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a real molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, for example, electron–photon correlation functions, become accessible in a density-functional theory (DFT) framework. This work constitutes the first three-dimensional ab initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab initio study of correlated electron–photon systems in quantum cavities. PMID:29594185

Volatile antimicrobials from Muscodor crispans, a novel endophytic fungus.

Science.gov (United States)

Mitchell, Angela M; Strobel, Gary A; Moore, Emily; Robison, Richard; Sears, Joe

2010-01-01

Muscodor crispans is a recently described novel endophytic fungus of Ananas ananassoides (wild pineapple) growing in the Bolivian Amazon Basin. The fungus produces a mixture of volatile organic compounds (VOCs); some of the major components of this mixture, as determined by GC/MS, are propanoic acid, 2-methyl-, methyl ester; propanoic acid, 2-methyl-; 1-butanol, 3-methyl-;1-butanol, 3-methyl-, acetate; propanoic acid, 2-methyl-, 2-methylbutyl ester; and ethanol. The fungus does not, however, produce naphthalene or azulene derivatives as has been observed with many other members of the genus Muscodor. The mixture of VOCs produced by M. crispans cultures possesses antibiotic properties, as does an artificial mixture of a majority of the components. The VOCs of the fungus are effective against a wide range of plant pathogens, including the fungi Pythium ultimum, Phytophthora cinnamomi, Sclerotinia sclerotiorum and Mycosphaerella fijiensis (the black sigatoka pathogen of bananas), and the serious bacterial pathogen of citrus, Xanthomonas axonopodis pv. citri. In addition, the VOCs of M. crispans killed several human pathogens, including Yersinia pestis, Mycobacterium tuberculosis and Staphylococcus aureus. Artificial mixtures of the fungal VOCs were both inhibitory and lethal to a number of human and plant pathogens, including three drug-resistant strains of Mycobacterium tuberculosis. The gaseous products of Muscodor crispans potentially could prove to be beneficial in the fields of medicine, agriculture, and industry.

Comparative study of the effects of photodynamic therapy and conventional therapy on ligature induced peri-implantitis in dogs

International Nuclear Information System (INIS)

Hayek, Ricardo Rada Ahmad

2004-01-01

Progressive peri-implanter bone losses, which are accompanied by inflammatory process in the soft tissues is referred to as peri-implantitis. The aim of this study was to compare the effects of lethal photosensitisation with the conventional technique on bacterial reduction in ligature induced peri-implantitis in dogs. Seventeen third pre-molars of Labrador dogs were extracted and, immediately after, the implants were submerged. After osteointegration, peri-implantitis was induced. After 4 months, ligature were removed and the same period was waited for natural induction of bacterial plaque. The dogs were randomly divided into two groups. In the conventional group, they were treated with the conventional techniques of mucoperiosteal flaps for scaling the implant surface and irrigate it. In the laser group, only mucoperiosteal scaling was carried out before photodynamic therapy. On the peri-implanter pocket an azulene paste was injected and a GaAlAs low-power laser (λ= 660 nm, P= 30 mW, E= 5,4 J and Δt= 3 min.). Microbiological samples were obtained before and immediately after treatment. One implant was removed to be analyzed by scan electron microscopy to verify contamination on the implant surface. The results of this study showed that Prevotella sp., Fusobacterium e S. Beta-haemolyticus were significantly reduced for the conventional and laser groups. (author)

Plastic waste to liquid oil through catalytic pyrolysis using natural and synthetic zeolite catalysts.

Science.gov (United States)

Miandad, R; Barakat, M A; Rehan, M; Aburiazaiza, A S; Ismail, I M I; Nizami, A S

2017-11-01

This study aims to examine the catalytic pyrolysis of various plastic wastes in the presence of natural and synthetic zeolite catalysts. A small pilot scale reactor was commissioned to carry out the catalytic pyrolysis of polystyrene (PS), polypropylene (PP), polyethylene (PE) and their mixtures in different ratios at 450°C and 75min. PS plastic waste resulted in the highest liquid oil yield of 54% using natural zeolite and 50% using synthetic zeolite catalysts. Mixing of PS with other plastic wastes lowered the liquid oil yield whereas all mixtures of PP and PE resulted in higher liquid oil yield than the individual plastic feedstocks using both catalysts. The GC-MS analysis revealed that the pyrolysis liquid oils from all samples mainly consisted of aromatic hydrocarbons with a few aliphatic hydrocarbon compounds. The types and amounts of different compounds present in liquid oils vary with some common compounds such as styrene, ethylbenzene, benzene, azulene, naphthalene, and toluene. The FT-IR data also confirmed that liquid oil contained mostly aromatic compounds with some alkanes, alkenes and small amounts of phenol group. The produced liquid oils have high heating values (HHV) of 40.2-45MJ/kg, which are similar to conventional diesel. The liquid oil has potential to be used as an alternative source of energy or fuel production. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analysis of essential oil of eaglewood tree (Aquilaria agallocha Roxb. by gas chromatography mass spectrometry

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Mohammad Nazrul Islam Bhuiyan

2009-06-01

Full Text Available The study was carried out to find out the differences in composition of oils obtained from healthy, naturally infected and artificially screws wounds eaglewood (Aquilaria agallocha Roxb. using gas chromatography mass spectrometry (GC-MS analysis. Natural healthy plants agar contained octacosane (19.83%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (12.67%, 5-isobutyramido-2-methyl pyrimidine (13.52%, caryophyllene oxide (11.25% and (.+-.-cadinene (5.46%. Natural infected plants agar (super agar contained cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl-1-vinyl- (46.17%, caryophyllene oxide (33.00% and 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene (20.83%. Artificially screw injected plants agar contained diisooctyl phthalate (71.97%, 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta., 7.alpha., 7a.beta., 7b.alpha.]- (9.16%, hexadecanoic acid (7.05%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (6.45% and aristolene (5.36%. This study showed a marked difference in the oil compositions among the treatments with regards to their quality.

Selection of active spaces for multiconfigurational wavefunctions

Energy Technology Data Exchange (ETDEWEB)

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich (Switzerland); Janowski, Tomasz; Pulay, Peter, E-mail: pulay@uark.edu [Department of Chemistry and Biochemistry, Fulbright College of Arts and Sciences, University of Arkansas, Fayetteville, Arkansas 72701 (United States)

2015-06-28

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions

Selection of active spaces for multiconfigurational wavefunctions

International Nuclear Information System (INIS)

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus; Janowski, Tomasz; Pulay, Peter

2015-01-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F 2 , ozone, and NO 2 ), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr 2 ). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

Selection of active spaces for multiconfigurational wavefunctions

Science.gov (United States)

Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

2015-06-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

DFT/TDDFT study on the electronic structure and spectral properties in annulated analogue of phenyl heteroazulene derivative

International Nuclear Information System (INIS)

Gasiorski, P.; Danel, K.S.; Matusiewicz, M.; Uchacz, T.; Kuźnik, W.; Piatek, Ł.; Kityk, A.V.

2012-01-01

Highlights: ► Cyclic voltammetry study of heteroazulene derivative PTNA. ► DFT/TDDFT/PCM calculations of molecular geometry and electronic states in PTNA. ► TDDFT/PCM calculations of the absorption and fluorescence spectra in PTNA. ► Comparison between TDDFT/PCM calculated and measured optical spectra. - Abstract: Paper reports the DFT/TDDFT study on the electronic structure and spectral properties of the seven-membered annulated heteroazulene derivative 6-phenyl-6H-5,6,7-triazadibenzo[f,h]naphtho[3,2,1-cd]azulene (PTNA) by means of polarizable continuum model (PCM) and Lippert–Mataga–Onsager reaction field (LM-ORF) model at the B3LYP/6-31+G(d,p) level of theory. The results of calculations are compared with the measured optical absorption and fluorescence spectra as well as with the cyclic voltammetry data. The DFT/TDDFT methods exhibit rather good quantitative agreement regarding the spectral position of the first absorption band; the discrepancy between the experiment and theory is less than 0.1 eV. As for the fluorescence emission the TDDFT calculations underestimate the transition energy of about 0.45 eV. The discrepancy should be attributed to insufficient accuracy of the TDDFT optimization in the excited state. In the polar solvent environment, all the TDDFT/PCM approaches give the bathochromic (red) shift for the fluorescence emission and the hypsochromic (blue) shift for the optical absorption in accordance with the experimental observation. As for the fluorescence emission fairly good agreement with the experiment provides the hybrid approach being the combination of the TDDFT/PCM optimization with the semiempirical electronic structure calculations by PM3 method and solvation LM-ORF model predicting the emission energy in different solvents with the accuracy better than 0.06 eV.

Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.

Science.gov (United States)

Xia, Yongjun; Zhang, Baorong; Li, Weijiang; Xu, Ganrong

2011-10-01

Although the volatiles present in mushrooms and fungi have been investigated by many researchers, including Antrodia camphorata in submerged fermentation, there are few data available regarding changes in volatile compounds during fermentation. Our research has revealed that solid state fermentation of A. camphorata is highly odiferous compared with submerged cultures and the odor changed with increasing culture time. Therefore the aim of this study was to investigate the changes in volatile compound composition of A. camphorata during solid state fermentation. Altogether, 124 major volatile compounds were identified. The volatile compounds produced by A. camphorata during growth in solid state fermentation were quite different. Oct-1-en-3-ol, octan-3-one and methyl 2-phenylacetate were predominant in exponential growth phase production, while the dominant volatiles produced in stationary phase were octan-3-one and methyl 2-phenylacetate. In stationary phase, lactone compounds in A. camphorata, such as 5-butyloxolan-2-one, 5-heptyloxolan-2-one, 6-heptyloxan-2-one, contributed greatly to peach and fruit-like flavor. Terpene and terpene alcohol compounds, such as 1-terpineol, L-linalool, T-cadinol, (E, E)-farnesol, β-elemene, cis-α-bisabolene and α-muurolene, made different contributions to herbal fresh aroma in A. camphorata. Nineteen volatile sesquiterpenes were detected from solid state fermentation of A. camphorata. The compounds 5-n-butyl-5H-furan-2-one, β-ionone, (-)-caryophyllene oxide, aromadendrene oxide, diepi-α-cedrene epoxide, β-elemene, α-selinene, α-muurolene, azulene, germacrene D, γ-cadinene and 2-methylpyrazine have not hitherto been reported in A. camphorata. The preliminary results suggest that the aroma-active compounds produced by A camphorata in solid state fermentation might serve as an important source of natural aroma compounds for the food and cosmetic industries or antibiotic activity compounds. The sesquiterpenes could be

Identificação de espécies da família Asteraceae, revisão sobre usos e triagem fitoquímica do gênero Eremanthus da Reserva Boqueirão, Ingaí-MG Asteraceae species identification, use revision and phytochemical screening of Eremanthus genus in Boqueirão Ecological Reserve, Ingaí - Minas Gerais State, Brazil

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A.O. Ribeiro

2010-12-01

humans. The phytochemical screening of the hydroalcoholic extracts indicated the presence of reducing sugars, carbohydrates, amino acids, tannins, flavonoids, glycosides cardiotonics, carotenoids, steroids and triterpenoids, depsides and depsidones, coumarin derivatives, soapy saponins, alkaloids, purines, polysaccharides and anthraquinones. On the other hand, organic acids, catechins, sesquiterpene lactones and azulenes were not detected.

Investigation of how to prevent mucositis induced by chemoradiotherapy

International Nuclear Information System (INIS)

Tosaka, Chihiro; Tajima, Hakuju; Inoue, Tadao

2011-01-01

Chemoradiotherapy for head and neck cancer is associated with a high incidence of severe oral mucositis; an adverse, painful event. Oral mucositis also causes nutritional deficiency by making oral feeding difficult. This may lead to prolongation of hospitalization due to complications caused by malnutrition. However, an effective way to prevent oral mucositis completely, remains to be found. In this study, we evaluated the occurrence of oral mucositis, and nutritional conditions such as hypoalbuminemia, reduction of body weight, and length of hospital stay (days) when the mouth was rinsed using rebamipide solution (R solution), or Poraprezinc-alginate sodium solution (P-A solution) (both considered to be effective for oral mucositis). A mouth rinsed with sodium azulene sulfonate (S solution) was used as a control. The mouth was rinsed out six times per day continuously during chemoradiotherapy. In the study, 31 patients were assigned to rinse their mouths using R solution, 11 patients using P-A solution, and 15 patients using S solution (reduction rate of body weight in 14 patients). For the evaluation, the criteria for adverse drug reactions CTCAE (v3.0) were used. Grade 1 and over, oral mucositis occurred in 48% of the R solution group, 36% of the P-A solution group, and 80% of the S solution group, indicating that the P-A solution group significantly prevented the occurrence of oral mucositis as opposed to the S solution group. A reduction in body weight was observed in 81% of the R solution group, 82% of the P-A solution group, and 79% of the S solution group, indicating a similar weight reduction rate among individual solution groups. Hypoalbuminemia equal to grade 2 or higher occurred in 3% of the R solution group, 18% of the P-A solution group, and 29% of the S solution group, indicating that the R group significantly prevented the occurrence of hypoalbuminemia compared to the S solution group. In addition, the length of hospital stays were 44±8.0 days for

13b,13c-Di-2-pyridyl-5,7,12,13b,13c,14-hexahydro-6H,13H-5a,6a,12a,13a-tetraazabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-6,13-dione methanol hemisolvate

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Lin Li

2008-01-01

Full Text Available The title compound, C30H24N6O2·0.5CH3OH, a glycoluril derivative with two pyridine substituents on the convex face of the glycoluril system, is an important intermediate for the synthesis of more complex glycoluril derivatives. The compound crystallizes with two independent molecules in the asymmetric unit, one of which exhibits disorder of one benzene ring over two orientations with refined site occupancy factors 0.65 (4:0.35 (4. The crystal structure contains several short C—H...O contacts, and the methanol molecule forms an O—H...O hydrogen bond to one of the glycoluril molecules.

Acaricidal, insecticidal, and larvicidal efficacy of fruit peel aqueous extract of Annona squamosa and its compounds against blood-feeding parasites.

Science.gov (United States)

Madhumitha, Gunabalan; Rajakumar, Govindasamy; Roopan, Selvaraj Mohana; Rahuman, Abdul Abdul; Priya, Kanagaraj Mohana; Saral, Antoneyraj Mary; Khan, Fazlur Rahman Nawaz; Khanna, Venkatesh Gopiesh; Velayutham, Kannaiyaram; Jayaseelan, Chidambaram; Kamaraj, Chinnaperumal; Elango, Gandhi

2012-11-01

Plant products may be alternative sources of parasitic control agents, since they constitute a rich source of bioactive compounds that are eco-friendly and nontoxic products. The plant extracts are good and safe alternatives due to their low toxicity to mammals and easy biodegradability. In the present study, fruit peel aqueous extract of Annona squamosa (Annonaceae) extracted by immersion method exhibited adulticidal activity against Haemaphysalis bispinosa (Acarina: Ixodidae) and the hematophagous fly, Hippobosca maculata (Diptera: Hippoboscidae), and larvicidal activity against the cattle tick Rhipicephalus (Boophilus) microplus (Acari: Ixodidae), Anopheles subpictus, and Culex quinquefasciatus (Diptera: Culicidae). The chemical composition of A. squamosa fruit peel aqueous extract was analyzed by gas chromatography-mass spectrometry. The major chemical constituent of peel aqueous extract of A. squamosa was identified as 1H- cycloprop[e]azulen-7-ol decahydro-1,1,7-trimethyl-4-methylene-[1ar-(1aα,4aα, 7β, 7 a, β, 7bα)] (28.55%) by comparison of mass spectral data and retention times. The other major constituents present in the aqueous extract were retinal 9-cis- (12.61%), 3,17-dioxo-4-androsten-11alpha-yl hydrogen succinate (6.86%), 1-naphthalenepentanol decahydro-5-(hydroxymethyl)-5,8a-dimethyl-y,2-bis(methylene)-(1α,4aβ,5α,8aα) (14.83%), 1-naphthalenemethanol decahydro -5-(5-hydroxy-3-methyl-3-pentenyl)- 1,4a-di methyl - 6-methylene -(1S-[1α, 4aα, 5α(E), 8aβ] (4.44%), (-)-spathulenol (20.75%), podocarp-7-en-3-one13β-methyl-13-vinyl- (5.98%), and 1-phenanthrene carboxaldehyde 7-ethenyl-1,2,3,4,4a,4,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-[1R-(1α,4aβ.4bα,7β, 10aα)]-(5.98%). The adult and larval parasitic mortalities observed in fruit peel aqueous extract of A. squamosa were 31, 59, 80, 91, and100%; 27, 42, 66, 87, and 100%; and 33, 45, 68, 92, and 100% at the concentrations of 250, 500, 1,000, 1,500, and 2,000 ppm, respectively, against

Atividade Antimicrobiana de Extratos Etanólicos de Peperomia pellucida e Portulaca pilosa

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LORENA PAULA MERCêS MENDES

2011-06-01

antimicrobial activity. In this article we focus on Peperomia pellucida (erva-de-jabuti and Portulaca pilosa (amor crescido, both commonly used in the Amazon. P. pellucida is popularly used as a wound dressing, to stop bleeding, and in cases of abdominal pain and cramps, abscesses, acne, boils, kidney problems, hypertension and raised cholesterol, and P. pilosa as a hepato-protective, antidiarrheal and diuretic and for burns, erysipelas and injuries. In this study, we investigated the phytochemistry and antimicrobial activity of extracts of these two plant materials. Phytochemical screening revealed the presence of reducing sugars, phenols and tannins, steroids and terpenoids, cardiac glycosides and carotenoids in the dried ethanol extract (DEE of P. pilosa and of proteins and amino acids, phenols and tannins, flavonoids, steroids and triterpenoids, azulenes, carotenoids, depsides and depsidones in the P. pellucida DEE. The antimicrobial activity of the ethanol extracts was assayed by the agar disc diffusion method, at concentrations of 500, 250, 125 and 62.5 μg/mL. The plant extracts that showed antimicrobial activity in the preliminary assessment were subjected to the broth microdilution test to determine the minimum inhibitory concentration (MIC. The P. pellucida extract had antimicrobial activity against S. aureus and P. aeruginosa and that of P. pilosa against P. aeruginosa. Keywords: Antimicrobial activity. Peperomia pellucida. Portulaca pilosa. Erva-de-jabuti. Amor-crescido.

The importance of the marine ornamental reef fish trade in the wider Caribbean

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A.W Bruckner

2005-05-01

establecieron pesquerías a través del Pacífico tropical y los Océanos Índico y Atlántico.Actualmente,45 países suplen los mercados globales con un estimado de 14-30 millones de peces por año,con un valor de US$28- 44 millones.Los mayores exportadores son Indonesia y Filipinas,seguidos por Brasil,Maldivas,Vietnam,Sri Lanka y Hawai.En el Atlántico Occidental tropical,16 países tienen pesquerías de exportación,incluyendo a los Estados Unidos (Florida y Puerto Rico.Estados Unidos es el mayor comprador,seguido de la Unión Europea y Japón. El comercio mundial consiste de más de 1400 especies de peces de arrecife,de las cuales solamente alrededor de 25 son criadas comercialmente.Los peces damiselas, los peces de anémonas y los ángeles,constituyen más del 50%del volumen mundial;mariposas,lábridos,blénidos, góbidos,chanchos,limas,meritos,meros y cabrillas suman el 31%del mercado y el restante 16%está representado por 33 familias.Los peces más importantes del Caribe son los ángeles (seis especies,caballitos de mar (dos especies, bocones,pez chancho reina,blénido de labios rojos, cabeza azul y cromis azul.En la actualidad,el Caribe suple sólo un pequeño porcentaje del mercado mundial de especies ornamentales marinas,sin embargo,las pesquerías ornamentales en esta región representan importantes industrias emergentes.Es crítico que se desarrollen y refuercen planes y regulaciones de manejo efectivos de pesquerías ornamentales y que se recolecte información pesquero-dependiente y pesquero-independiente,que sirva para ser utilizada en los procesos de toma de decisiones,asegurando la sostenibilidad en las pesquerías ornamentales de la región.

Phytotherapy of Acute Respiratory Viral Diseases

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I.B. Ershova

2016-11-01

of acute respiratory viral infections the medicinal plants of several pharmacological groups mainly used are: plants with a tonic effect (plants containing vitamins and minerals — rose hips, black currant, sea buckthorn, citrus fruits, adaptogens and immune modulators should be used in pediatric practice with caution (Ginseng, Rhodiola Rosea, Aralia Manchurian, plants containing biogenic stimulators — the aloe latex, kalanchoe, plant with bactericidal and bacteriostatic effect (sage leaves drug, eucalyptus switchgrass, plants with anti-inflammatory effect, containing tannins — oak bark, Potentilla rhizome, rhizome of Polygonum snake, burnet, alder cones, etc; plants containing essential oils, azulene derivatives — Chamomile flowers; plants containing mucus — Farfara leaves, Plantain; Linden flowers; plants with antipyretic and diaphoretic action — plants containing vitamins (fruits of raspberry, black currant fruit, cranberry; plants containing salicylic acid derivatives — Viola tricolor, raspberry fruit; plants with protective, emollient, expectorant action containing mucus — Farfara leaves; Linden flowers, plantain leaves are large; containing alkaloids, with antitussive effect —codeine phosphate; glaucine hydrochloride grass of Thermopsis lancet; bronchodilators plants; plants with anti-allergic effect, containing flavonoids — herb of Viola tricolor, the roots of Licorice. The article presents the re­commendation of professor O.D. Barnaulov, a pediatric phytotherapist O.A. Daniluk on herbal medicine using in children, the rules of the certain medicinal plants use by Y.I. Korshikova, dosage regimen for herbal remedies for children, proposed by N.P. Menshikova, as well as practical advice on drafting phytospecies for the treatment and prophylaxis of acute respiratory viral infections and prescribing proposed by phytotherapist O.V. Kostareva.