X-Ray Absorption Near-Edge Structure (XANES) of Calcium L3,2 Edges of Various Calcium Compounds and X-Ray Excited Optical Luminescence (XEOL) Studies of Luminescent Calcium Compounds

International Nuclear Information System (INIS)

Ko, J. Y. Peter; Zhou Xingtai; Sham, T.-K.; Heigl, Franziskus; Regier, Tom; Blyth, Robert

2007-01-01

X-ray absorption at calcium L3,2 edges of various calcium compounds were measured using a high resolution Spherical Grating Monochromator (SGM) at the Canadian Light Source (CLS). We observe that each compound has its unique fine structure of L3,2 edges. This uniqueness is due to differences in local structure of compounds. We also performed (X-ray Excited Optical Luminescence) XEOL of selected luminescent calcium compounds to investigate their optical properties. XEOL is a photon-in-photon-out technique in which the optical luminescence that is excited by tunable x-rays from a synchrotron light source is monitored. Depending on excitation energy of the x-ray, relative intensities of luminescence peaks vary. Recent findings of the results will be presented here

Optical spectra of phthalocyanines and related compounds a guide for beginners

CERN Document Server

Isago, Hiroaki

2015-01-01

This book displays how optical (absorption, emission, and magnetic circular dichroism) spectra of phthalocyanines and related macrocyclic dyes can be varied from their prototypical ones depending on conditions. As these compounds can be involved in colorful chemistry (which might be driven by impurities in solvents), their spectra behave like the sea-god Proteus in their mutability. Therefore, those who have been engaged with phthalocyanines for the first time, including even educated professional researchers and engineers, may have been embarrassed by the deceptive behavior of their compounds and could have, in the worst cases, given up their projects. This book is aimed not merely at reviewing the optical spectra, but also at helping such people, particularly beginners, to figure them out by showing some examples of their prototypical spectra and their variations in several situations. For the purpose of better understanding, the book also provides an introduction to their theoretical backgrounds as graphic...

Active Faraday optical frequency standard.

Science.gov (United States)

Zhuang, Wei; Chen, Jingbiao

2014-11-01

We propose the mechanism of an active Faraday optical clock, and experimentally demonstrate an active Faraday optical frequency standard based on narrow bandwidth Faraday atomic filter by the method of velocity-selective optical pumping of cesium vapor. The center frequency of the active Faraday optical frequency standard is determined by the cesium 6 (2)S(1/2) F=4 to 6 (2)P(3/2) F'=4 and 5 crossover transition line. The optical heterodyne beat between two similar independent setups shows that the frequency linewidth reaches 281(23) Hz, which is 1.9×10(4) times smaller than the natural linewidth of the cesium 852-nm transition line. The maximum emitted light power reaches 75 μW. The active Faraday optical frequency standard reported here has advantages of narrow linewidth and reduced cavity pulling, which can readily be extended to other atomic transition lines of alkali and alkaline-earth metal atoms trapped in optical lattices at magic wavelengths, making it useful for new generation of optical atomic clocks.

Active Full-Shell Grazing-Incidence Optics

Science.gov (United States)

Davis, Jacqueline M.; Elsner, Ronald F.; Ramsey, Brian D.; O'Dell, Stephen L.; Kolodziejczak, Jeffery; Weisskopf, Martin C.; Gubarev, Mikhail V.

2016-01-01

MSFC has a long history of developing full-shell grazing-incidence x-ray optics for both narrow (pointed) and wide field (surveying) applications. The concept presented in this paper shows the potential to use active optics to switch between narrow and wide-field geometries, while maintaining large effective area and high angular resolution. In addition, active optics has the potential to reduce errors due to mounting and manufacturing lightweight optics. The design presented corrects low spatial frequency error and has significantly fewer actuators than other concepts presented thus far in the field of active x-ray optics. Using a finite element model, influence functions are calculated using active components on a full-shell grazing-incidence optic. Next, the ability of the active optic to effect a change of optical prescription and to correct for errors due to manufacturing and mounting is modeled.

Compound Tension Control of an Optical-Fiber Coil System: A Cyber-Physical System View

Directory of Open Access Journals (Sweden)

Zhang Peng

2014-03-01

Full Text Available The full-automatic optical-fiber coil winding equipment is a complex electromechanical system which contains signal acquisition, data processing, communications, and motor control. In the complex electromechanical system, the subsystems rely on wired or wireless network technology to complete the real-time perception, coordinate, accurate, and dynamitic control, and information exchange services. The paper points to the full-automatic optical-fiber coil winding equipment with the characteristics of cyber-physical system to research its numerical design. We present a novel compound tension control system based on the experimental platform dSPACE to achieve semiphysical simulation of compound tension control system and examine the functions of control system.

Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

DEFF Research Database (Denmark)

Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren

2015-01-01

The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...... polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm...

Microfabricated ommatidia using a laser induced self-writing process for high resolution artificial compound eye optical systems.

Science.gov (United States)

Jung, Hyukjin; Jeong, Ki-Hun

2009-08-17

A microfabricated compound eye, comparable to a natural compound eye shows a spherical arrangement of integrated optical units called artificial ommatidia. Each consists of a self-aligned microlens and waveguide. The increase of waveguide length is imperative to obtain high resolution images through an artificial compound eye for wide field-of - view imaging as well as fast motion detection. This work presents an effective method for increasing the waveguide length of artificial ommatidium using a laser induced self-writing process in a photosensitive polymer resin. The numerical and experimental results show the uniform formation of waveguides and the increment of waveguide length over 850 microm. (c) 2009 Optical Society of America

Biochemical studies on certain biologically active nitrogenous compounds

International Nuclear Information System (INIS)

Abdel kader, S.M.; El Sayed, M.M.; El Malt, E.A.; Shaker, E.S.; Abdel Aziz, H.G.

2010-01-01

Certain biologically active nitrogenous compounds such as alkaloids are widely distributed in many wild and medicinal plants such as peganum harmala L. (Phycophyllaceae). However, less literature cited on the natural compounds was extracted from the aerial parts of this plant; therefore this study was conducted on harmal leaves using several solvents. Data indicated that methanol extract was the inhibitoriest effect against some pathogenic bacteria, particularly Streptococcus pyogenus. Chromatographic separation illustrated that presence of four compounds; the most active one was the third compound (3). Elementary analysis (C, H, N) revealed that the primary chemical structure of the active antibacterial compound (C3) was: C17 H21 N3 O7 S with molecular weight 411. Spectroscopic analysis proved that coninical structure was = 1- thioformyl, 8?- D glucoperanoside- Bis- 2, 3 dihydroisopyridino pyrrol. This new compound is represented as a noval ?- carboline alkaloid compound

Optical analysis of a compound quasi-microscope for planetary landers

Science.gov (United States)

Wall, S. D.; Burcher, E. E.; Huck, F. O.

1974-01-01

A quasi-microscope concept, consisting of facsimile camera augmented with an auxiliary lens as a magnifier, was introduced and analyzed. The performance achievable with this concept was primarily limited by a trade-off between resolution and object field; this approach leads to a limiting resolution of 20 microns when used with the Viking lander camera (which has an angular resolution of 0.04 deg). An optical system is analyzed which includes a field lens between camera and auxiliary lens to overcome this limitation. It is found that this system, referred to as a compound quasi-microscope, can provide improved resolution (to about 2 microns ) and a larger object field. However, this improvement is at the expense of increased complexity, special camera design requirements, and tighter tolerances on the distances between optical components.

Dispersion of the linear and nonlinear optical susceptibilities of the CuAl(S1−xSex)2 mixed chaclcopyrite compounds

International Nuclear Information System (INIS)

Reshak, A. H.; Brik, M. G.; Auluck, S.

2014-01-01

Based on the electronic band structure, we have calculated the dispersion of the linear and nonlinear optical susceptibilities for the mixed CuAl(S 1−x Se x ) 2 chaclcopyrite compounds with x = 0.0, 0.25, 0.5, 0.75, and 1.0. Calculations are performed within the Perdew-Becke-Ernzerhof general gradient approximation. The investigated compounds possess a direct band gap of about 2.2 eV (CuAlS 2 ), 1.9 eV (CuAl(S 0.75 Se 0.25 ) 2 ), 1.7 eV (CuAl(S 0.5 Se 0.5 ) 2 ), 1.5 eV (CuAl(S 0.25 Se 0.75 ) 2 ), and 1.4 eV (CuAlSe 2 ) which tuned to make them optically active for the optoelectronics and photovoltaic applications. These results confirm that substituting S by Se causes significant band gaps' reduction. The optical function's dispersion ε 2 xx (ω) and ε 2 zz (ω)/ε 2 xx (ω), ε 2 yy (ω), and ε 2 zz (ω) was calculated and discussed in detail. To demonstrate the effect of substituting S by Se on the complex second-order nonlinear optical susceptibility tensors, we performed detailed calculations for the complex second-order nonlinear optical susceptibility tensors, which show that the neat parents compounds CuAlS 2 and CuAlSe 2 exhibit | χ 123 (2) (−2ω;ω;ω) | as the dominant component, while the mixed alloys exhibit | χ 111 (2) (−2ω;ω;ω) | as the dominant component. The features of | χ 123 (2) (−2ω;ω;ω) | and | χ 111 (2) (−2ω;ω;ω) | spectra were analyzed on the basis of the absorptive part of the corresponding dielectric function ε 2 (ω) as a function of both ω/2 and ω.

The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds

International Nuclear Information System (INIS)

Dadsetani, M.; Beiranvand, R.

2010-01-01

Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear relationships are observed between theoretical band gap and 1/a 2 (where a is lattice constant) for calcium, strontium and barium chalcogenide compounds with and without oxygen, respectively. An abnormal behavior of electronic and optical properties are found for compounds containing oxygen. These effects are ascribed to the special properties of Ca-O, Sr-O and Ba-O bonds, which are different from chemical bonds between Ca, Sr and Ba and other chalcogen atoms.

Tunable 'optical activity' in electrorheological fluids

International Nuclear Information System (INIS)

Zhao, Q.; Zhao, X.P.

2005-01-01

The 'optical activity' of adjustable periodic structure material (SiO 2 and pentaerythrital electrorheological (ER) fluids) is firstly investigated using two kinds of setup. It is found that the rotation angles can be tuned by the external electric field and weight concentrations, and the sign of the rotation angle is negative, so, the used ER fluids are defined as the left-handed optically active substances under the application of electric field. The laser diffraction patterns are also observed in the ER fluids, which indicates the formation of alignment. It is thought that the symmetry breaking of structure induced by applied electric field is the origin of the 'optical activity' in the ER fluids. The electrically tunable 'optical activity' will find innovative applications in displays, optical devices and other fields

Optical contrast spectra studies for determining thickness of stage-1 graphene-FeCl{sub 3} intercalation compounds

Energy Technology Data Exchange (ETDEWEB)

Han, Wen-Peng, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com; Yan, Xu; Zhao, Hui [College of Physics, Qingdao University, Qingdao 266071 (China); Li, Qiao-Qiao; Lu, Yan [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Long, Yun-Ze, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com [College of Physics, Qingdao University, Qingdao 266071 (China); Collaborative Innovation Center for Low-Dimensional Nanomaterials and Optoelectronic Devices, Qingdao University, Qingdao 266071 (China)

2016-07-15

Because of novel features in their structural, electronic, magnetic and optical properties, especially potential applications in nanoelectronics, the few-layer graphene intercalation compounds (FLGICs) have been intensively studied recently. In this work, the dielectric constant of the doped graphene of stage-1 FeCl{sub 3}-GIC is obtained by fitting the optical contrast spectra. And fully intercalated stage-1 FeCl{sub 3}-FLGICs were prepared by micromechanical cleavage method from graphite intercalation compounds (GICs) for the first time. Finally, we demonstrated that the thickness of stage-1 FeCl{sub 3}-GICs by micromechanical cleavage can be determined by optical contrast spectra. This method also can be used to other FLGICs, such as SbCl{sub 5}-FLGICs and AuCl{sub 5}-FLGICs, etc.

Electronic structure, Fermi surface topology and spectroscopic optical properties of LaBaCo{sub 2}O{sub 5.5} compound

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H. [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Al-Douri, Y. [Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Khan, Wilayat; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Azam, Sikander, E-mail: sikander.physicst@gmail.com [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic)

2014-08-01

We have investigated the electronic band structure, Fermi surface topology, chemical bonding and optical properties of LaBaCo{sub 2}O{sub 5.5} compound. The first-principle calculations based on density functional theory (DFT) by means of the full-potential linearized augmented plane-wave method were employed. The atomic positions of LaBaCo{sub 2}O{sub 5.5} compound were optimized by minimizing the forces acting on atoms. We employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel–Vosko GGA (EVGGA) to treat the exchange correlation potential by solving Kohn–Sham equations. Electronic structure and bonding properties are studied throughout the calculation of densities of states, Fermi surfaces and charge densities. Furthermore, the optical properties are investigated via the calculation of the dielectric tensor component in order to characterize the linear optical properties. Optical spectra are analyzed by means of the electronic structure, which provides theoretical understanding of the conduction mechanism of the investigated compound. - Highlights: • DFT-FPLAPW method used for calculating the properties of LaBaCo{sub 2}O{sub 5.5} compound. • This study shows that nature of the compound is metallic. • Crystallographic plane which shows covalent character of O–Co bond. • The optical properties were also calculated and analyzed. • The Fermi surface of LaBaCo{sub 2}O{sub 5.5} is composed of five bands crossing along Γ–Z direction.

Antimicrobial activity of some potential active compounds against ...

African Journals Online (AJOL)

Antimicrobial activities of six potential active compounds (acetic acid, chitosan, catechin, gallic acid, lysozyme, and nisin) at the concentration of 500 g/ml against the growth of Escherichia coli, Staphylococcus aureus, Listeria innocua, and Saccharomyces cerevisiae were determined. Lysozyme showed the highest ...

Electronic, bonding, linear and non-linear optical properties of novel Li{sub 2}Ga{sub 2}GeS{sub 6} compound

Energy Technology Data Exchange (ETDEWEB)

Khan, Wilayat, E-mail: wkhan@ntc.zcu.cz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Murtaza, G., E-mail: murtaza@icp.edu.pk [Department of Physics, Islamia College Peshawar, KPK (Pakistan); Ouahrani, T. [Laboratoire de Physique Théorique, B.P. 230, Université de Tlemcen, Tlemcen 13000 (Algeria); École Préparatoire en Sciences et Techniques, BP 165 R.P., 13000 Tlemcen (Algeria); Mahmood, Asif [College of Engineering, Chemical Engineering Department, King Saud University Riyadh (Saudi Arabia); Khenata, R.; El Amine Monir, Mohammed; Baltache, H. [Laboratoire de Physique Quantique, de la Matière et de la Modélisation Mathématique (LPQ3M), Université de Mascara, Mascara 29000 (Algeria)

2016-07-25

Recently a new sulphide compound Li{sub 2}Ga{sub 2}GeS{sub 6} was synthesized. It has attracted great attention due to its nonlinear optical properties. Quite surprisingly no theoretical study yet been reported on the physical properties of this important material. We have paid attention to study the electronic and optical properties of Li{sub 2}Ga{sub 2}GeS{sub 6} using first principles techniques of density functional theory. Different exchange-correlation techniques have been applied to study these properties. From local density and generalized gradient approximations the compound is predicted to be direct bandgap. However the band gap is indirect when calculated through the Engle–Vosko and modified Becke–Johnson potentials. Therefore the bandgap of the compound is pseudo direct (direct and indirect band gaps are very close). In optical properties dielectric function, refractive index, reflectivity and absorption coefficient were studied. Furthermore, the second harmonic generation properties of the compound are predicted. - Highlights: • Li{sub 2}Ga{sub 2}GeS{sub 6} studied for the first time using first principles calculations. • Different exchange correlation potentials have been adopted for the calculations. • Bandgap of the compound is pseudo direct. • Optical structures are prominent in the low frequency ultraviolet region. • The lone pair basins seem to have a non-negligible role in the optical properties.

The LAM space active optics facility

Science.gov (United States)

Engel, C.; Ferrari, M.; Hugot, E.; Escolle, C.; Bonnefois, A.; Bernot, M.; Bret-Dibat, T.; Carlavan, M.; Falzon, F.; Fusco, T.; Laubier, D.; Liotard, A.; Michau, V.; Mugnier, L.

2017-11-01

The next generation of large lightweight space telescopes will require the use of active optics systems to enhance the performance and increase the spatial resolution. Since almost 10 years now, LAM, CNES, THALES and ONERA conjugate their experience and efforts for the development of space active optics through the validation of key technological building blocks: correcting devices, metrology components and control strategies. This article presents the work done so far on active correcting mirrors and wave front sensing, as well as all the facilities implemented. The last part of this paper focuses on the merging of the MADRAS and RASCASSE test-set up. This unique combination will provide to the active optics community an automated, flexible and versatile facility able to feed and characterise space active optics components.

Activity of Polyphenolic Compounds against Candida glabrata

Directory of Open Access Journals (Sweden)

Ricardo Salazar-Aranda

2015-09-01

Full Text Available Opportunistic mycoses increase the morbidity and mortality of immuno-compromised patients. Five Candida species have been shown to be responsible for 97% of worldwide cases of invasive candidiasis. Resistance of C. glabrata and C. krusei to azoles has been reported, and new, improved antifungal agents are needed. The current study was designed to evaluatethe activity of various polyphenolic compounds against Candida species. Antifungal activity was evaluated following the M27-A3 protocol of the Clinical and Laboratory Standards Institute, and antioxidant activity was determined using the DPPH assay. Myricetin and baicalein inhibited the growth of all species tested. This effect was strongest against C. glabrata, for which the minimum inhibitory concentration (MIC value was lower than that of fluconazole. The MIC values against C. glabrata for myricitrin, luteolin, quercetin, 3-hydroxyflavone, and fisetin were similar to that of fluconazole. The antioxidant activity of all compounds was confirmed, and polyphenolic compounds with antioxidant activity had the greatest activity against C. glabrata. The structure and position of their hydroxyl groups appear to influence their activity against C. glabrata.

Estimation of optical rotation of γ-alkylidenebutenolide, cyclopropylamine, cyclopropyl-methanol and cyclopropenone based compounds by a Density Functional Theory (DFT) approach.

Science.gov (United States)

Shahzadi, Iram; Shaukat, Aqsa; Zara, Zeenat; Irfan, Muhammad; Eliasson, Bertil; Ayub, Khurshid; Iqbal, Javed

2017-10-01

Computing the optical rotation of organic molecules can be a real challenge, and various theoretical approaches have been developed in this regard. A benchmark study of optical rotation of various classes of compounds was carried out by Density Functional Theory (DFT) methods. The aim of the present research study was to find out the best-suited functional and basis set to estimate the optical rotations of selected compounds with respect to experimental literature values. Six DFT functional LSDA, BVP86, CAM-B3LYP, B3PW91, and PBE were applied on 22 different compounds. Furthermore, six different basis sets, i.e., 3-21G, 6-31G, aug-cc-pVDZ, aug-cc-pVTZ, DGDZVP, and DGDZVP2 were also applied with the best-suited functional B3LYP. After rigorous effort, it can be safely said that the best combination of functional and basis set is B3LYP/aug-cc-pVTZ for the estimation of optical rotation for selected compounds. © 2017 Wiley Periodicals, Inc.

Structure Modification of an Active Azo-Compound as a Route to New Antimicrobial Compounds

Directory of Open Access Journals (Sweden)

Simona Concilio

2017-05-01

Full Text Available Some novel (phenyl-diazenylphenols 3a–g were designed and synthesized to be evaluated for their antimicrobial activity. A previously synthesized molecule, active against bacteria and fungi, was used as lead for modifications and optimization of the structure, by introduction/removal or displacement of hydroxyl groups on the azobenzene rings. The aim of this work was to evaluate the consequent changes of the antimicrobial activity and to validate the hypothesis that, for these compounds, a plausible mechanism could involve an interaction with protein receptors, rather than an interaction with membrane. All newly synthesized compounds were analyzed by 1H-NMR, DSC thermal analysis and UV-Vis spectroscopy. The in vitro minimal inhibitory concentrations (MIC of each compound was determined against Gram-positive and Gram-negative bacteria and Candida albicans. Compounds 3b and 3g showed the highest activity against S. aureus and C. albicans, with remarkable MIC values of 10 µg/mL and 3 µg/mL, respectively. Structure-activity relationship studies were capable to rationalize the effect of different substitutions on the phenyl ring of the azobenzene on antimicrobial activity.

Stage-specific activity of potential antimalarial compounds measured in vitro by flow cytometry in comparison to optical microscopy and hypoxanthine uptake

Directory of Open Access Journals (Sweden)

Carmen E Contreras

2004-03-01

Full Text Available The evaluation of new antimalarial agents using older methods of monitoring sensitivity to antimalarial drugs are laborious and poorly suited to discriminate stage-specific activity. We used flow cytometry to study the effect of established antimalarial compounds, cysteine protease inhibitors, and a quinolone against asexual stages of Plasmodium falciparum. Cultured P. falciparum parasites were treated for 48 h with different drug concentrations and the parasitemia was determined by flow cytometry methods after DNA staining with propidium iodide. P. falciparum erythrocytic life cycle stages were readily distinguished by flow cytometry. Activities of established and new antimalarial compounds measured by flow cytometry were equivalent to results obtained with microscopy and metabolite uptake assays. The antimalarial activity of all compounds was higher against P. falciparum trophozoite stages. Advantages of flow cytometry analysis over traditional assays included higher throughput for data collection, insight into the stage-specificity of antimalarial activity avoiding use of radioactive isotopes.

Synthesis, biological activity and computational studies of novel azo-compounds

International Nuclear Information System (INIS)

Ashraf, J.; Murtaza, S.; Mughal, E.U.; Sadiq, A.

2017-01-01

In the present protocol, we report the synthesis and characterization of some novel azo-compounds starting from 4-methoxyaniline and 4-aminophenazone, which were diazotized at low temperature. 4-nitrophenol, 2-aminobenzoic acid, benzamide, 4-aminobenzoic acid, resorcinol, o-bromonitrobenzene and 2-nitroaniline were used as active aromatic coupling compounds for the second step. The synthesized compounds were investigated for their potential antibacterial activities by using disc diffusion method against Escherichia coli, Shigellasonnei, Streptococcus pyrogenes, Staphylococcus aureus and Neisseria gonorrhoeae strains. They were also subjected to antioxidant activities by using DPPH method. Results revealed that the compounds of 4-methoxyaniline and 4-aminophenazone showed good antibacterial activity against all strains, where as some azo-compounds have moderate to good antioxidant activities. Furthermore, these compounds were studied by computational analysis. (author)

A Structure-Activity Relationship (SAR Study of Neolignan Compounds with Anti-schistosomiasis Activity

Directory of Open Access Journals (Sweden)

Alves Claúdio N.

2002-01-01

Full Text Available A set of eighteen neolignan derivative compounds with anti-schistosomiasis activity was studied by using the quantum mechanical semi-empirical method PM3 and other theoretical methods in order to calculate selected molecular properties (variables or descriptors to be correlated to their biological activities. Exploratory data analysis (principal component analysis, PCA, and hierarchical cluster analysis, HCA, discriminant analysis (DA and the Kth nearest neighbor (KNN method were employed for obtaining possible relationships between the calculated descriptors and the biological activities studied and predicting the anti-schistosomiasis activity of new compounds from a test set. The molecular descriptors responsible for the separation between active and inactive compounds were: hydration energy (HE, molecular refractivity (MR and charge on the C19 carbon atom (Q19. These descriptors give information on the kind of interaction that can occur between the compounds and their respective biological receptor. The prediction study was done with a new set of ten derivative compounds by using the PCA, HCA, DA and KNN methods and only five of them were predicted as active against schistosomiasis.

Thermal lens and all optical switching of new organometallic compound doped polyacrylamide gel

Science.gov (United States)

Badran, Hussain Ali

In this work thermal lens spectrometry (TLS) is applied to investigate the thermo-optical properties of new organometallic compound containing azomethine group, Dichloro bis [2-(2-hydroxybenzylideneamino)-5-methylphenyl] telluride platinum(II), doped polyacrylamide gel using transistor-transistor logic (TTL) modulated cw 532 nm laser beam as an excitation beam modulated at 10 Hz frequency and probe beam wavelength 635 nm at 14 mW. The technique is applied to determine the thermal diffusivities, ds/dT and the linear thermal expansion coefficient of the sample. All-optical switching effects with low background and high stability are demonstrated.

Optical characterization of RTV615 silicone rubber compound

International Nuclear Information System (INIS)

Li, W; Huber, G M

2014-01-01

Room Temperature Vulcanized (RTV) silicone compounds are commonly used to bond optical components. For our application, we needed to identify an adhesive with good ultraviolet transmission characteristics, to couple photomultipliers to quartz windows in a Heavy Gas Čerenkov detector that is being constructed for Experimental Hall C of Jefferson Lab to provide π/K separation up to 11 GeV/c. To this end, we present the light transmission results for Momentive RTV615 silicone rubber compound for wavelengths between 195-400 nm, obtained with an adapted reflectivity apparatus at Jefferson Lab. All samples cured at room temperature have transmissions ∼ 93% for wavelengths between 360-400 nm and fall sharply below 230 nm. Wavelength dependent absorption coefficients were extracted with four samples of different thicknesses cured at normal temperature (25° C for 7 days). The absorption coefficient drops approximately two orders in magnitude from 220-400 nm, exhibiting distinct regions of flattening near 250 nm and 330 nm. We also investigated the effect of a high temperature curing method (100° C for 1 hour) and found 5-10% better transmission than with the normal method. The effect was more significant with larger sample thickness (3.35 mm) over the wavelength range of 220-280 nm

Supramolecular Structure, Physical Properties, and Langmuir-Blodgett Film Formation of an Optically Active Liquid-Crystalline Phthalocyanine

NARCIS (Netherlands)

Nostrum, Cornelus F. van; Bosman, Anton W.; Gelinck, Gerwin H.; Schouten, Pieter G.; Warman, John M.; Devillers, Marinus A.C.; Meijerink, Andries; Picken, Stephen J.; Sohling, Ulrich; Schouten, Arend-Jan; Nolte, Roeland J.M.

The structure and physical properties of optically active, metal-free 2,3,9,10,16,17,23,24-octa(S-3,7-dimethyloctoxy)phthalocyanine ((S)-Pc(8,2)) are reported and compared with those of the phthalocyanine with (R,S) side chains (mixture of 43 stereoisomers). Unlike the latter compound, (S)-Pc(8,2)

Insecticidal Activity of Cyanohydrin and Monoterpenoid Compounds

Directory of Open Access Journals (Sweden)

Joel R. Coats

2000-04-01

Full Text Available The insecticidal activities of several cyanohydrins, cyanohydrin esters and monoterpenoid esters (including three monoterpenoid esters of a cyanohydrin were evaluated. Topical toxicity to Musca domestica L. adults was examined, and testing of many compounds at 100 mg/fly resulted in 100% mortality. Topical LD50 values of four compounds for M. domestica were calculated. Testing of many of the reported compounds to brine shrimp (Artemia franciscana Kellog resulted in 100% mortality at 10 ppm, and two compounds caused 100% mortality at 1 ppm. Aquatic LC50 values were calculated for five compounds for larvae of the yellow fever mosquito (Aedes aegypti (L.. Monoterpenoid esters were among the most toxic compounds tested in topical and aquatic bioassays.

Topological phase, electronic, magnetic and optical properties of ScPdBi compound with Gd, Np and Cm impurities

Energy Technology Data Exchange (ETDEWEB)

Narimani, Mitra; Nourbakhsh, Zahra, E-mail: z.nourbakhsh@sci.ui.ac.ir

2017-07-15

Highlights: • Gd, Np and Cm impurities induce the magnetic moment in ScPdBi compound. • ScPdBi compound with Gd, Np and Cm impurities has normal band order. • The ε(0) and R(0) increase by increasing the atomic number of X atom. - Abstract: The electronic, magnetic and optical properties of X-doped ScPdBi (X = Gd, Np, Cm) are investigated in the framework of density functional theory. The exchange-correlation potential is treated using generalized gradient approximation with Coulomb interaction parameter. The band order and energy band gap of X-doped ScPdBi are investigated by calculation of band structure. The effect of doping impurity on magnetic properties of ScPdBi compound is studied by calculation of total and partial magnetic moments of X-doped ScPdBi compound. Furthermore, the optical properties of X-doped ScPdBi are calculated and compared in the energy range of 0–25 eV.

Low scatter edge blackening compounds for refractive optical elements

International Nuclear Information System (INIS)

Lewis, I.T.; Telkamp, A.R.; Ledebuhr, A.G.

1989-01-01

This paper reports on low scatter edge blackening compounds for refractive optical elements. Perkin-Elmer's Applied Optics Operation recently delivered several prototype wide-field-of-view (WFOV), F/2.8, 250 mm efl, near diffraction limited, concentric lenses toLawrence Livermore National Laboratory (LLNL). In these lenses, special attention was paid to reducing stray light to allow viewing of very dim objects. Because of the very large FOV, the use of a long baffle to eliminate direct illumination of lens edges was not practical. With the existing relatively short baffle design, one-bounce stray light paths off the element edges are possible. The scattering off the inside edges thus had to be kept to an absolute minimum. While common means for blackening the edges of optical elements are easy to apply and quite cost effective for normal lens assemblies, their blackening effect is limited by the Fresnel reflection due to the index of refraction mismatch at the glass boundary. At high angles of incidence, total internal reflection (TIR) might occur ruining the effect of the blackening process. An index-match absorbing medium applied to the edges of such elements is the most effective approach for reducing the amount of undesired light reflection or scattered off these edges. The presence of such a medium provides an extended path outside the glass boundary in which an absorptive non-scattering dye can be used to eliminate light that might otherwise have propagated to the focal plane

Compound Structure-Independent Activity Prediction in High-Dimensional Target Space.

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Balfer, Jenny; Hu, Ye; Bajorath, Jürgen

2014-08-01

Profiling of compound libraries against arrays of targets has become an important approach in pharmaceutical research. The prediction of multi-target compound activities also represents an attractive task for machine learning with potential for drug discovery applications. Herein, we have explored activity prediction in high-dimensional target space. Different types of models were derived to predict multi-target activities. The models included naïve Bayesian (NB) and support vector machine (SVM) classifiers based upon compound structure information and NB models derived on the basis of activity profiles, without considering compound structure. Because the latter approach can be applied to incomplete training data and principally depends on the feature independence assumption, SVM modeling was not applicable in this case. Furthermore, iterative hybrid NB models making use of both activity profiles and compound structure information were built. In high-dimensional target space, NB models utilizing activity profile data were found to yield more accurate activity predictions than structure-based NB and SVM models or hybrid models. An in-depth analysis of activity profile-based models revealed the presence of correlation effects across different targets and rationalized prediction accuracy. Taken together, the results indicate that activity profile information can be effectively used to predict the activity of test compounds against novel targets. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phenolic Compounds and Antioxidant Activities of Liriope muscari

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Shu Shan Du

2012-02-01

Full Text Available Five phenolic compounds, namely N-trans-coumaroyltyramine (1, N-trans-feruloyltyramine (2, N-trans-feruloyloctopamine (3, 5,7-dihydroxy-8-methoxyflavone (4 and (3S3,5,4′-trihydroxy-7-methoxy-6-methylhomoisoflavanone (5, were isolated from the fibrous roots of Liriope muscari (Liliaceae. Compounds 2–5 were isolated for the first time from the Liriope genus. Their in vitro antioxidant activities were assessed by the DPPH and ABTS scavenging methods with microplate assays. The structure-activity relationships of compounds 1–3 are discussed.

Optical limiting properties of optically active phthalocyanine derivatives

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Wang, Peng; Zhang, Shuang; Wu, Peiji; Ye, Cheng; Liu, Hongwei; Xi, Fu

2001-06-01

The optical limiting properties of four optically active phthalocyanine derivatives in chloroform solutions and epoxy resin thin plates were measured at 532 nm with 10 ns pulses. The excited state absorption cross-section σex and refractive-index cross-section σr were determined with the Z-scan technique. These chromophores possess larger σex than the ground state absorption cross-section σ0, indicating that they are the potential materials for reverse saturable absorption (RSA). The negative σr values of these chromophores add to the thermal contribution, producing a larger defocusing effect, which may be helpful in further enhancing their optical limiting performance. The optical limiting responses of the thin plate samples are stronger than those of the chloroform solutions.

Analysis of compound parabolic concentrators and aperture averaging to mitigate fading on free-space optical links

Science.gov (United States)

Wasiczko, Linda M.; Smolyaninov, Igor I.; Davis, Christopher C.

2004-01-01

Free space optics (FSO) is one solution to the bandwidth bottleneck resulting from increased demand for broadband access. It is well known that atmospheric turbulence distorts the wavefront of a laser beam propagating through the atmosphere. This research investigates methods of reducing the effects of intensity scintillation and beam wander on the performance of free space optical communication systems, by characterizing system enhancement using either aperture averaging techniques or nonimaging optics. Compound Parabolic Concentrators, nonimaging optics made famous by Winston and Welford, are inexpensive elements that may be easily integrated into intensity modulation-direct detection receivers to reduce fading caused by beam wander and spot breakup in the focal plane. Aperture averaging provides a methodology to show the improvement of a given receiver aperture diameter in averaging out the optical scintillations over the received wavefront.

En face speckle reduction in optical coherence microscopy by frequency compounding.

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Magnain, Caroline; Wang, Hui; Sakadžić, Sava; Fischl, Bruce; Boas, David A

2016-05-01

We report the use of frequency compounding to significantly reduce speckle noise in optical coherence microscopy, more specifically on the en face images. This method relies on the fact that the speckle patterns recorded from different wavelengths simultaneously are independent; hence their summation yields significant reduction in noise, with only a single acquisition. The results of our experiments with microbeads show that the narrow confocal parameter, due to a high numerical aperture objective, restricts the axial resolution loss that would otherwise theoretically broaden linearly with the number of optical frequency bands used. This speckle reduction scheme preserves the lateral resolution since it is performed on individual A-scans. Finally, we apply this technique to images of fixed human brain tissue, showing significant improvements in contrast-to-noise ratio with only moderate loss of axial resolution, in an effort to improve automatic three-dimensional detection of cells and fibers in the cortex.

Polymer Optical Fiber Compound Parabolic Concentrator fiber tip based glucose sensor: In-Vitro Testing

DEFF Research Database (Denmark)

Hassan, Hafeez Ul; Janting, Jakob; Aasmul, Soren

2016-01-01

We present in-vitro sensing of glucose using a newly developed efficient optical fiber glucose sensor based on a Compound Parabolic Concentrator (CPC) tipped polymer optical fiber (POF). A batch of 9 CPC tipped POF sensors with a 35 mm fiber length is shown to have an enhanced fluorescence pickup...... efficiency with an average increment factor of 1.7 as compared to standard POF sensors with a plane cut fiber tip. Invitro measurements for two glucose concentrations (40 and 400 mg/dL) confirm that the CPC tipped sensors efficiently can detect both glucose concentrations. it sets the footnote at the bottom...

Prediction of Positions of Active Compounds Makes It Possible To Increase Activity in Fragment-Based Drug Development

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Yoshifumi Fukunishi

2011-05-01

Full Text Available We have developed a computational method that predicts the positions of active compounds, making it possible to increase activity as a fragment evolution strategy. We refer to the positions of these compounds as the active position. When an active fragment compound is found, the following lead generation process is performed, primarily to increase activity. In the current method, to predict the location of the active position, hydrogen atoms are replaced by small side chains, generating virtual compounds. These virtual compounds are docked to a target protein, and the docking scores (affinities are examined. The hydrogen atom that gives the virtual compound with good affinity should correspond to the active position and it should be replaced to generate a lead compound. This method was found to work well, with the prediction of the active position being 2 times more efficient than random synthesis. In the current study, 15 examples of lead generation were examined. The probability of finding active positions among all hydrogen atoms was 26%, and the current method accurately predicted 60% of the active positions.

Phenolic compounds and antioxidant activity of edible flowers

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Marta Natalia Skrajda

2017-08-01

Full Text Available Introduction: Edible flowers has been used for thousands of years. They increase aesthetic appearance of food, but more often they are mentioned in connection with biologically active substances. The main ingredient of the flowers is water, which accounts for more than 80%. In small amounts, there are also proteins, fat, carbohydrates, fiber and minerals. Bioactive substances such as carotenoids and phenolic compounds determine the functional properties of edible flowers. Aim: The aim of this work was to characterize the phenolic compounds found in edible flowers and compare their antioxidant activity. Results: This review summarizes current knowledge about the usage of edible flowers for human nutrition. The work describes the antioxidant activity and phenolic compounds of some edible flowers. Based on literature data there is a significant difference both in content of phenolic compounds and antioxidant activity between edible flowers. These difference reaches up to 3075-fold in case of antioxidant potential. Among described edible flowers the most distinguishable are roses, peonies, osmanthus fragans and sambuco nero. Conclusions: Edible flowers are the new source of nutraceuticals due to nutritional and antioxidant values.

Antioxidant Activity of Phenolic Compounds from Fava Bean Sprouts.

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Okumura, Koharu; Hosoya, Takahiro; Kawarazaki, Kai; Izawa, Norihiko; Kumazawa, Shigenori

2016-06-01

Fava beans are eaten all over the world and recently, marketing for their sprouts began in Japan. Fava bean sprouts contain more polyphenols and l-3,4-dihydroxyphenylalanine (l-DOPA) than the bean itself. Our antioxidant screening program has shown that fava bean sprouts also possess a higher antioxidant activity than other commercially available sprouts and mature beans. However, the individual constituents of fava bean sprouts are not entirely known. In the present study, we investigated the phenolic compounds of fava bean sprouts and their antioxidant activity. Air-dried fava bean sprouts were treated with 80% methanol and the extract was partitioned in water with chloroform and ethyl acetate. HPLC analysis had shown that the ethyl acetate-soluble parts contained phenolic compounds, separated by preparative HPLC to yield 5 compounds (1-5). Structural analysis using NMR and MS revealed that the compounds isolated were kaempferol glycosides. All isolated compounds had an α-rhamnose at the C-7 position with different sugars attached at the C-3 position. Compounds 1-5 had β-galactose, β-glucose, α-rhamnose, 6-acetyl-β-galactose and 6-acetyl-β-glucose, respectively, at the C-3 position. The amount of l-DOPA in fava bean sprouts was determined by the quantitative (1) H NMR technique. The l-DOPA content was 550.45 mg ± 11.34 /100 g of the raw sprouts. The antioxidant activities of compounds 2-5 and l-DOPA were evaluated using the 2,2-diphenyl-1-picrylhydrazyl scavenging assay. l-DOPA showed high antioxidant activity, but the isolated kaempferol glycosides showed weak activity. Therefore, it can be suggested that l-DOPA contributed to the antioxidant activity of fava bean sprouts. © 2016 Institute of Food Technologists®

Simultaneous Activation of Iron- and Thiol-Based Sensor-Regulator Systems by Redox-Active Compounds.

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Lee, Kang-Lok; Yoo, Ji-Sun; Oh, Gyeong-Seok; Singh, Atul K; Roe, Jung-Hye

2017-01-01

Bacteria in natural habitats are exposed to myriad redox-active compounds (RACs), which include producers of reactive oxygen species (ROS) and reactive electrophile species (RES) that alkylate or oxidize thiols. RACs can induce oxidative stress in cells and activate response pathways by modulating the activity of sensitive regulators. However, the effect of a certain compound on the cell has been investigated primarily with respect to a specific regulatory pathway. Since a single compound can exert multiple chemical effects in the cell, its effect can be better understood by time-course monitoring of multiple sensitive regulatory pathways that the compound induces. We investigated the effect of representative RACs by monitoring the activity of three sensor-regulators in the model actinobacterium Streptomyces coelicolor ; SoxR that senses reactive compounds directly through oxidation of its [2Fe-2S] cluster, CatR/PerR that senses peroxides through bound iron, and an anti-sigma factor RsrA that senses RES via disulfide formation. The time course and magnitude of induction of their target transcripts were monitored to predict the chemical activities of each compound in S. coelicolor . Phenazine methosulfate (PMS) was found to be an effective RAC that directly activated SoxR and an effective ROS-producer that induced CatR/PerR with little thiol-perturbing activity. p -Benzoquinone was an effective RAC that directly activated SoxR, with slower ROS-producing activity, and an effective RES that induced the RsrA-SigR system. Plumbagin was an effective RAC that activated SoxR, an effective ROS-producer, and a less agile but effective RES. Diamide was an RES that effectively formed disulfides and a weak RAC that activated SoxR. Monobromobimane was a moderately effective RES and a slow producer of ROS. Interestingly, benzoquinone induced the SigR system by forming adducts on cysteine thiols in RsrA, revealing a new pathway to modulate RsrA activity. Overall, this study showed

Measurement of optical activity of honey bee

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Ortiz-Gutiérrez, Mauricio; Olivares-Pérez, Arturo; Salgado-Verduzco, Marco Antonio; Ibarra-Torres, Juan Carlos

2016-03-01

Optical activity of some substances, such as chiral molecules, often exhibits circular birefringence. Circular birefringence causes rotation of the vibration plane of the plane polarized light as it passes through the substance. In this work we present optical characterization of honey as function of the optical activity when it is placed in a polariscope that consists of a light source and properly arranged polarizing elements.

Antioxidative Activities and Active Compounds of Extracts from Catalpa Plant Leaves

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Hongyu Xu

2014-01-01

Full Text Available In order to screen the Catalpa plant with high antioxidant activity and confirm the corresponding active fractions from Catalpa ovata G. Don, C. fargesii Bur., and C. bungei C. A. Mey., total flavonoid contents and antioxidant activities of the extracts/fractions of Catalpa plant leaves were determined. The determined total flavonoid content and antioxidant activity were used as assessment criteria. Those compounds with antioxidant activity were isolated with silica gel column chromatography and ODS column chromatography. Our results showed that the total flavonoid content in C. bungei C. A. Mey. (30.07 mg/g·DW was the highest, followed by those in C. fargesii Bur. (25.55 mg/g·DW and C. ovata G. Don (24.96 mg/g·DW. According to the determination results of total flavonoid content and antioxidant activity in 3 clones of leaves of C. bungei C. A. Mey., the total flavonoid content and antioxidant activity in crude extracts from C. bungei C. A. Mey. 6 (CA6 leaves were the highest. Moreover, the results showed that the total flavonoid content and antioxidant activities of ethyl acetate (EA fraction in ethanol crude extracts in CA6 leaves were the highest, followed by n-butanol, petroleum ether (PE, and water fractions. Two flavonoid compounds with antioxidant activity were firstly isolated based on EA fraction. The two compounds were luteolin (1 and apigenin (2, respectively.

Ball-milled nano-colloids of rare-earth compounds as liquid gain media for capillary optical amplifiers and lasers

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Patel, Darayas; Blockmon, Avery; Ochieng, Vanesa; Lewis, Ashley; Wright, Donald M.; Lewis, Danielle; Valentine, Rueben; Valentine, Maucus; Wesley, Dennis; Sarkisov, Sergey S.; Darwish, Abdalla M.; Sarkisov, Avedik S.

2017-02-01

Nano-colloids and nano-crystals doped with ions of rare-earth elements have recently attracted a lot of attention in the scientific community due to their potential applications as biomarkers, fluorescent inks, gain media for lasers and optical amplifiers. Many rare-earth doped materials of different compositions, shapes and size distribution have been prepared by different synthetic methods, such as chemical vapor deposition, sol-gel process, micro-emulsion techniques, gas phase condensation methods, hydrothermal methods and laser ablation. In this paper micro-crystalline powder of the rare-earthdoped compound NaYF4:Yb3+, Er3+ was synthesized using a simple wet process followed by baking in open air. Under 980 nm diode laser excitation strong fluorescence in the 100 nm band around 1531-nm peak was observed from the synthesized micro-powder. The micro-powder was pulverized using a ball mill and prepared in the form of nano-colloids in different liquids. The particle size of the obtained nano-colloids was measured using an atomic force microscope and a dynamic light scatterometer. The size of the nano-particles was close to 100-nm. The nano-colloids were utilized as a filling media in capillary optical amplifiers and lasers. The gain of a 7-cm-long capillary optical amplifier (150-micron inner diameter) was as high as 6 dB at 200 mW pump power. The synthesized nano-colloids and the active optical components using them can be potentially used in optical communication, signal processing, optical computing, and other applications.

Aerobic biodegradation of organotin compounds in activated sludge batch reactors

Energy Technology Data Exchange (ETDEWEB)

Stasinakis, Athanasios S. [Department of Environmental Studies, Water and Air Quality Laboratory, University of the Aegean, University Hill, Mytilene 81 100 (Greece)]. E-mail: astas@env.aegean.gr; Thomaidis, Nikolaos S. [Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Zografou, Athens 157 71 (Greece); Nikolaou, Anastasia [Department of Environmental Studies, Water and Air Quality Laboratory, University of the Aegean, University Hill, Mytilene 81 100 (Greece); Kantifes, Andreas [Department of Environmental Studies, Water and Air Quality Laboratory, University of the Aegean, University Hill, Mytilene 81 100 (Greece)

2005-04-01

The biodegradation behavior of four organotin (OT) compounds, namely tributyltin (TBT), dibutyltin (DBT), monobutyltin (MBT) and triphenyltin (TPhT), was studied in lab-scale activated sludge batch reactors. The activated sludge was spiked with the OT compounds at a level of 100 {mu}g l{sup -1} as Sn. Determination of the OT compounds by GC-FPD after ethylation in the dissolved and particulate phase revealed that 24 h after the start of the experiments, almost the total of OT compounds has been removed from the dissolved phase and is associated with the suspended solids. Calculation of mass balance in batch reactors showed that OT compounds biodegradation was performed via a sequential dealkylation process. Removals due to biodegradation were differentiated according to the parent compound. In experiments with non-acclimatized biomass, a percentage of 27.1, 8.3, 73.8 and 51.3 was still present as TBT, DBT, MBT and TPhT, respectively, at the end of the experiment (18th day). Half-lives (t{sub 1/2}) of 10.2 and 5.1 days were calculated for TBT and DBT, respectively, whereas apparent t{sub 1/2} values could not be determined for MBT and TPhT (t{sub 1/2} > 18 days). The capacity of activated sludge to biodegrade OT compounds in the absence of supplemental substrate indicated that these compounds can be metabolized as single sources of carbon and energy in activated sludge systems. Excluding TBT, the presence of low concentrations of supplemental substrate did not affect the biodegradation potential of activated sludge. The acclimatization of biomass on OT compounds enhanced significantly biodegradation, resulting in significant decreases of half-lives of OT compounds. As a result in the presence of acclimatized biomass, half-lives of 1.4, 3.6, 9.8 and 5.0 days were calculated for TBT, DBT, MBT and TPhT, respectively. - The fate of organotins is assessed in activated sludge systems.

Aerobic biodegradation of organotin compounds in activated sludge batch reactors

International Nuclear Information System (INIS)

Stasinakis, Athanasios S.; Thomaidis, Nikolaos S.; Nikolaou, Anastasia; Kantifes, Andreas

2005-01-01

The biodegradation behavior of four organotin (OT) compounds, namely tributyltin (TBT), dibutyltin (DBT), monobutyltin (MBT) and triphenyltin (TPhT), was studied in lab-scale activated sludge batch reactors. The activated sludge was spiked with the OT compounds at a level of 100 μg l -1 as Sn. Determination of the OT compounds by GC-FPD after ethylation in the dissolved and particulate phase revealed that 24 h after the start of the experiments, almost the total of OT compounds has been removed from the dissolved phase and is associated with the suspended solids. Calculation of mass balance in batch reactors showed that OT compounds biodegradation was performed via a sequential dealkylation process. Removals due to biodegradation were differentiated according to the parent compound. In experiments with non-acclimatized biomass, a percentage of 27.1, 8.3, 73.8 and 51.3 was still present as TBT, DBT, MBT and TPhT, respectively, at the end of the experiment (18th day). Half-lives (t 1/2 ) of 10.2 and 5.1 days were calculated for TBT and DBT, respectively, whereas apparent t 1/2 values could not be determined for MBT and TPhT (t 1/2 > 18 days). The capacity of activated sludge to biodegrade OT compounds in the absence of supplemental substrate indicated that these compounds can be metabolized as single sources of carbon and energy in activated sludge systems. Excluding TBT, the presence of low concentrations of supplemental substrate did not affect the biodegradation potential of activated sludge. The acclimatization of biomass on OT compounds enhanced significantly biodegradation, resulting in significant decreases of half-lives of OT compounds. As a result in the presence of acclimatized biomass, half-lives of 1.4, 3.6, 9.8 and 5.0 days were calculated for TBT, DBT, MBT and TPhT, respectively. - The fate of organotins is assessed in activated sludge systems

The mast cell degranulator compound 48/80 directly activates neurons.

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Michael Schemann

Full Text Available BACKGROUND: Compound 48/80 is widely used in animal and tissue models as a "selective" mast cell activator. With this study we demonstrate that compound 48/80 also directly activates enteric neurons and visceral afferents. METHODOLOGY/PRINCIPAL FINDINGS: We used in vivo recordings from extrinsic intestinal afferents together with Ca(++ imaging from primary cultures of DRG and nodose neurons. Enteric neuronal activation was examined by Ca(++ and voltage sensitive dye imaging in isolated gut preparations and primary cultures of enteric neurons. Intraluminal application of compound 48/80 evoked marked afferent firing which desensitized on subsequent administration. In egg albumen-sensitized animals, intraluminal antigen evoked a similar pattern of afferent activation which also desensitized on subsequent exposure to antigen. In cross-desensitization experiments prior administration of compound 48/80 failed to influence the mast cell mediated response. Application of 1 and 10 µg/ml compound 48/80 evoked spike discharge and Ca(++ transients in enteric neurons. The same nerve activating effect was observed in primary cultures of DRG and nodose ganglion cells. Enteric neuron cultures were devoid of mast cells confirmed by negative staining for c-kit or toluidine blue. In addition, in cultured enteric neurons the excitatory action of compound 48/80 was preserved in the presence of histamine H(1 and H(2 antagonists. The mast cell stabilizer cromolyn attenuated compound 48/80 and nicotine evoked Ca(++ transients in mast cell-free enteric neuron cultures. CONCLUSIONS/SIGNIFICANCE: The results showed direct excitatory action of compound 48/80 on enteric neurons and visceral afferents. Therefore, functional changes measured in tissue or animal models may involve a mast cell independent effect of compound 48/80 and cromolyn.

Anti-cancer activity of compounds from Bauhinia strychnifolia stem.

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Yuenyongsawad, Supreeya; Bunluepuech, Kingkan; Wattanapiromsakul, Chatchai; Tewtrakul, Supinya

2013-11-25

The stem and root of Bauhinia strychnifolia Craib (Fabaceae family) have been traditionally used in Thailand to treat fever, alcoholic toxication, allergy and cancer. An EtOH extract of Bauhinia strychnifolia showed good inhibitory activity against several cancer cell lines including HT-29, HeLa, MCF-7 and KB. As there has been no previous reports on chemical constituents of Bauhinia strychnifolia, this study is aimed to isolate the pure compounds with anti-cancer activity. Five pure compounds were isolated from EtOH extract of Bauhinia strychnifolia stem using silica gel, dianion HP-20 and sephadex LH-20 column chromatography and were tested for their cytotoxic effects against HT-29, HeLa, MCF-7 and KB cell lines using the Sulforhodamine B (SRB) assay. Among five compounds, 3,5,7,3',5'-pentahydroxyflavanonol-3-O-α-l-rhamnopyranoside (2) possessed very potent activity against KB (IC₅₀=0.00054μg/mL), HT-29 (IC₅₀=0.00217 μg/mL), MCF-7 (IC₅₀=0.0585 μg/mL) and HeLa cells (IC₅₀=0.0692 μg/mL). 3,5,7-Trihydroxychromone-3-O-α-l-rhamnopyranoside (3) also showed good activity against HT-29 (IC₅₀=0.02366 μg/mL), KB (IC₅₀=0.0412 μg/mL) and MCF-7 (IC₅₀=0.297 μg/mL), respectively. The activity of 2 (IC₅₀=0.00054 μg/mL) against KB cell was ten times higher than that of the positive control, Camptothecin (anti-cancer drug, IC₅₀=0.0057 μg/mL). All compounds did not show any cytotoxicity with normal cells at the concentration of 1 μg/mL. This is the first report of compounds 2 and 3 on anti-cancer activity and based on the anti-cancer activity of extracts and pure compounds isolated from Bauhinia strychnifolia stem, it might be suggested that this plant could be useful for treatment of cancer. © 2013 Elsevier Ireland Ltd. All rights reserved.

Optical activity and ultraviolet absorbance detection of dansyl L-amino acids separated by gradient liquid chromatography

Energy Technology Data Exchange (ETDEWEB)

1987-04-01

Many scientific investigations (e.g., geochronology, pharmaceuticals) have the need to determine enantiometric ratios of amino acids and other compounds. It has been reported that OA/UV or OA/RI (refractive index) are ideal methods for the determination of enantiomeric ratios without the need for chiral columns, chiral eluents, or diasteromer preparation. Unfortunately, only three amino acids are naturally UV absorbing (254 nm), and RI sensitivity for amino acids is low. Derivatization by several methods (o-phthalaldehyde, dansyl, phenylisothiocyanate, fluorescamine, 2,4-dinitrofluorobenzene, and phenylthiohydantoin) renders all amino acids UV absorbing and makes UV or fluorescence viable techniques for amino acids determinations. A previously neglected aspect of derivatization is the effect on optical activity. These highly polar groups influence the chiral center of amino acids drastically (electronic and steric effects). The shifting of the absorption band to the proximity of the wavelength used for OA measurements further enhances the importance of the substituent. The authors report here the determination of 17 dansyl amino acids in a mixture by UV absorbance and optical activity. This involves gradient elution. Previously, the optical activity detector (OAD) has been used only with isocratic HPLC.

Effective anti-leishmanial activity of minimalist squaramide-based compounds.

Science.gov (United States)

Marín, Clotilde; Ximenis, Marta; Ramirez-Macías, Inmaculada; Rotger, Carmen; Urbanova, Kristina; Olmo, Francisco; Martín-Escolano, Rubén; Rosales, María José; Cañas, Rocio; Gutierrez-Sánchez, Ramón; Costa, Antonio; Sánchez-Moreno, Manuel

2016-11-01

In order to evaluate the in vitro leishmanicidal activity of N,N'-Squaramides derivatives, compounds that feature both hydrogen bond donor and acceptor groups and are capable of multiple interactions with complementary sites, against Leishmania infantum, Leishmania braziliensis and Leishmania donovani a series of 18compounds was prepared and assayed on extracellular and intracellular parasite forms. Infectivity and cytotoxicity tests were performed on J774.2 macrophage cells using meglumine antimoniate (Glucantime) as the reference drug. Changes in metabolite excretion by 1 H-NMR and the ultrastructural alterations occurring in the parasites treated using transmission electron microscopy (TEM), was analyzed. Compounds 1, 7, 11, 14 and 17 were the more active and less toxic. Infection rates showed that the order of effectiveness was 17 > 11 > 14 > 7 for both L. infantum and L. braziliensis and in the same way, the compound 1 for L. donovani. All these compounds have altered the typical structure of the promastigotes, glycosomes and mitochondria. These severe modifications by the compounds are the ultimate reasons for the alterations observed in the excretion products. The Squaramide 17 (3-(butylamino)-4-((3-(dimetilamino)propyl)(methyl)amino)cyclobut-3-en-1,2-dione) was clearly the most efficient of all compounds. The data appear to confirm that the severe modifications generated in organelles such as glycosomes or mitochondria by the compounds are the ultimate reasons for the alterations observed in the excretion products of all species. The activity, stability, low cost of starting materials, and straightforward synthesis make amino squaramides appropriate molecules for the development of an affordable anti-leishmanial agent. Copyright © 2016. Published by Elsevier Inc.

Benzimidazoles: A biologically active compounds

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Salahuddin

2017-02-01

Full Text Available Synthesis of commercially available benzimidazole involves condensation of o-phenylenediamine with formic acid. The most prominent benzimidazole compound in nature is N-riosyldimethylbenzimidazole, which serves as a axial ligand for cobalt in vitamin B12. The benzimidazole and its derivatives play a very important role as a therapeutic agent e.g. antiulcer and anthelmintic drugs. Apart from this the benzimidazole derivatives exhibit pharmacological activities such as antimicrobial, antiviral, anticancer, anti-inflammatory, analgesic, etc. The substituted benzimidazoles are summarized in this review to know about the chemistry as well as pharmacological activities.

Antileishmanial activities of dihydrochalcones from piper elongatum and synthetic related compounds. Structural requirements for activity.

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Hermoso, Alicia; Jiménez, Ignacio A; Mamani, Zulma A; Bazzocchi, Isabel L; Piñero, José E; Ravelo, Angel G; Valladares, Basilio

2003-09-01

Two dihydrochalcones (1 and 2) were isolated from Piper elongatum Vahl by activity-guided fractionation against extracellular promastigotes of Leishmania braziliensis in vitro. Their structures were elucidated by spectral analysis, including homonuclear and heteronuclear correlation NMR experiments. Derivatives 3-7 and 20 synthetic related compounds (8-27) were also assayed to establish the structural requirements for antileishmanial activity. Compounds 1-11 that proved to be more active that ketoconazol, used as positive control, were further assayed against promastigotes of Leishmania tropica and Leishmania infantum. Compounds 7 and 11, with a C(6)-C(3)-C(6) system, proved to be the most promising compounds, with IC(50) values of 2.98 and 3.65 microg/mL, respectively, and exhibited no toxic effect on macrophages (around 90% viability). Correlation between the molecular structures and antileishmanial activity is discussed in detail.

Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

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Sudhakara Rao Gerapati

2015-09-01

Full Text Available Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated for anticonvulsant activity. Their structures have been elucidated on the basis of elemental analyses and spectroscopic studies (IR, 1H-NMR & Mass spectroscopy. A preliminary evaluation of the prepared compounds has indicated that some of them exhibit moderate to significant anticonvulsant activity compared to a diazepam standard1-3.  All compounds were tested for their anticonvulsant activity using maximal electroshock induced convulsions (MES in mice at a dose level of 4 mg/kg.b.w. The compounds  Ph1, Ph2 , Py2 ,Py3 and Py4 have shown  to  good anticonvulsant activity when doses are administered as 25mg/ kg.b.w  , reduced the phases of seizures severity and  found to be active and also  increased survival rate. Remaining compounds are less efficacious.

Odour-active compounds in guava (Psidium guajava L. cv. Red Suprema).

Science.gov (United States)

Pino, Jorge A; Bent, Leandra

2013-09-01

Solid phase microextraction and simultaneous distillation-extraction combined with GC-FID, GC/MS, aroma extract dilution analysis and odour activity values were used to analyse volatile compounds from guava (Psidium guajava L. cv. Red Suprema) and to estimate the most odour-active compounds. The analysis led to the detection of 141 compounds, 121 of which were positively identified. The composition of guava fruit volatiles included 43 esters, 37 terpenes, 18 aldehydes, 16 alcohols, ten acids, six ketones, four furans and seven miscellaneous compounds. Seventeen odorants were considered as odour-active compounds, with (E)-β-ionone, ethyl hexanoate, ethyl butanoate, hexanal, (Z)-3-hexenal, hexyl acetate, (E)-2-hexenal and limonene contributing most to the typical guava aroma of this cultivar. © 2013 Society of Chemical Industry.

Taste-active compounds in a traditional Italian food: 'lampascioni'.

Science.gov (United States)

Borgonovo, Gigliola; Caimi, Sara; Morini, Gabriella; Scaglioni, Leonardo; Bassoli, Angela

2008-06-01

Nature is a rich source of taste-active compounds, in particular of plant origin, many of which have unusual tastes. Many of these are found in traditional food, where spontaneous plants are used as ingredients. Some taste-active compounds were identified in the bulbs of Muscari comosum, a spontaneous plant belonging to the family of the Liliaceae, very common in the Mediterranean area, and used in traditional gastronomy (called 'lampascioni' in South Italy). The bulbs were extracted with a series of solvents of different polarity. The different fractions were submitted to a preliminary sensory evaluation, and the most interesting ones, characterized by a strong bitter taste and some chemestetic properties, were submitted to further purification and structural analysis. From the ethereal extract, several 3-benzyl-4-chromanones and one stilbene derivative were isolated. Pure compounds were examined for their taste activity by means of sensory evaluation, and proved to be responsible for the characteristic taste of this food. Some of these compounds have been synthesized de novo to confirm their structure.

Aspartate and glutamate mimetic structures in biologically active compounds.

Science.gov (United States)

Stefanic, Peter; Dolenc, Marija Sollner

2004-04-01

Glutamate and aspartate are frequently recognized as key structural elements for the biological activity of natural peptides and synthetic compounds. The acidic side-chain functionality of both the amino acids provides the basis for the ionic interaction and subsequent molecular recognition by specific receptor sites that results in the regulation of physiological or pathophysiological processes in the organism. In the development of new biologically active compounds that possess the ability to modulate these processes, compounds offering the same type of interactions are being designed. Thus, using a peptidomimetic design approach, glutamate and aspartate mimetics are incorporated into the structure of final biologically active compounds. This review covers different bioisosteric replacements of carboxylic acid alone, as well as mimetics of the whole amino acid structure. Amino acid analogs presented include those with different distances between anionic moieties, and analogs with additional functional groups that result in conformational restriction or alternative interaction sites. The article also provides an overview of different cyclic structures, including various cycloalkane, bicyclic and heterocyclic analogs, that lead to conformational restriction. Higher di- and tripeptide mimetics in which carboxylic acid functionality is incorporated into larger molecules are also reviewed. In addition to the mimetic structures presented, emphasis in this article is placed on their steric and electronic properties. These mimetics constitute a useful pool of fragments in the design of new biologically active compounds, particularly in the field of RGD mimetics and excitatory amino acid agonists and antagonists.

Transformation of saturated nitrogen-containing heterocyclic compounds by microorganisms.

Science.gov (United States)

Parshikov, Igor A; Silva, Eliane O; Furtado, Niege A J C

2014-02-01

The saturated nitrogen-containing heterocyclic compounds include many drugs and compounds that may be used as synthons for the synthesis of other pharmacologically active substances. The need for new derivatives of saturated nitrogen-containing heterocycles for organic synthesis, biotechnology and the pharmaceutical industry, including optically active derivatives, has increased interest in microbial synthesis. This review provides an overview of microbial technologies that can be valuable to produce new derivatives of saturated nitrogen-containing heterocycles, including hydroxylated derivatives. The chemo-, regio- and enantioselectivity of microbial processes can be indispensable for the synthesis of new compounds. Microbial processes carried out with fungi, including Beauveria bassiana, Cunninghamella verticillata, Penicillium simplicissimum, Aspergillus niger and Saccharomyces cerevisiae, and bacteria, including Pseudomonas sp., Sphingomonas sp. and Rhodococcus erythropolis, biotransform many substrates efficiently. Among the biological activities of saturated nitrogen-containing heterocyclic compounds are antimicrobial, antitumor, antihypertensive and anti-HIV activities; some derivatives are effective for the treatment and prevention of malaria and trypanosomiasis, and others are potent glycosidase inhibitors.

Optical sensing method to analyze germination rate of Capsicum annum seeds treated with growth-promoting chemical compounds using optical coherence tomography

Science.gov (United States)

Wijesinghe, Ruchire Eranga; Lee, Seung-Yeol; Kim, Pilun; Jung, Hee-Young; Jeon, Mansik; Kim, Jeehyun

2017-09-01

Seed germination rate differs based on chemical treatments, and nondestructive measurements of germination rate have become an essential requirement in the field of agriculture. Seed scientists and other biologists are interested in optical sensing technologies-based biological discoveries due to nondestructive detection capability. Optical coherence tomography (OCT) has recently emerged as a powerful method for biological and plant material discoveries. We report an extended application of OCT by monitoring the germination rate acceleration of chemically primed seeds. To validate the versatility of the method, Capsicum annum seeds were primed using three chemical compounds: sterile distilled water (SDW), butandiol, and 1-hexadecene. Monitoring was performed using a 1310-nm swept source OCT system. The results confirmed more rapid morphological variations in the seeds treated with 1-hexadecene medium than the seeds treated with SDW and butandiol within 8 consecutive days. In addition, fresh weight measurements (gold standard) of seeds were monitored for 15 days, and the obtained results were correlated with the OCT results. Thus, such a method can be used in various agricultural fields, and OCT shows potential as a rigorous sensing method for selecting the optimal plant growth-promoting chemical compounds rapidly, when compared with the gold standard methods.

Glucosidase inhibitory activity and antioxidant activity of flavonoid compound and triterpenoid compound from Agrimonia Pilosa Ledeb.

Science.gov (United States)

Liu, Xi; Zhu, Liancai; Tan, Jun; Zhou, Xuemei; Xiao, Ling; Yang, Xian; Wang, Bochu

2014-01-10

In Chinese traditional medicine, Agrimonia pilosa Ledeb (APL) exhibits great effect on treatment of type 2 diabetes mellitus (T2DM), however its mechanism is still unknown. Considering that T2DM are correlated with postprandial hyperglycemia and oxidative stress, we investigated the α-glucosidase inhibitory activity and the antioxidant activity of flavonoid compound (FC) and triterpenoid compound (TC) from APL. Entire plants of APL were extracted using 95% ethanol and 50% ethanol successively. The resulting extracts were partitioned and isolated by applying liquid chromatography using silica gel column and Sephadex LH 20 column to give FC and TC. The content of total flavonoids in FC and the content of total triterpenoids in TC were determined by using UV spectrophotometry. HPLC analysis was used to identify and quantify the monomeric compound in FC and TC. The α-glucosidase inhibitory activities were determined using the chromogenic method with p-nitrophenyl-α-D-glucopyranoside as substrate. Antioxidant activities were assessed through three kinds of radical scavenging assays (DPPH radical, ABTS radical and hydroxyl radical) & β-carotene-linoleic acid assay. The results indicate FC is abundant of quercitrin, and hyperoside, and TC is abundant of 1β, 2β, 3β, 19α-tetrahydroxy-12-en-28-oic acid (265.2 mg/g) and corosolic acid (100.9 mg/g). The FC & the TC have strong α-glucosidase inhibitory activities with IC50 of 8.72 μg/mL and 3.67 μg/mL, respectively. We find that FC show competitive inhibition against α-glucosidase, while the TC exhibits noncompetitive inhibition. Furthermore, The FC exhibits significant radical scavenging activity with the EC50 values of 7.73 μg/mL, 3.64 μg/mL and 5.90 μg/mL on DPPH radical, hydroxyl radical and ABTS radical, respectively. The FC also shows moderate anti-lipid peroxidation activity with the IC50 values of 41.77 μg/mL on inhibiting β-carotene bleaching. These results imply that the FC and the TC could be

Fast incorporation of optical flow into active polygons.

Science.gov (United States)

Unal, Gozde; Krim, Hamid; Yezzi, Anthony

2005-06-01

In this paper, we first reconsider, in a different light, the addition of a prediction step to active contour-based visual tracking using an optical flow and clarify the local computation of the latter along the boundaries of continuous active contours with appropriate regularizers. We subsequently detail our contribution of computing an optical flow-based prediction step directly from the parameters of an active polygon, and of exploiting it in object tracking. This is in contrast to an explicitly separate computation of the optical flow and its ad hoc application. It also provides an inherent regularization effect resulting from integrating measurements along polygon edges. As a result, we completely avoid the need of adding ad hoc regularizing terms to the optical flow computations, and the inevitably arbitrary associated weighting parameters. This direct integration of optical flow into the active polygon framework distinguishes this technique from most previous contour-based approaches, where regularization terms are theoretically, as well as practically, essential. The greater robustness and speed due to a reduced number of parameters of this technique are additional and appealing features.

Identification and Profiling of Active Compounds from Golden Apple Snail’s Egg Pigments

Directory of Open Access Journals (Sweden)

Asadatun Abdullah

2017-08-01

Full Text Available Golden apple snail (Pomacea canaliculata has been known as rice corps pest due to high adaptability and reproductive power. Utilization of Pomacea canaliculata’s eggs as raw materials in the food and health industry is one of the efforts to eradicate the pest snail. This study was aimed to identify the active compounds contained in the extract pigments of Pomacea canaliculata’s eggs. The methods of this study were extraction of pigments using acetone and methanol, analyzing the active compound (secondary metabolite qualitatively, TLC to determine pigment components and LC-MS/MS to identify active compounds semi quantitatively. The results showed that active compounds in the methanol extract contain 11 carotenoid pigments of xanthophyl group, two carotenoid pigments of carotene group, and 2 active compounds in nonpigmented form, whereas the acetone extract contain 11 pigmentcarotenoids of xanthophyl group and 2 compounds active in non-pigment form.

3D-printed optical active components

Science.gov (United States)

Suresh Nair, S.; Nuding, J.; Heinrich, A.

2018-02-01

Additive Manufacturing (AM) has the potential to become a powerful tool in the realization of complex optical components. The primary advantage that meets the eye, is that fabrication of geometrically complicated optical structures is made easier in AM as compared to the conventional fabrication methods (using molds for instance). But this is not the only degree of freedom that AM has to offer. With the multitude of materials suitable for AM in the market, it is possible to introduce functionality into the components one step before fabrication: by altering the raw material. A passive example would be to use materials with varying properties together, in a single manufacturing step, constructing samples with localized refractive indices for instance. An active approach is to blend in materials with distinct properties into the photopolymer resin and manufacturing with this composite material. Our research is currently focused in this direction, with the desired optical property to be introduced being Photoluminescence. Formation of nanocomposite mixtures to produce samples is the current approach. With this endeavor, new sensor systems can be realized, which may be used to measure the absorption spectra of biological samples. Thereby the sample compartment, the optics and the spectral light source (different quantum dots) are 3D-printed in one run. This component can be individually adapted to the biological sample with respect to wavelength, optical and mechanical properties. Here we would like to present our work on the additive manufacturing of an active optical component. Based on the stereolithography method, a monolithic optical component was 3D-printed, showing light emission at different defined wavelengths due to UV excited quantum dots inside the 3D-printed optics.

Isolation and Antimicrobial Activity of Flavonoid Compounds from Mahagony Seeds (Swietenia macrophylla, King)

Science.gov (United States)

Mursiti, S.; Supartono

2017-02-01

Flavonoid is one of the secondary metabolites compounds in mahogany seeds. Mahogany seeds can be used as an antimicrobial. This study aims to determine the antimicrobial activity of flavonoid compounds from mahogany seeds against Escherichia coli (E.coli) and Bacillus cereus (B.cereus). Isolation of flavonoid compounds done step by step. First, the maceration using n-hexane, then with methanol. The methanol extract was dissolved in ethyl acetate and aquadest, then separated. Ethyl acetate extract evaporated Flavonoid compounds were. The testing of antimicrobial activity of flavonoid compounds using the absorption method. The results showed that the antimicrobial activity of flavonoid compounds from mahogany seeds shows the inhibitory activity and provide clear zone against bacteria E.coli with value Inhibitory Regional Diameter 18.50 mm respectively, and 14.50 mm to the bacteria. Based on the results of the study, it can be concluded that flavonoid compounds from mahogany seeds have antimicrobial activity against E.coli and B.cereus.

A Molecularly Imprinted Polymer on a Plasmonic Plastic Optical Fiber to Detect Perfluorinated Compounds in Water

Directory of Open Access Journals (Sweden)

Nunzio Cennamo

2018-06-01

Full Text Available A novel Molecularly Imprinted Polymer (MIP able to bind perfluorinated compounds, combined with a surface plasmon resonance (SPR optical fiber platform, is presented. The new MIP receptor has been deposited on a D-shaped plastic optical fiber (POF covered with a photoresist buffer layer and a thin gold film. The experimental results have shown that the developed SPR-POF-MIP sensor makes it possible to selectively detect the above compounds. In this work, we present the results obtained with perfluorooctanoate (PFOA compound, and they hold true when obtained with a perfluorinated alkylated substances (PFAs mixture sample. The sensor’s response is the same for PFOA, perfluorooctanesulfonate (PFOS or PFA contaminants in the C4–C11 range. We have also tested a sensor based on a non-imprinted polymer (NIP on the same SPR in a D-shaped POF platform. The limit of detection (LOD of the developed chemical sensor was 0.13 ppb. It is similar to the one obtained by the configuration based on a specific antibody for PFOA/PFOS exploiting the same SPR-POF platform, already reported in literature. The advantage of an MIP receptor is that it presents a better stability out of the native environment, very good reproducibility, low cost and, furthermore, it can be directly deposited on the gold layer, without modifying the metal surface by functionalizing procedures.

Effect of aromatic compounds on radiation resistance of polymers studied by optical emission

International Nuclear Information System (INIS)

Kawanishi, Shunichi; Hagiwara, Miyuki

1987-10-01

To clarify the effects of condensed bromoacenaphthylene (con-BACN) as a newly developed flame retardant on the radiation resistance of ethylene-propylene-diene-terpolymer (EPDM), optical emission behavior of aromatic compounds, acenaphthylene and acenaphthene as model compound of con-BACN was studied. The energy absorbed in polymer matrix is transferred to the aromatic molecules very fast within 1 ns, and introduces excited states of aromatic compound. The fluorescence from naphthalene units of the additives with peak at 337 and 350 nm (named AT emission band) was observed in EPDM containing acenaphthene or acenaphthylene. When aromatic peroxide was used as a crosslinking agent, another emission band (Xn band) was observed at 400 nm. It was found that these emission bands play a role in trapping sites in which a part of radiation energy release in the form of fluorescence. The energy level of the excited state was correlated to the radiation stability measured with coloration and oxidation reaction of the polymer. Furthermore, acenaphthylene having a reactive vinyl bond forms excimer emission band Ex whose level is lower than those of AT and Xn bands, and therefore, enhances radiation stability of matrix polymer by giving effective routes for energy release. (author)

THE ANTIBACTERIAL ACTIVITY OF WATER APPLE LEAVES ACTIVE COMPOUND (Syzygium zeylanicum AGAINST Escherichia coli AND Staphylococcus aureus

Directory of Open Access Journals (Sweden)

- Hamidah

2017-07-01

Full Text Available Escherichia coli is one of the bacteria that cause infections in the human digestive tract such as diarrhea, while Staphylococcus aureus is one of the bacteria that cause infections in the skin injury such as boils and pimples. This study used Syzygium zeylanicum leaves because it has potential as a antibacterial because it contains active compounds. This study aimed was determine the antibacterial activity of the fraction and the active compound in Syzygium zeylanicum leaves against Escherichia coli and Staphylococcus aureus. Research conducted on November 2015 to January 2016. The method used in this research were extraction by maceration, fractionation by liquid fractionation, antibacterial activity test, and determination of minimum inhibitory concentration with the diffusion method and isolation of active compounds by column chromatography method. The bacteria used in this test are Escherichia coli and Staphylococcus aureus. Data are presented in tabular form based on the average value of the inhibition diameter and deviation standard. The results of this research showed the water methanol active fraction against the bacteria that used in this test. The methanol water fraction had obtained one antibacterial compound in bottle 1,3,5 which shows the value of tannin Rf 0,416. The minimum inhibitory concentration of water methanol of water apple leaves is 1000 µg/mL for Escherichia coli and 500 µg/mL for  Staphylococcus aureus. The minimum  inhibitory concentration of the active  compound  to  Escherichia  coli  and  Staphylococcus  aureus  in  500  µg/mL.  The fraction and the active compound of water apple leaves have an antibacterial activity with Escherichia coli and Staphylococcus aureus and the active compound is tannin.

Optical XOR gate

Science.gov (United States)

Vawter, G. Allen

2013-11-12

An optical XOR gate is formed as a photonic integrated circuit (PIC) from two sets of optical waveguide devices on a substrate, with each set of the optical waveguide devices including an electroabsorption modulator electrically connected in series with a waveguide photodetector. The optical XOR gate utilizes two digital optical inputs to generate an XOR function digital optical output. The optical XOR gate can be formed from III-V compound semiconductor layers which are epitaxially deposited on a III-V compound semiconductor substrate, and operates at a wavelength in the range of 0.8-2.0 .mu.m.

Developmental toxicity of thyroid-active compounds in a zebrafish embryotoxicity test

NARCIS (Netherlands)

Jomaa, B.; Hermsen, S.A.B.; Kessels, M.Y.; Berg, van den J.H.J.; Peijenburg, A.C.M.; Aarts, J.M.M.J.G.; Piersma, A.H.; Rietjens, I.

2014-01-01

Zebrafish embryos were exposed to concentration ranges of selected thyroid-active model compounds in order to assess the applicability of zebrafish-based developmental scoring systems within an alternative testing strategy to detect the developmental toxicity of thyroid-active compounds. Model

Fluoroscopic screen which is optically homogeneous

International Nuclear Information System (INIS)

1975-01-01

A high efficiency fluoroscopic screen for X-ray examination consists of an optically homogeneous crystal plate of fluorescent material such as activated cesium iodide, supported on a transparent protective plate, with the edges of the assembly beveled and optically coupled to a light absorbing compound. The product is dressed to the desired thickness and provided with an X-ray-transparent light-opaque cover. (Auth.)

Relationship structure-antioxidant activity of hindered phenolic compounds

Directory of Open Access Journals (Sweden)

Weng, X. C.

2014-12-01

Full Text Available The relationship between the structure and the antioxidant activity of 21 hindered phenolic compounds was investigated by Rancimat and DPPH· tests. 3-tert-butyl-5-methylbenzene-1,2-diol is the strongest antioxidant in the Rancimat test but not in the DPPH· test because its two hydroxyl groups have very strong steric synergy. 2,6-Ditert-butyl-4-hydroxy-methylphenol exhibits a strong antioxidant activity as 2,6-ditertbutyl- 4-methoxyphenol does in lard. 2,6-Ditert-butyl-4- hydroxy-methylphenol also exhibits stronger activity than 2-tert-butyl-4- methoxyphenol. The methylene of 2,6-ditert-butyl-4-hydroxy-methylphenol can provide a hydrogen atom to active free radicals like a phenolic hydroxyl group does because it is greatly activated by both the aromatic ring and hydroxyl group. Five factors affect the antioxidant activities of the phenolic compounds: how stable the phenolic compound free radicals are after providing hydrogen atoms; how many hy drogen atoms each of the phenolic compounds can provide; how fast the phenolic compounds provide hydrogen atoms; how easily the phenolic compound free radicals can combine with more active free radicals, and whether or not a new antioxidant can form after the phenolic compound provides hydrogen atoms.La relación entre estructura y la actividad antioxidante de 21 compuestos fenólicos con impedimentos estéricos fue investigado mediante ensayos con Rancimat y DPPH·. El 3-terc-butil-5-metilbenceno-1,2-diol es el antioxidante más potente en los ensayos mediante Rancimat pero no mediante ensayos con DPPH·, porque sus dos grupos hidroxilo tienen una fuerte sinergia estérica. El 2,6-Di-terc-butil-4-hidroxi-metil-fenol mostró una actividad antioxidante tan fuerte como el 2,6-di-ter-butil-4-metoxifenol en ensayos con manteca de cerdo. El 2,6-di-terc-butil-4-hidroxi-metilfenol también mostró una actividad más fuerte que el 2-terc-butil-4-metoxifenol. El grupo metileno del 2,6-di-ter-butil-4-hidroxi

Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.

Science.gov (United States)

Paricharak, Shardul; IJzerman, Adriaan P; Jenkins, Jeremy L; Bender, Andreas; Nigsch, Florian

2016-09-26

Despite the usefulness of high-throughput screening (HTS) in drug discovery, for some systems, low assay throughput or high screening cost can prohibit the screening of large numbers of compounds. In such cases, iterative cycles of screening involving active learning (AL) are employed, creating the need for smaller "informer sets" that can be routinely screened to build predictive models for selecting compounds from the screening collection for follow-up screens. Here, we present a data-driven derivation of an informer compound set with improved predictivity of active compounds in HTS, and we validate its benefit over randomly selected training sets on 46 PubChem assays comprising at least 300,000 compounds and covering a wide range of assay biology. The informer compound set showed improvement in BEDROC(α = 100), PRAUC, and ROCAUC values averaged over all assays of 0.024, 0.014, and 0.016, respectively, compared to randomly selected training sets, all with paired t-test p-values agnostic fashion. This approach led to a consistent improvement in hit rates in follow-up screens without compromising scaffold retrieval. The informer set is adjustable in size depending on the number of compounds one intends to screen, as performance gains are realized for sets with more than 3,000 compounds, and this set is therefore applicable to a variety of situations. Finally, our results indicate that random sampling may not adequately cover descriptor space, drawing attention to the importance of the composition of the training set for predicting actives.

NASA's current activities in free space optical communications

Science.gov (United States)

Edwards, Bernard L.

2017-11-01

NASA and other space agencies around the world are currently developing free space optical communication systems for both space-to-ground links and space-to-space links. This paper provides an overview of NASA's current activities in free space optical communications with a focus on Near Earth applications. Activities to be discussed include the Lunar Laser Communication Demonstration, the Laser Communications Relay Demonstration, and the commercialization of the underlying technology. The paper will also briefly discuss ongoing efforts and studies for Deep Space optical communications. Finally the paper will discuss the development of international optical communication standards within the Consultative Committee for Space Data Systems.

First principles electronic structure and optical properties of the Zintl compound Eu3In2P4

KAUST Repository

Singh, Nirpendra; Schwingenschlö gl, Udo

2011-01-01

We have performed full-potential calculations of the electronic structure and optical properties of the newly found Zintl compound Eu3In 2P4. Eu3In2P4 turns out to be a small gap semiconductor with an energy gap of 0.42 eV, which is in agreement with the experimental value of 0.452 eV. The peaks of the optical spectra originate mainly from transitions between occupied Eu 4f states in the valence band and unoccupied Eu 5d states in the conduction band. A considerable anisotropy is observed for the parallel and perpendicular components in the frequency dependent optical spectra. The spectral features are explained in terms of the band structure. © 2011 Elsevier B.V. All rights reserved.

First principles electronic structure and optical properties of the Zintl compound Eu3In2P4

KAUST Repository

Singh, Nirpendra

2011-05-01

We have performed full-potential calculations of the electronic structure and optical properties of the newly found Zintl compound Eu3In 2P4. Eu3In2P4 turns out to be a small gap semiconductor with an energy gap of 0.42 eV, which is in agreement with the experimental value of 0.452 eV. The peaks of the optical spectra originate mainly from transitions between occupied Eu 4f states in the valence band and unoccupied Eu 5d states in the conduction band. A considerable anisotropy is observed for the parallel and perpendicular components in the frequency dependent optical spectra. The spectral features are explained in terms of the band structure. © 2011 Elsevier B.V. All rights reserved.

Refractive and diffractive neutron optics with reduced chromatic aberration

Energy Technology Data Exchange (ETDEWEB)

Poulsen, S.O., E-mail: stefan.poulsen@northwestern.edu [NEXMAP, Department of Physics, Technical University of Denmark, Anker Engelunds Vej 1, 2800 Kgs. Lyngby (Denmark); Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208 (United States); Poulsen, H.F. [NEXMAP, Department of Physics, Technical University of Denmark, Anker Engelunds Vej 1, 2800 Kgs. Lyngby (Denmark); Bentley, P.M. [European Spallation Source ESS AB, Box 176, 221 00 Lund (Sweden)

2014-12-11

Thermal neutron beams are an indispensable tool in physics research. The spatial and the temporal resolution attainable in experiments are dependent on the flux and collimation of the neutron beam which remain relatively poor, even for modern neutron sources. These difficulties may be mitigated by the use of optics for focusing and imaging. Refractive and diffractive optical elements, e.g. compound refractive lenses and Fresnel zone plates, are attractive due to their low cost, and simple alignment. These optical elements, however, suffer from chromatic aberration, which limit their effectiveness to highly monochromatic beams. This paper presents two novel concepts for focusing and imaging non-monochromatic thermal neutron beams with well-known optical elements: (1) a fast mechanical transfocator based on a compound refractive lens, which actively varies the number of individual lenses in the beam path to focus and image a time-of-flight beam, and (2) a passive optical element consisting of a compound refractive lens, and a Fresnel zone plate, which may focus and image both continuous and pulsed neutron beams.

Assessment of A Simple Compound-Saving Method To Study Insecticidal Activity of Natural Extracts and Pure Compounds Against Mosquito Larvae.

Science.gov (United States)

Falkowski, Michaël; Jahn-Oyac, Arnaud; Ferrero, Emma; Issaly, Jean; Eparvier, Véronique; Girod, Romain; Rodrigues, Alice M S; Stien, Didier; Houël, Emeline; Dusfour, Isabelle

2016-12-01

Research on natural insecticides has intensified with the spread of resistance to chemicals among insects, particularly disease vectors. To evaluate compounds, the World Health Organization (WHO) has published standardized procedures. However, those may be excessively compound-consuming when it comes to assessing the activity of natural extracts and pure compounds isolated in limited amount. As part of our work on the discovery of new mosquito larvicides from Amazonian plants, we developed a compound-saving assay in 5-ml glass tubes instead of WHO larval 100-ml cups. Comparing activity of synthetic and natural chemicals validated the glass tube assay. Raw data, lethal doses that kill 50% (LD 50 ) and 90% (LD 90 ) at 24 and 48 h, were highly correlated (0.68 natural extracts and molecules, identifying active compounds using 10 times less material than in the WHO protocol.

Design and Optical Performance of Compound Parabolic Solar Concentrators with Evacuated Tube as Receivers

Directory of Open Access Journals (Sweden)

Qiang Wang

2016-10-01

Full Text Available In the present article, six symmetric compound parabolic solar concentrators (CPCs with all-glass evacuated solar tubes (EST as the receiver are designed, and a comparative study on their optical performance is performed based on theoretical analysis and ray-tracing simulations. In terms of optical loss through gaps of CPCs and optical efficiency averaged for radiation over the acceptance angle, CPC-6, designed based on a fictitious “hat”-shaped absorber with a “V” groove at the bottom, is the optimal design, and CPC-1, designed based on the cover tube, is the worst solution, whereas from the point of view of the annual collectible radiation on the EST, it is found that CPC-4, designed based on a fictitious “ice-cream” absorber, is the optimal design and CPC-1 is the worst solution. CPC-6, commonly regarded as the best design in the past, is not an optimal design in terms of annual collectible radiation after truncation. Results also indicate that, for high temperature applications, CPC-6 and CPC-4 are advisable due to the high solar flux on the EST resulting from the high optical efficiency for radiation within the acceptance angle.

Active Learning Environment with Lenses in Geometric Optics

Science.gov (United States)

Tural, Güner

2015-01-01

Geometric optics is one of the difficult topics for students within physics discipline. Students learn better via student-centered active learning environments than the teacher-centered learning environments. So this study aimed to present a guide for middle school teachers to teach lenses in geometric optics via active learning environment…

Anti-human rhinoviral activity of polybromocatechol compounds isolated from the rhodophyta, Neorhodomela aculeata.

Science.gov (United States)

Park, Soon-Hye; Song, Jae-Hyoung; Kim, Taejung; Shin, Woon-Seob; Park, Gab Man; Lee, Seokjoon; Kim, Young-Joo; Choi, Pilju; Kim, Heejin; Kim, Hui-Seong; Kwon, Dur-Han; Choi, Hwa Jung; Ham, Jungyeob

2012-10-01

An extract of the red alga, Neorhodomela aculeata, exhibited antiviral activity against human rhinoviruses. Bioassay-guided purification was performed to yield six compounds, which were subsequently identified as lanosol (1) and five polybromocatechols (2-6) by spectroscopic methods, including 1D and 2D NMR and mass spectrometric analyses. Structurally, all of these compounds, except compound 5, contain one or two 2,3-dibromo-4,5-dihydroxyphenyl moieties. In a biological activity assay, compound 1 was found to possess antiviral activity with a 50% inhibitory concentration (IC₅₀) of 2.50 μg/mL against HRV2. Compound 3 showed anti-HRV2 activity, with an IC₅₀ of 7.11 μg/mL, and anti-HRV3 activity, with an IC₅₀ of 4.69 μg/mL, without demonstrable cytotoxicity at a concentration of 20 μg/mL. Collectively, the results suggest that compounds 1 and 3 are candidates for novel therapeutics against two different groups of human rhinovirus.

Antibacterial and antifungal activity of sulfur-containing compounds from Petiveria alliacea L.

Science.gov (United States)

Kim, Seokwon; Kubec, Roman; Musah, Rabi A

2006-03-08

A total of 18 organosulfur compounds originating from Petiveria alliacea L. roots have been tested for their antibacterial and antifungal activities. These represent compounds occurring in fresh homogenates as well as those present in various macerates, extracts and other preparations made from Petiveria alliacea. Of the compounds assayed, the thiosulfinates, trisulfides and benzylsulfinic acid were observed to be the most active, with the benzyl-containing thiosulfinates exhibiting the broadest spectrum of antimicrobial activity. The effect of plant sample preparation conditions on the antimicrobial activity of the extract is discussed.

Raman Optical Activity of Biological Molecules

Science.gov (United States)

Blanch, Ewan W.; Barron, Laurence D.

Now an incisive probe of biomolecular structure, Raman optical activity (ROA) measures a small difference in Raman scattering from chiral molecules in right- and left-circularly polarized light. As ROA spectra measure vibrational optical activity, they contain highly informative band structures sensitive to the secondary and tertiary structures of proteins, nucleic acids, viruses and carbohydrates as well as the absolute configurations of small molecules. In this review we present a survey of recent studies on biomolecular structure and dynamics using ROA and also a discussion of future applications of this powerful new technique in biomedical research.

Synthesis, crystal structure and growth of a new inorganic- organic hybrid compound for nonlinear optical applications: Aquadiiodo (3-aminopropanoic acid) cadmium (II)

Science.gov (United States)

Boopathi, K.; Babu, S. Moorthy; Jagan, R.; Ramasamy, P.

2017-12-01

The new inorganic-organic hybrid material aquadiiodo (3-aminopropanoic acid) cadmium (II) [ADI (3-AP) Cd] has been successfully synthesized and good quality crystals have been grown by slow evaporation solution technique. The structure was determined by single crystal X-ray diffraction at room temperature. The compound crystallizes in monoclinic crystal system with centro symmetric space group P21/c and four molecules in the unit cell. The structure of the title compound was further confirmed by 1H and 13C nuclear magnetic resonance spectral analysis. FT-IR spectroscopy was used to confirm the presence of various functional groups in the compound. The transmittance and optical parameters of the crystal were studied by UV- Visible-NIR spectroscopy. The thermal stability of the grown crystal was evaluated using thermogravimetric and differential thermal analyses. Mechanical hardness has been identified by Vickers micro hardness study and work hardening coefficient was calculated. Dielectric measurement was carried out as a function of frequency and results are discussed. The growth mechanism of the crystal was assessed by chemical etching studies. The third-order nonlinear optical susceptibility of [ADI (3-AP) Cd] was derived using the Z-scan technique, and it was 3.24955 × 10-8 esu. The positive nonlinear refractive index 2.48505 × 10-11 m2/W, is an indication of self-defocusing optical nonlinearity of the sample. It is believed that the [ADI (3-AP) Cd] is a promising new candidate for developing efficient nonlinear optical and optical power limiting devices.

Effects of surface polishing and annealing on the optical conductivity of intermetallic compounds

CERN Document Server

Rhee, J Y

1999-01-01

The optical conductivity spectra of several intermetallic compounds were measured by spectroscopic ellipsometry. Three spectra were measured for each compound; just after the sample was mechanically polished, at high temperature, and after the sample was annealed at 110 .deg. C for at least one day and cooled to room temperature. An equiatomic FeTi alloy showed the typical effects of annealing after mechanical polishing of surface. The spectrum after annealing had a larger magnitude and sharper structures than the spectrum before annealing. We also observed shifts of peaks in the spectrum. A relatively low-temperature annealing gave rise to unexpectedly substantial effects, and the effects were explained by recrystallization and/or a disorder -> order transition of the surface of the sample which was damaged and, hence, became highly disordered by mechanical polishing. Similar effects were also observed when the sample temperature was lowered. The observed changes upon annealing could partly be explained by p...

Biologically Active Macrocyclic Compounds – from Natural Products to Diversity‐Oriented Synthesis

DEFF Research Database (Denmark)

Madsen, Charlotte Marie; Clausen, Mads Hartvig

2011-01-01

Macrocyclic compounds are attractive targets when searching for molecules with biological activity. The interest in this compound class is increasing, which has led to a variety of methods for tackling the difficult macrocyclization step in their synthesis. This microreview highlights some recent...... developments in the synthesis of macrocycles, with an emphasis on chemistry developed to generate libraries of putative biologically active compounds....

Advances in the development of AMPK-activating compounds.

Science.gov (United States)

Sriwijitkamol, Apiradee; Musi, Nicolas

2008-10-01

AMP-activated protein kinase (AMPK) is an energy sensing enzyme that controls glucose and lipid metabolism. This review summarizes the present data on AMPK as a pharmacologic target for the treatment of metabolic disorders. The mechanisms governing AMPK activity and how this enzyme controls different metabolic pathways are reviewed briefly, and details about the effect that AMPK activators have on glucose metabolism are provided. Evidence obtained using the AMPK-activating compound 5-aminoimidazole-4-carboxamide-1-β-d-ribofuranoside (AICAR) suggests that AMPK promotes glucose transport into skeletal muscles and that this enzyme inhibits hepatic glucose production. AICAR also induces fatty acid oxidation in muscle and inhibits cholesterol synthesis in the liver. The metabolic effects of AICAR on glucose and lipid metabolism indicate that AMPK may be a good pharmacologic target for the treatment of type 2 diabetes and hypercholesterolemia. Novel AMPK-specific compounds are allowing researchers to examine whether this enzyme is a useful pharmacologic target for the treatment of human disease and whether chronic activation of AMPK will be safe.

ANTIBACTERIAL COMPOUNDS ACTIVITY OF MANGROVE LEAF EXTRACT RHIZOPHORA MUCRONATA ON AEROMONAS HYDROPHYLA

Directory of Open Access Journals (Sweden)

Panjaitan M.A.P.

2018-01-01

Full Text Available Pathogenic bacterial infections such as A.hydrophyla in fish cultivation are common problems. A.hydrophyla belongs to a group of bacteria resistant to more than one type of antibiotic. This study aims to determine the antibacterial activity of R.mucronata mangrove leaf extract and to identify potential antibacterial compounds. The research procedure includes extraction, compound refinement, phytochemical test, antibacterial activity test, and KBM-KHM Test. The results show that the antibacterial ability possessed by R.mucronata leaves crude extract increased after the extract was purified utilizing separating funnel. The lowest concentration of methanol fraction extract capable of inhibiting A.hydrophyla (KHM growth was at 8.25±0.39 ppm, while the lowest concentration of A.hydrophyla was 32.99±1.56 ppm. Bioactive compounds contained in methanol R.mucronata leaves extract are alkaloid compounds, flavonoids, and tannins. Out of the three compounds detected, antibacterial activity is thought to be derived from flavonoid and tannin compounds.

Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

International Nuclear Information System (INIS)

Reshak, A.H.; Azam, Sikander; Alahmed, Z.A.; Chyský, Jan

2014-01-01

The band structure, density of states, electronic charge density, Fermi surface and optical properties for B 8 (Be 48 )B 2 compound has been investigated in the support of density functional theory (DFT). The atomic positions of B 8 (Be 48 )B 2 compound were optimized by minimization of the forces acting on the atoms using the full potential linear augmented plane wave (FPLAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engal-Vosko GGA (EVGGA) to indulgence the exchange correlation potential by solving Kohn–Sham equations. The result shows that the compound is metallic with sturdy hybridization near the Fermi energy level (E F ). The density of states at Fermi energy, N(E F ), is determined by the overlaping between B-p, B-s and Be-s states. This overlaping is strong enough indicating metallic origin with different values of N(E F ). These values are 16.4, 16.27 and 14.89 states/eV, and the corresponding bare linear low-temperature electronic specific heat coefficient (γ) is found to be 2.84, 2.82 and 2.58 mJ/mol K 2 for EVGGA, GGA and LDA respectively. There exists a strong hybridization between B-s and B-p states, also between B-s and Be-p states around the Fermi level. The Fermi surface is composed of three sheets. These sheets consist of set of holes and electrons. The bonding features of the compounds are analyzed using the electronic charge density in the (101 and −101) crystallographic planes and also the analyzing of charge density shows covalent bonding between B and B. The linear optical properties are also deliberated and discussed in particulars. - Highlights: • The compound is metallic. • The density of states at the Fermi energy is calculated. • The bare linear low-temperature electronic specific heat coefficient is obtained. • Fermi surface is composed of three sheets. • The bonding features are analyzed using the electronic charge density

Optical study of Dirac fermions and related phonon anomalies in the antiferromagnetic compound CaFeAsF

Science.gov (United States)

Xu, B.; Xiao, H.; Gao, B.; Ma, Y. H.; Mu, G.; Marsik, P.; Sheveleva, E.; Lyzwa, F.; Dai, Y. M.; Lobo, R. P. S. M.; Bernhard, C.

2018-05-01

We performed optical studies on CaFeAsF single crystals, a parent compound of the 1111-type iron-based superconductors that undergoes a structural phase transition from tetragonal to orthorhombic at Ts=121 K and a magnetic one to a spin density wave (SDW) state at TN=110 K. In the low-temperature optical conductivity spectrum, after the subtraction of a narrow Drude peak, we observe a pronounced singularity around 300 cm-1 that separates two regions of quasilinear conductivity. We outline that these characteristic absorption features are signatures of Dirac fermions, similar to what was previously reported for the BaFe2As2 system [Z.-G. Chen et al., Phys. Rev. Lett. 119, 096401 (2017), 10.1103/PhysRevLett.119.096401]. In support of this interpretation, we show that for the latter system this singular feature disappears rapidly upon electron and hole doping, as expected if it arises from a van Hove singularity in between two Dirac cones. Finally, we show that one of the infrared-active phonon modes (the Fe-As mode at 250 cm-1) develops a strongly asymmetric line shape in the SDW state and note that this behavior can be explained in terms of a strong coupling with the Dirac fermions.

Detection of chlorinated aromatic compounds

Science.gov (United States)

Ekechukwu, A.A.

1996-02-06

A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

Active material, optical mode and cavity impact on nanoscale electro-optic modulation performance

Science.gov (United States)

Amin, Rubab; Suer, Can; Ma, Zhizhen; Sarpkaya, Ibrahim; Khurgin, Jacob B.; Agarwal, Ritesh; Sorger, Volker J.

2017-10-01

Electro-optic modulation is a key function in optical data communication and possible future optical compute engines. The performance of modulators intricately depends on the interaction between the actively modulated material and the propagating waveguide mode. While a variety of high-performance modulators have been demonstrated, no comprehensive picture of what factors are most responsible for high performance has emerged so far. Here we report the first systematic and comprehensive analytical and computational investigation for high-performance compact on-chip electro-optic modulators by considering emerging active materials, model considerations and cavity feedback at the nanoscale. We discover that the delicate interplay between the material characteristics and the optical mode properties plays a key role in defining the modulator performance. Based on physical tradeoffs between index modulation, loss, optical confinement factors and slow-light effects, we find that there exist combinations of bias, material and optical mode that yield efficient phase or amplitude modulation with acceptable insertion loss. Furthermore, we show how material properties in the epsilon near zero regime enable reduction of length by as much as by 15 times. Lastly, we introduce and apply a cavity-based electro-optic modulator figure of merit, Δλ/Δα, relating obtainable resonance tuning via phase shifting relative to the incurred losses due to the fundamental Kramers-Kronig relations suggesting optimized device operating regions with optimized modulation-to-loss tradeoffs. This work paves the way for a holistic design rule of electro-optic modulators for high-density on-chip integration.

Optical Switching for Dynamic Distribution of Wireless-Over-Fiber Signals in Active Optical Networks

DEFF Research Database (Denmark)

Vegas Olmos, Juan José; Rodes, Guillermo; Tafur Monroy, Idelfonso

2012-01-01

In this paper, we report on an experimental validation of dynamic distribution of wireless-over-fiber by employing optical switching using semiconductor optical amplifiers; we also provide a channel distribution scheme and a generic topology for such an optical switch. The experiment consists...... of a four wavelength-division-multiplexed channel system operating on a WiMax frequency band and employing an orthogonal-frequency-division-multiplexing modulation at 625 Mbits/s per channel, transmission of the data over 20 km of optical fiber, and active switching in a 1 × 16 active optical switch....... The results show a negligible power penalty on each channel for both the best and the worst case in terms of inter-channel crosstalk. The presented system is highly scalable both in terms of port count and throughput, a desirable feature in highly branched access networks, and is modulation- and frequency...

Anti-Human Rhinoviral Activity of Polybromocatechol Compounds Isolated from the Rhodophyta, Neorhodomela aculeata

Directory of Open Access Journals (Sweden)

Hui-Seong Kim

2012-10-01

Full Text Available An extract of the red alga, Neorhodomela aculeata, exhibited antiviral activity against human rhinoviruses. Bioassay-guided purification was performed to yield six compounds, which were subsequently identified as lanosol (1 and five polybromocatechols (2–6 by spectroscopic methods, including 1D and 2D NMR and mass spectrometric analyses. Structurally, all of these compounds, except compound 5, contain one or two 2,3-dibromo-4,5-dihydroxyphenyl moieties. In a biological activity assay, compound 1 was found to possess antiviral activity with a 50% inhibitory concentration (IC50 of 2.50 μg/mL against HRV2. Compound 3 showed anti-HRV2 activity, with an IC50 of 7.11 μg/mL, and anti-HRV3 activity, with an IC50 of 4.69 μg/mL, without demonstrable cytotoxicity at a concentration of 20 μg/mL. Collectively, the results suggest that compounds 1 and 3 are candidates for novel therapeutics against two different groups of human rhinovirus.

Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

International Nuclear Information System (INIS)

Bouhemadou, A.; Bin-Omran, S.; Allali, D.; Al-Otaibi, S.M.; Khenata, R.; Al-Douri, Y.; Chegaar, M.; Reshak, A.H.

2015-01-01

Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures

Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

Energy Technology Data Exchange (ETDEWEB)

Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science & Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Allali, D. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Al-Otaibi, S.M. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Al-Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Kangar, Perlis 01000 (Malaysia); Chegaar, M. [Department of Physics, Faculty of Science, University of Setif 1, Setif 19000 (Algeria); Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, Pilson 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, Kangar, Perlis 01007 (Malaysia)

2015-04-15

Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures.

Activity-Guided Isolation of Antioxidant Compounds from Andrographis stenophylla Leaf

Directory of Open Access Journals (Sweden)

Neelaveni Thangavel

2010-01-01

Full Text Available The antioxidant potency of various extracts of Andrographis stenophylla leaf was evaluated in vitro using ferric thiocyanate method. Reductive ability and free radical scavenging activity of the extracts were also investigated. Amounts of phenolic compounds in each of the extracts were determined using Folin-Ciocalteau reagent and compared to observe the correlation between antioxidant activities and total phenolic content. Methanol extract exhibited maximum antioxidant activity and was found to contain 2% of total phenolic compounds. Methanol extract was subjected to column chromatographic separation over silica gel G using ethyl acetate: formic acid: acetic acid: water. Fractions thus obtained were screened for their antioxidant activity. Among the eleven fractions screened, fraction C was more active than the standard butylated hydroxyanisole. Fraction C on further fractionation with n-butanol: acetic acid: water afforded two flavanoids namely acacetine and isosakuranetine. Fraction A was also shown to possess good antioxidant activity which was developed using TLC and indicated the presence of a terpenoid, Andrographolide. The structures of the isolated compounds were confirmed by UV, IR, MS, 1H and 13C NMR spectral data. This is the first report wherein Andrographolide, Acacetine and Isosakuranetine are isolated from Andrographis stenophylla leaf.

Cryptic antifungal compounds active by synergism with polyene antibiotics.

Science.gov (United States)

Kinoshita, Hiroshi; Yoshioka, Mariko; Ihara, Fumio; Nihira, Takuya

2016-04-01

The majority of antifungal compounds reported so far target the cell wall or cell membrane of fungi, suggesting that other types of antibiotics cannot exert their activity because they cannot penetrate into the cells. Therefore, if the permeability of the cell membrane could be enhanced, many antibiotics might be found to have antifungal activity. We here used the polyene antibiotic nystatin, which binds to ergosterol and forms pores at the cell membrane, to enhance the cellular permeability. In the presence of nystatin, many culture extracts from entomopathogenic fungi displayed antifungal activity. Among all the active extracts, two active components were purified and identified as helvolic acid and terramide A. Because the minimum inhibitory concentration of either compound was reduced four-fold in the presence of nystatin, it can be concluded that this screening method is useful for detecting novel antifungal activity. Copyright © 2015 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

A systematics of optical model compound nucleus formation cross sections for neutrons, proton, deuteron, 3He and alpha particle incidents

International Nuclear Information System (INIS)

Murata, Toru

2000-01-01

Simple formulae to reproduce the optical model compound nucleus formation cross sections for neutron, proton, deuteron, triton, 3 He and alpha particles are presented for target nuclei of light to medium weight mass region. (author)

Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

International Nuclear Information System (INIS)

Kandhasamy, Subramani; Ramanathan, Giriprasath; Muthukumar, Thangavelu; Thyagarajan, SitaLakshmi; Umamaheshwari, Narayanan; Santhanakrishnan, V P; Sivagnanam, Uma Tiruchirapalli; Perumal, Paramasivan Thirumalai

2017-01-01

The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

Nanofibrous matrixes with biologically active hydroxybenzophenazine pyrazolone compound for cancer theranostics

Energy Technology Data Exchange (ETDEWEB)

Kandhasamy, Subramani [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Ramanathan, Giriprasath [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Muthukumar, Thangavelu [Department of Clinical and Experimental Medicine (IKE), Division of Neuro and Inflammation Sciences (NIV), Linkoping University (Sweden); Thyagarajan, SitaLakshmi [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Umamaheshwari, Narayanan [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India); Santhanakrishnan, V P [Department of Plant Biotechnology, TNAU, Coimbatore, Tamilnadu (India); Sivagnanam, Uma Tiruchirapalli, E-mail: suma67@gmail.com [Bioproducts Lab, CSIR-Central Leather Research Institute, Chennai 600020, Tamilnadu (India); Perumal, Paramasivan Thirumalai, E-mail: ptperumal@gmail.com [Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600020, Tamilnadu (India)

2017-05-01

The nanomaterial with the novel biologically active compounds has been actively investigated for application in cancer research. Substantial use of nanofibrous scaffold for cancer research with potentially bioactive compounds through electrospinning has not been fully explored. Here, we describe the series of fabrication of nanofibrous scaffold loaded with novel potential biologically active hydroxybenzo[a]phenazine pyrazol-5(4H)-one derivatives were designed, synthesized by a simple one-pot, two step four component condensation based on Michael type addition reaction of lawsone, benzene-1,2-diamine, aromatic aldehydes and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one as the substrates. The heterogeneous solid state catalyst (Fe (III) Y-Zeolite) could effectively catalyze the reaction to obtain the product with high yield and short reaction time. The synthesized compounds (5a–5p) were analyzed by NMR, FTIR and HRMS analysis. Compound 5c was confirmed by single crystal XRD studies. All the compounds were biologically evaluated for their potential inhibitory effect on anticancer (MCF-7, Hep-2) and microbial (MRSA, MTCC 201 and FRCA) activities. Among the compounds 5i exhibited the highest levels of inhibitory activity against both MCF-7, Hep-2 cell lines. Furthermore, the compound 5i (BPP) was evaluated for DNA fragmentation, flow cytometry studies and cytotoxicity against MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. In addition, molecular docking (PDB ID: (1T46)) studies were performed to predict the binding affinity of ligand with receptor. Moreover, the synthesized BPP compound was loaded in to the PHB-PCL nanofibrous scaffold to check the cytotoxicity against the MCF-7, Hep-2 and NIH 3T3 fibroblast cell lines. The in vitro apoptotic potential of the PHB-PCL-BPP nanofibrous scaffold was assessed against MCF-7, Hep-2 cancerous cells and fibroblast cells at 12, 24 and 48 h respectively. The nanofibrous scaffold with BPP can induce apoptosis and also suppress the

Synthesis, Characterization, and Antimicrobial Activities of Coordination Compounds of Aspartic Acid

Directory of Open Access Journals (Sweden)

T. O. Aiyelabola

2016-01-01

Full Text Available Coordination compounds of aspartic acid were synthesized in basic and acidic media, with metal ligand M : L stoichiometric ratio 1 : 2. The complexes were characterized using infrared, electronic and magnetic susceptibility measurements, and mass spectrometry. Antimicrobial activity of the compounds was determined against three Gram-positive and three Gram-negative bacteria and one fungus. The results obtained indicated that the availability of donor atoms used for coordination was a function of the pH of the solution in which the reaction was carried out. This resulted in varying geometrical structures for the complexes. The compounds exhibited a broad spectrum of activity and in some cases better activity than the standard.

Activating AMP-activated protein kinase by an α1 selective activator compound 13 attenuates dexamethasone-induced osteoblast cell death

International Nuclear Information System (INIS)

Guo, Shiguang; Mao, Li; Ji, Feng; Wang, Shouguo; Xie, Yue; Fei, Haodong; Wang, Xiao-dong

2016-01-01

Excessive glucocorticoid (GC) usage may lead to non-traumatic femoral head osteonecrosis. Dexamethasone (Dex) exerts cytotoxic effect to cultured osteoblasts. Here, we investigated the potential activity of Compound 13 (C13), a novel α1 selective AMP-activated protein kinase (AMPK) activator, against the process. Our data revealed that C13 pretreatment significantly attenuated Dex-induced apoptosis and necrosis in both osteoblastic-like MC3T3-E1 cells and primary murine osteoblasts. AMPK activation mediated C13′ cytoprotective effect in osteoblasts. The AMPK inhibitor Compound C, shRNA-mediated knockdown of AMPKα1, or dominant negative mutation of AMPKα1 (T172A) almost abolished C13-induced AMPK activation and its pro-survival effect in osteoblasts. On the other hand, forced AMPK activation by adding AMPK activator A-769662 or exogenous expression a constitutively-active (ca) AMPKα1 (T172D) mimicked C13's actions and inhibited Dex-induced osteoblast cell death. Meanwhile, A-769662 or ca-AMPKα1 almost nullified C13's activity in osteoblast. Further studies showed that C13 activated AMPK-dependent nicotinamide adenine dinucleotide phosphate (NADPH) pathway to inhibit Dex-induced reactive oxygen species (ROS) production in MC3T3-E1 cells and primary murine osteoblasts. Such effects by C13 were almost reversed by Compound C or AMPKα1 depletion/mutation. Together, these results suggest that C13 alleviates Dex-induced osteoblast cell death via activating AMPK signaling pathway. - Highlights: • Compound 13 (C13) attenuates dexamethasone (Dex)-induced osteoblast cell death. • C13-induced cytoprotective effect against Dex in osteoblasts requires AMPK activation. • Forced AMPK activation protects osteoblasts from Dex, nullifying C13's activities. • C13 increases NADPH activity and inhibits Dex-induced oxidative stress in osteoblasts.

Activating AMP-activated protein kinase by an α1 selective activator compound 13 attenuates dexamethasone-induced osteoblast cell death

Energy Technology Data Exchange (ETDEWEB)

Guo, Shiguang [Department of Intensive Care Unit, Huai' an First People' s Hospital, Nanjing Medical University, Huai' an (China); Mao, Li [Department of Endocrinology, Huai' an First People' s Hospital, Nanjing Medical University, Huai' an (China); Ji, Feng, E-mail: huaiaifengjidr@163.com [Department of Orthopedics, Huai' an First People' s Hospital, Nanjing Medical University, Huai' an (China); Wang, Shouguo; Xie, Yue; Fei, Haodong [Department of Orthopedics, Huai' an First People' s Hospital, Nanjing Medical University, Huai' an (China); Wang, Xiao-dong, E-mail: xiaodongwangsz@163.com [The Center of Diagnosis and Treatment for Children' s Bone Diseases, The Children' s Hospital Affiliated to Soochow University, Suzhou (China)

2016-03-18

Excessive glucocorticoid (GC) usage may lead to non-traumatic femoral head osteonecrosis. Dexamethasone (Dex) exerts cytotoxic effect to cultured osteoblasts. Here, we investigated the potential activity of Compound 13 (C13), a novel α1 selective AMP-activated protein kinase (AMPK) activator, against the process. Our data revealed that C13 pretreatment significantly attenuated Dex-induced apoptosis and necrosis in both osteoblastic-like MC3T3-E1 cells and primary murine osteoblasts. AMPK activation mediated C13′ cytoprotective effect in osteoblasts. The AMPK inhibitor Compound C, shRNA-mediated knockdown of AMPKα1, or dominant negative mutation of AMPKα1 (T172A) almost abolished C13-induced AMPK activation and its pro-survival effect in osteoblasts. On the other hand, forced AMPK activation by adding AMPK activator A-769662 or exogenous expression a constitutively-active (ca) AMPKα1 (T172D) mimicked C13's actions and inhibited Dex-induced osteoblast cell death. Meanwhile, A-769662 or ca-AMPKα1 almost nullified C13's activity in osteoblast. Further studies showed that C13 activated AMPK-dependent nicotinamide adenine dinucleotide phosphate (NADPH) pathway to inhibit Dex-induced reactive oxygen species (ROS) production in MC3T3-E1 cells and primary murine osteoblasts. Such effects by C13 were almost reversed by Compound C or AMPKα1 depletion/mutation. Together, these results suggest that C13 alleviates Dex-induced osteoblast cell death via activating AMPK signaling pathway. - Highlights: • Compound 13 (C13) attenuates dexamethasone (Dex)-induced osteoblast cell death. • C13-induced cytoprotective effect against Dex in osteoblasts requires AMPK activation. • Forced AMPK activation protects osteoblasts from Dex, nullifying C13's activities. • C13 increases NADPH activity and inhibits Dex-induced oxidative stress in osteoblasts.

Antibacterial Activity of Phenolic Compounds Against the Phytopathogen Xylella fastidiosa

OpenAIRE

Maddox, Christina E.; Laur, Lisa M.; Tian, Li

2010-01-01

Xylella fastidiosa is a pathogenic bacterium that causes diseases in many crop species, which leads to considerable economic loss. Phenolic compounds (a group of secondary metabolites) are widely distributed in plants and have shown to possess antimicrobial properties. The anti-Xylella activity of 12 phenolic compounds, representing phenolic acid, coumarin, stilbene and flavonoid, was evaluated using an in vitro agar dilution assay. Overall, these phenolic compounds were effective in inhibiti...

Antiplasmodial activity of some phenolic compounds from ...

African Journals Online (AJOL)

Background: Plasmodium falciparum, one of the causative agents of malaria, has high adaptability through mutation and is resistant to many types of anti-malarial drugs. This study presents an in vitro assessment of the antiplasmodial activity of some phenolic compounds isolated from plants of the genus Allanblackia.

Optical properties of zinc oxide-based ternary compounds synthesized by electrodeposition

Energy Technology Data Exchange (ETDEWEB)

Cembrero, J. [Departament d' Enginyeria Mecanica i Materials, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mollar, M.; Tortosa, M. [Departament de Fisica Aplicada, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia (Spain); Mari, B.

2008-07-01

Structure, morphology and optical properties of ZnO thin films grown by electrodeposition under different conditions changing both solvent (water or dimethylsulfoxide) and substrate (polycrystalline FTO or monocrystalline GaN) are reported. The results point out the advantage of using dimethylsulfoxide when uniform, oriented and highly transparent films are required. On the other hand electrodeposition in aqueous bath produces perfectly defined hexagonal ZnO columns which can be fully oriented by chosing a suitable substrate. Photoluminescence has only been observed for ZnO films grown in aqueous bath. Ternary compounds as ZnMO (M=Cd,Co,Mn) with a controlled ratio between both cations, and morphology and structure like binary ZnO can be easily obtained from dimethylsulfoxide. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The catalystic asymmetric synthesis of optically active epoxy ketones

NARCIS (Netherlands)

Marsman, Bertha Gerda

1981-01-01

In this thesis the use of catalytic asymmetric synthesis to prepare optically active epoxy ketones is described. This means that the auxiliary chirality, necessary to obtain an optically active product, is added in a catalytic quantity . In principle this is a very efficient way to make opticlly

Combined experimental and theoretical study on the Raman and Raman optical activity signatures of pentamethylundecane diastereoisomers.

Science.gov (United States)

Drooghaag, Xavier; Marchand-Brynaert, Jacqueline; Champagne, Benoît; Liégeois, Vincent

2010-09-16

The synthesis and the separation of the four stereoisomers of 2,4,6,8,10-pentamethylundecane (PMU) are described together with their characterization by Raman spectroscopy. In parallel, theoretical calculations of the Raman and vibrational Raman optical activity (VROA) spectra are reported and analyzed in relation with the recorded spectra. A very good agreement is found between the experimental and theoretical spectra. The Raman spectra are also shown to be less affected by the change of configuration than the VROA spectra. Nevertheless, by studying the overlap between the theoretical Raman spectra, we show clear relationships between the spectral fingerprints and the structures displaying a mixture of the TGTGTGTG conformation of the (4R,6s,8S)-PMU (isotactic compound) with the TTTTTTTT conformation of the (4R,6r,8S)-PMU (syndiotactic compound). Then, the fingerprints of the VROA spectra of the five conformers of the (4R,8R)-PMU have been related to the fingerprints of the regular (TG)(N) isotactic compound as a function of the torsion angles. Since the (TT)(N) syndiotactic compound has no VROA signatures, the VROA spectroscopy is very sensitive to the helical structures, as demonstrated here.

Active x-ray optics for high resolution space telescopes

Science.gov (United States)

Doel, Peter; Atkins, Carolyn; Brooks, D.; Feldman, Charlotte; Willingale, Richard; Button, Tim; Rodriguez Sanmartin, Daniel; Meggs, Carl; James, Ady; Willis, Graham; Smith, Andy

2017-11-01

The Smart X-ray Optics (SXO) Basic Technology project started in April 2006 and will end in October 2010. The aim is to develop new technologies in the field of X-ray focusing, in particular the application of active and adaptive optics. While very major advances have been made in active/adaptive astronomical optics for visible light, little was previously achieved for X-ray optics where the technological challenges differ because of the much shorter wavelengths involved. The field of X-ray astronomy has been characterized by the development and launch of ever larger observatories with the culmination in the European Space Agency's XMM-Newton and NASA's Chandra missions which are currently operational. XMM-Newton uses a multi-nested structure to provide modest angular resolution ( 10 arcsec) but large effective area, while Chandra sacrifices effective area to achieve the optical stability necessary to provide sub-arc second resolution. Currently the European Space Agency (ESA) is engaged in studies of the next generation of X-ray space observatories, with the aim of producing telescopes with increased sensitivity and resolution. To achieve these aims several telescopes have been proposed, for example ESA and NASA's combined International X-ray Observatory (IXO), aimed at spectroscopy, and NASA's Generation-X. In the field of X-ray astronomy sub 0.2 arcsecond resolution with high efficiency would be very exciting. Such resolution is unlikely to be achieved by anything other than an active system. The benefits of a such a high resolution would be important for a range of astrophysics subjects, for example the potential angular resolution offered by active X-ray optics could provide unprecedented structural imaging detail of the Solar Wind bowshock interaction of comets, planets and similar objects and auroral phenomena throughout the Solar system using an observing platform in low Earth orbit. A major aim of the SXO project was to investigate the production of thin

Radiosensitization of Escherichia coli and Salmonella typhi in presence of active compounds

International Nuclear Information System (INIS)

Lacroix, M.; Chiasson, F.; Borsa, J.; Ouattara, B.

2004-01-01

The radiosensitization of Escherichia coli and Salmonella typhi in ground beef was evaluated in the presence of 18 active compounds. Medium fat ground beef (23% fat) was inoculated with E. coli or S. typhi and each active compound was added separately at various concentrations. For E. coli, the most efficient compounds were trans-cinnamaldehyde, thymol and thyme. For S. typhi, the most efficient compounds was trans-cinnamaldehyde, carvacrol and thymol. The addition of tetrasodium pyrophosphate, carvacrol and ascorbic acid had no effect on the irradiation sensitivity of E. coli. For S. typhi, only ascorbic acid had no effect

Radiosensitization of Escherichia coli and Salmonella typhi in presence of active compounds

Energy Technology Data Exchange (ETDEWEB)

Lacroix, M. E-mail: monique.lacroix@inrs-iaf.uquebec.ca; Chiasson, F.; Borsa, J.; Ouattara, B

2004-10-01

The radiosensitization of Escherichia coli and Salmonella typhi in ground beef was evaluated in the presence of 18 active compounds. Medium fat ground beef (23% fat) was inoculated with E. coli or S. typhi and each active compound was added separately at various concentrations. For E. coli, the most efficient compounds were trans-cinnamaldehyde, thymol and thyme. For S. typhi, the most efficient compounds was trans-cinnamaldehyde, carvacrol and thymol. The addition of tetrasodium pyrophosphate, carvacrol and ascorbic acid had no effect on the irradiation sensitivity of E. coli. For S. typhi, only ascorbic acid had no effect.

Polarization ray tracing in anisotropic optically active media. II. Theory and physics

International Nuclear Information System (INIS)

McClain, S.C.; Hillman, L.W.; Chipman, R.A.

1993-01-01

Refraction, reflection, and amplitude relations are derived that apply to polarization ray tracing in anisotropic, optically active media such as quartz. The constitutive relations for quartz are discussed. The refractive indices and polarization states associated with the two modes of propagation are derived as a function of wave direction. A procedure for refracting at any uniaxial or optically active interface is derived that computes both the ray direction and the wave direction. A method for computing the optical path length is given, and Fresnel transmission and ref lection equations are derived from boundary conditions on the electromagnetic fields. These ray-tracing formulas apply to uniaxial, optically active media and therefore encompass uniaxial, non-optically active materials and isotropic, optically active materials

Scalable Active Optical Access Network Using Variable High-Speed PLZT Optical Switch/Splitter

Science.gov (United States)

Ashizawa, Kunitaka; Sato, Takehiro; Tokuhashi, Kazumasa; Ishii, Daisuke; Okamoto, Satoru; Yamanaka, Naoaki; Oki, Eiji

This paper proposes a scalable active optical access network using high-speed Plumbum Lanthanum Zirconate Titanate (PLZT) optical switch/splitter. The Active Optical Network, called ActiON, using PLZT switching technology has been presented to increase the number of subscribers and the maximum transmission distance, compared to the Passive Optical Network (PON). ActiON supports the multicast slot allocation realized by running the PLZT switch elements in the splitter mode, which forces the switch to behave as an optical splitter. However, the previous ActiON creates a tradeoff between the network scalability and the power loss experienced by the optical signal to each user. It does not use the optical power efficiently because the optical power is simply divided into 0.5 to 0.5 without considering transmission distance from OLT to each ONU. The proposed network adopts PLZT switch elements in the variable splitter mode, which controls the split ratio of the optical power considering the transmission distance from OLT to each ONU, in addition to PLZT switch elements in existing two modes, the switching mode and the splitter mode. The proposed network introduces the flexible multicast slot allocation according to the transmission distance from OLT to each user and the number of required users using three modes, while keeping the advantages of ActiON, which are to support scalable and secure access services. Numerical results show that the proposed network dramatically reduces the required number of slots and supports high bandwidth efficiency services and extends the coverage of access network, compared to the previous ActiON, and the required computation time for selecting multicast users is less than 30msec, which is acceptable for on-demand broadcast services.

Effect of vanadium compounds on acid phosphatase activity

OpenAIRE

Vescina, Cecilia M.; Sálice, Viviana C.; Cortizo, Ana María; Etcheverry, Susana B.

1996-01-01

The direct effect of different vanadium compounds on acid phosphatase (ACP) activity was investigated. Vanadate and vanadyl but not pervanadate inhibited the wheat germ ACP activity. These vanadium derivatives did not alter the fibroblast Swiss 3T3 soluble fraction ACP activity. Using inhibitors of tyrosine phosphatases (PTPases), the wheat germ ACP was partially characterized as a PTPase. This study suggests that the inhibitory ability of different vanadium derivatives to modulate ACP activi...

Biologically Active Compounds of Plant Foods: Prospective Impact ...

African Journals Online (AJOL)

On the other hand, other biologically active compounds impair health by ... of essential elements through different mechanisms and giving astringent taste, odor, ... The health benefits of selected substances from Ethiopian food crops need to ...

Effects of surface polishing and annealing on the optical conductivity of intermetallic compounds

International Nuclear Information System (INIS)

Rhee, Joo Yull

1999-01-01

The optical conductivity spectra of several intermetallic compounds were measured by spectroscopic ellipsometry. Three spectra were measured for each compound; just after the sample was mechanically polished, at high temperature, and after the sample was annealed at 110 .deg. C for at least one day and cooled to room temperature. An equiatomic FeTi alloy showed the typical effects of annealing after mechanical polishing of surface. The spectrum after annealing had a larger magnitude and sharper structures than the spectrum before annealing. We also observed shifts of peaks in the spectrum. A relatively low-temperature annealing gave rise to unexpectedly substantial effects, and the effects were explained by recrystallization and/or a disorder → order transition of the surface of the sample which was damaged and, hence, became highly disordered by mechanical polishing. Similar effects were also observed when the sample temperature was lowered. The observed changes upon annealing could partly be explained by presumption that the recrystallization would be realized in such a way that the average atomic spacing would be reduced

Quantum chemistry of solids and materials technology: solid-phase compounds of d- and f-elements

International Nuclear Information System (INIS)

Gubanov, V.A.

1988-01-01

The results of studies aimed at the development of methods of theoretical calculations of the electronic structure of solid phase compounds of α- and f-elements and the modelling of physicochemical properties of materials developed on their basis, are presented. The possibilities of cluster and zone calculations of the electronic structure of refractory compounds of d-metals with light elements are considered. The regularities of changes in the chemical bond and properties during crystal lattice alloying with metals, metalloids are found. The methods of quantum chemical modeling of optically active and luminescent materials on the base of oxides, fluorides, chalcogenides of d- and f-metals are developed. The compositions of new optically active compositions and protective coatings are suggested. New approaches to the study of magnetic properties of metals, alloys and compounds are developed. The results of calculations of the energy spectra of high-temperature oxide superconductors are given

Synthesis of Some Novel Thiadiazole Derivative Compounds and Screening Their Antidepressant-Like Activities

Directory of Open Access Journals (Sweden)

Nafiz Öncü Can

2018-03-01

Full Text Available Novel thiadiazole derivatives were synthesized through the reaction of acetylated 2-aminothiadiazole and piperazine derivatives. The chemical structures of the compounds were clarified by Infrared Spectroscopy (IR, 1H Nuclear Magnetic Resonance Spectroscopy (1H-NMR, 13C Nuclear Magnetic Resonance Spectroscopy (13C-NMR and Electronspray Ionisation Mass Spectroscopy (ESI-MS spectroscopic methods. Antidepressant-like activities were evaluated by the tail-suspension (TST and modified forced swimming (MFST methods. Besides, possible influence of the test compounds on motor activities of the animals were examined by activity cage tests. In the TST, administration of the compounds 2c, 2d, 2e, 2f, 2g and 2h significantly decreased the immobility time of mice regarding the control values. Further, in the MFST, the same compounds reduced the total number of immobility behaviors while increasing swimming performance. However, no change was observed in the total number of climbing behaviors. These data suggested that compounds 2c, 2d, 2e, 2f, 2g and 2h possess notable antidepressant-like activities. Reference drug fluoxetine (10 mg/kg was also exhibited its antidepressant activity, as expected. No significant difference was seen between the locomotor activity values of the test groups signifying that observed antidepressant-like activities are specific. Theoretical calculation of absorption, distribution, metabolism, excretion (ADME properties for the obtained compounds were performed and obtained data supported the antidepressant-like potential of these novel thiadiazole derivatives.

The determination of the conduction mechanism and optical band gap of fluorescein sodium salt

International Nuclear Information System (INIS)

Yakuphanoglu, Fahrettin; Sekerci, Memet; Evin, Ertan

2006-01-01

The electrical conductivity and optical properties of fluorescein sodium salt in the temperature range of 295-370 K have been investigated. Various conduction models described in the literature were used to elucidate the charge transport mechanism of the compound. It is found that the charge transfer mechanism of the compound is understood in terms of grain boundary scattering. It can be evaluated that the obtained electronic parameters such as mobility, conductivity at room temperature, activation energy and optical band gap suggest that the compound is an organic semiconductor

Polarization ray tracing in anisotropic optically active media. I. Algorithms

International Nuclear Information System (INIS)

McClain, S.C.; Hillman, L.W.; Chipman, R.A.

1993-01-01

Procedures for performing polarization ray tracing through birefringent media are presented in a form compatible with the standard methods of geometrical ray tracing. The birefringent materials treated include the following: anisotropic optically active materials such as quartz, non-optically active uniaxial materials such as calcite, and isotropic optically active materials such as mercury sulfide and organic liquids. Refraction and reflection algorithms are presented that compute both ray directions and wave directions. Methods for computing polarization modes, refractive indices, optical path lengths, and Fresnel transmission and reflection coefficients are also specified. A numerical example of these algorithms is given for analyzing the field of view of a quartz rotator. 37 refs., 3 figs

Role of ozone and granular activated carbon in the removal of mutagenic compounds.

Science.gov (United States)

Bourbigot, M M; Hascoet, M C; Levi, Y; Erb, F; Pommery, N

1986-01-01

The identification of certain organic compounds in drinking water has led water treatment specialists to be increasingly concerned about the eventual risks of such pollutants to the health of consumers. Our experiments focused on the role of ozone and granular activated carbon in removing mutagenic compounds and precursors that become toxic after chlorination. We found that if a sufficient dose of ozone is applied, its use does not lead to the creation of mutagenic compounds in drinking water and can even eliminate the initial mutagenicity of the water. The formation of new mutagenic compounds seems to be induced by ozonation that is too weak, although these mutagens can be removed by GAC filtration. Ozone used with activated carbon can be one of the best means for eliminating the compounds contributing to the mutagenicity of water. A combined treatment of ozone and activated carbon also decreases the chlorine consumption of the treated water and consequently reduces the formation of chlorinated organic compounds. PMID:3816720

Photo-induced optical activity in phase-change memory materials.

Science.gov (United States)

Borisenko, Konstantin B; Shanmugam, Janaki; Williams, Benjamin A O; Ewart, Paul; Gholipour, Behrad; Hewak, Daniel W; Hussain, Rohanah; Jávorfi, Tamás; Siligardi, Giuliano; Kirkland, Angus I

2015-03-05

We demonstrate that optical activity in amorphous isotropic thin films of pure Ge2Sb2Te5 and N-doped Ge2Sb2Te5N phase-change memory materials can be induced using rapid photo crystallisation with circularly polarised laser light. The new anisotropic phase transition has been confirmed by circular dichroism measurements. This opens up the possibility of controlled induction of optical activity at the nanosecond time scale for exploitation in a new generation of high-density optical memory, fast chiroptical switches and chiral metamaterials.

Plant compounds insecticide activity against Coleoptera pests of stored products

Energy Technology Data Exchange (ETDEWEB)

Moreira, Marcio Dionizio; Picanco, Marcelo Coutinho; Guedes, Raul Narciso Carvalho; Campos, Mateus Ribeiro de; Silva, Gerson Adriano; Martins, Julio Claudio [Universidade Federal de Vicosa (UFV), MG (Brazil). Dept. de Biologia Animal; br, picanco@ufv; br, guedes@ufv; br, mateusc3@yahoo com; br, agronomiasilva@yahoo com

2007-07-15

The objective of this work was to screen plants with insecticide activity, in order to isolate, identify and assess the bioactivity of insecticide compounds present in these plants, against Coleoptera pests of stored products: Oryzaephilus surinamensis L. (Silvanidae), Rhyzopertha dominica F. (Bostrichidae) and Sitophilus zeamais Mots. (Curculionidae). The plant species used were: basil (Ocimum selloi Benth.), rue (Ruta graveolens L.), lion's ear (Leonotis nepetifolia (L.) R.Br.), jimson weed (Datura stramonium L.), baleeira herb (Cordia verbenacea L.), mint (Mentha piperita L.), wild balsam apple (Mormodica charantia L.), and billy goat weed or mentrasto (Ageratum conyzoides L.). The insecticide activity of hexane and ethanol extracts from those plants on R. dominica was evaluated. Among them, only hexane extract of A. conyzoides showed insecticide activity; the hexane extract of this species was successively fractionated by silica gel column chromatography, for isolation and purification of the active compounds. Compounds 5,6,7,8,3',4',5'-heptamethoxyflavone; 5,6,7,8,3'-pentamethoxy-4',5'-methilenedioxyflavone and coumarin were identified. However, only coumarin showed insecticide activity against three insect pests (LD{sub 50} from 2.72 to 39.71 mg g{sup -1} a.i.). The increasing order of insects susceptibility to coumarin was R. dominica, S. zeamais and O. surinamensis. (author)

Plant compounds insecticide activity against Coleoptera pests of stored products

International Nuclear Information System (INIS)

Moreira, Marcio Dionizio; Picanco, Marcelo Coutinho; Guedes, Raul Narciso Carvalho; Campos, Mateus Ribeiro de; Silva, Gerson Adriano; Martins, Julio Claudio; julioufv@yahoo.com.br

2007-01-01

The objective of this work was to screen plants with insecticide activity, in order to isolate, identify and assess the bioactivity of insecticide compounds present in these plants, against Coleoptera pests of stored products: Oryzaephilus surinamensis L. (Silvanidae), Rhyzopertha dominica F. (Bostrichidae) and Sitophilus zeamais Mots. (Curculionidae). The plant species used were: basil (Ocimum selloi Benth.), rue (Ruta graveolens L.), lion's ear (Leonotis nepetifolia (L.) R.Br.), jimson weed (Datura stramonium L.), baleeira herb (Cordia verbenacea L.), mint (Mentha piperita L.), wild balsam apple (Mormodica charantia L.), and billy goat weed or mentrasto (Ageratum conyzoides L.). The insecticide activity of hexane and ethanol extracts from those plants on R. dominica was evaluated. Among them, only hexane extract of A. conyzoides showed insecticide activity; the hexane extract of this species was successively fractionated by silica gel column chromatography, for isolation and purification of the active compounds. Compounds 5,6,7,8,3',4',5'-heptamethoxyflavone; 5,6,7,8,3'-pentamethoxy-4',5'-methilenedioxyflavone and coumarin were identified. However, only coumarin showed insecticide activity against three insect pests (LD 50 from 2.72 to 39.71 mg g -1 a.i.). The increasing order of insects susceptibility to coumarin was R. dominica, S. zeamais and O. surinamensis. (author)

Antioxidant Activity of Novel Fused Heterocyclic Compounds Derived from Tetrahydropyrimidine Derivative.

Science.gov (United States)

Salem, Marwa Sayed; Farhat, Mahmoud; Errayes, Asma Omar; Madkour, Hassan Mohamed Fawzy

2015-01-01

6-(Benzo[d][1,3]dioxol-5-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has been utilized for synthesis of the fused heterocyclic compounds namely thiazolopyrimidines, tetrazolopyrimidine, pyrimidoquinazoline, pyrimidothiazolopyrimidine, pyrimidothiazolotriazine and pyrrolothiazolopyrimidine derivatives. The newly synthesized compounds were characterized by IR, (1)H-NMR, (13)C-NMR, and mass spectral data. Antioxidant activities of all synthesized compounds were investigated.

Extraction and antioxidant activity of phenolic compounds from ...

African Journals Online (AJOL)

35:1, temperature: 70 oC, the experimental total phenolic yield was 30.464 ± 0.025, which agreed with ... The phenolic compounds showed strong antioxidant activities. At extract ..... under steam explosion is a suitable approach for obtaining a ...

Modeling and analysis of laser active interference optical path

Science.gov (United States)

Shan, Cong-miao; Sun, Hua-yan; Zhao, Yan-zhong; Chen, Jian-biao; Ren, Jian-ying

2017-10-01

By using the geometrical optics and physical optics method, the models of wedge plate interference optical path, Michelson interferometer and Mach Zehnder interferometer thus three different active interference pattern are built. The optical path difference (OPD) launched by different interference patterns, fringe spacing and contrast expression have been derived. The results show that far field interference peak intensity of the wedge plate interference is small, so the detection distance is limited, Michelson interferometer with low contrast affects the performance of detection system, Mach Zehnder interferometer has greater advantages in peak intensity, the variable range of interference fringe spacing and contrast ratio. The results of this study are useful for the theoretical research and practical application of laser active interference detection.

Characterization of aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.).

Science.gov (United States)

Cho, In Hee; Kim, Se Young; Choi, Hyung-Kyoon; Kim, Young-Suk

2006-08-23

The characteristic aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.) were investigated by gas chromatography-olfactometry using aroma extract dilution analysis. 1-Octen-3-one (mushroom-like) was the major aroma-active compound in raw pine-mushrooms; this compound had the highest flavor dilution factor, followed by ethyl 2-methylbutyrate (floral and sweet), linalool (citrus-like), methional (boiled potato-like), 3-octanol (mushroom-like and buttery), 1-octen-3-ol (mushroom-like), (E)-2-octen-1-ol (mushroom-like), and 3-octanone (mushroom-like and buttery). By contrast, methional, 2-acetylthiazole (roasted), an unknown compound (chocolate-like), 3-hydroxy-2-butanone (buttery), and phenylacetaldehyde (floral and sweet), which could be formed by diverse thermal reactions during the cooking process, together with C8 compounds, were identified as the major aroma-active compounds in cooked pine-mushrooms.

Solid-state quantum chemistry and materials science: Solid compounds of the d and f elements

International Nuclear Information System (INIS)

Gubanov, V.A.

1989-01-01

Methods have been developed for calculating electron structures for solid compounds of d and f elements and for simulating physicochemical properties of materials based on them. Cluster and band calculations are considered for refractory compounds of d metals formed with light elements. There are bond and property regularities in doping by meals and metalloids, and defects and impurities have certain effects, where studies have been made on the electron structures for disordered phases and solid solutions in relation to sublattice compositions. Quantum-chemical simulation methods have been developed for optically active and fluorescent materials based on d and f metal oxides, fluorides, and chalcogenides, and compositions have been proposed for new optically active composites and protective coatings. New approaches have been defined to the magnetic parameters of metals, alloys, and compounds; these can be applied in simulating new magnetic materials. Calculations are given on energy spectra for high-temperature oxide superconductors. There is interesting scope for quantum-chemical methods in application to many topics in materials science

Antioxidant and Anti-Osteoporotic Activities of Aromatic Compounds and Sterols from Hericium erinaceum.

Science.gov (United States)

Li, Wei; Lee, Sang Hyun; Jang, Hae Dong; Ma, Jin Yeul; Kim, Young Ho

2017-01-11

Hericium erinaceum , commonly called lion's mane mushroom, is a traditional edible mushroom widely used in culinary applications and herbal medicines in East Asian countries. In this study, a new sterol, cerevisterol 6-cinnamate ( 6 ), was isolated from the fruiting bodies of H. erinaceum together with five aromatic compounds 1 - 5 and five sterols 7 - 11 . The chemical structures of these compounds were elucidated using chemical and physical methods and comparison of HRESIMS, ¹D-NMR (¹H, 13 C, and DEPT) and 2D-NMR (COSY, HMQC, HMBC, and NOESY) spectra with previously reported data. The antioxidant and anti-osteoporotic activities of extracts and the isolated compounds 1 - 11 were investigated. All compounds exhibited peroxyl radical-scavenging capacity but only compounds 1 , 3 , and 4 showed potent reducing capacity. Moreover, compounds 1 , 2 , 4 , and 5 showed moderate effects on cellular antioxidant activity and inhibited the receptor activator of nuclear factor κB ligand (RANKL)-induced osteoclastic differentiation. These results suggested that H. erinaceum could be utilized in the development of natural antioxidant and anti-osteoporotic nutraceuticals and functional foods.

Supercritical Algal Extracts: A Source of Biologically Active Compounds from Nature

Directory of Open Access Journals (Sweden)

Izabela Michalak

2015-01-01

Full Text Available The paper discusses the potential applicability of the process of supercritical fluid extraction (SFE in the production of algal extracts with the consideration of the process conditions and yields. State of the art in the research on solvent-free isolation of biologically active compounds from the biomass of algae was presented. Various aspects related with the properties of useful compounds found in cells of microalgae and macroalgae were discussed, including their potential applications as the natural components of plant protection products (biostimulants and bioregulators, dietary feed and food supplements, and pharmaceuticals. Analytical methods of determination of the natural compounds derived from algae were discussed. Algal extracts produced by SFE process enable obtaining a solvent-free concentrate of biologically active compounds; however, detailed economic analysis, as well as elaboration of products standardization procedures, is required in order to implement the products in the market.

Anti-Inflammatory Activity of Compounds Isolated from Plants

Directory of Open Access Journals (Sweden)

R.M. Perez G.

2001-01-01

Full Text Available This review shows over 300 compounds isolated and identified from plants that previously demonstrated anti-inflammatory activity. They have been classified in appropriate chemical groups and data are reported on their pharmacological effects, mechanisms of action, and other properties.

Adsorption of aromatic compounds from the biodegradation of azo dyes on activated carbon

Science.gov (United States)

Faria, P. C. C.; Órfão, J. J. M.; Figueiredo, J. L.; Pereira, M. F. R.

2008-03-01

The adsorption of three selected aromatic compounds (aniline, sulfanilic acid and benzenesulfonic acid) on activated carbons with different surface chemical properties was investigated at different solution pH. A fairly basic commercial activated carbon was modified by means of chemical treatment with HNO 3, yielding an acid activated carbon. The textural properties of this sample were not significantly changed after the oxidation treatment. Equilibrium isotherms of the selected compounds on the mentioned samples were obtained and the results were discussed in relation to their surface chemistry. The influence of electrostatic and dispersive interactions involved in the uptake of the compounds studied was evaluated. The Freundlich model was used to fit the experimental data. Higher uptakes are attained when the compounds are present in their molecular form. In general, adsorption was disfavoured by the introduction of oxygen-containing groups on the surface of the activated carbon.

In vitro antimicrobial activity of extracts and isolated compound from Dalbergia stipulacea Roxb. leaves

Science.gov (United States)

Kumar, Arvind; Bhat, Tahir Ahmad; Singh, Rattan Deep

2017-07-01

The study was designed to examine the in vitro antimicrobial efficacy of extracts and isolated compound of Dalbergia stipulacea. Combined extracts (chloroform and methanol) of plant leaves fractionated with n-butanol loaded with column afforded a flavonoid glycoside compound identified as luteolin 4'-rutinoside. Different extracts and isolated compound exhibited pronounced antibacterial and antifungal varied activities against four bacteria (Clostridium acetobutylinium, Bacillus subtilis, Streptococcus mutans, and Pseudomonas sp.) and one fungus (Candida albicans) susceptibility were determined using disc diffusion method. The minimum inhibitory concentration (MIC) of extracts and isolated compounds was determined by broth dilution method. The maximum activity was shown by chloroform extract against C. albicans with a zone of inhibition of 17 mm and minimum activity was displayed by methanolic extract against Pseudomonas sp. with 5 mm. However, isolated compound has shown maximum activity against Pseudomonas sp. with 15 mm. The MIC values higher in methanol extract against Pseudomonas sp. and isolated compound shows good against Pseudomonas sp. and B. subtilis. Our findings indicate that plant could be used as a good antimicrobial agent in food, pharmaceutical and bio-pesticide industries.

Antibacterial assay-guided isolation of active compounds from Artocarpus heterophyllus heartwoods.

Science.gov (United States)

Septama, Abdi Wira; Panichayupakaranant, Pharkphoom

2015-01-01

Preparations from Artocarpus heterophyllus Lam. (Moraceae) heartwoods are used in the traditional folk medicine for the treatment of inflammation, malarial fever, and to prevent bacterial and fungal infections. The objective of this study was to isolate pure antibacterial compounds from A. heterophyllus heartwoods. The dried and powdered A. heterophyllus heartwoods were successively extracted with the following solvents: hexane, ethyl acetate, and methanol. Each of the extracts was screened for their antibacterial activities using a disc diffusion method (10 mg/disc). Their minimum inhibitory concentrations (MICs) and minimum bactericidal concentrations (MBCs) were determined using a broth microdilution method. The extract that showed the strongest antibacterial activities was fractionated to isolate the active compounds by an antibacterial assay-guided isolation process. The ethyl acetate extract exhibited the strongest antibacterial activities against Streptococcus mutans, S. pyogenes, and Bacillus subtilis with MIC values of 78, 39, and 9.8 µg/mL, respectively. Based on an antibacterial assay-guided isolation, four antibacterial compounds: cycloartocarpin (1), artocarpin (2), artocarpanone (3), and cyanomaclurin (4) were purified. Among these isolated compounds, artocarpin exhibited the strongest antibacterial activity against Gram-positive bacteria, including S. mutans, S. pyogenes, B. subtilis, Staphylococcus aureus, and S. epidermidis with MICs of 4.4, 4.4, 17.8, 8.9, and 8.9 µM, respectively, and MBCs of 8.9, 8.9, 17.8, 8.9, and 8.9 µM, respectively, while artocarpanone showed the strongest activity against Escherichia coli, a Gram-negative bacteria with MIC and MBC values of 12.9 and 25.8 µM, respectively. Only artocarpin showed inhibitory activity against Pseudomonas aeruginosa with an MIC of 286.4 µM.

Structural, electronic, optical and thermodynamic properties of cubic REGa{sub 3} (RE = Sc or Lu) compounds: Ab initio study

Energy Technology Data Exchange (ETDEWEB)

Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Laboratory, Department of Physics, Islamia College Peshawar (Pakistan); Gupta, S.K. [Department of Physics, Michigan Technological University, Houghton, MI 49931 (United States); Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Alahmed, Z.A. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Khachai, H. [Physics Department, Djillali Liabes University of Sidi Bel-Abbes (Algeria); Jha, P.K. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia)

2014-06-01

Highlights: • REGa{sub 3} (RE = Sc or Lu) compounds are mechanical stabile. • Both ScGa{sub 3} and LuGa{sub 3} exhibit metallic behavior just like other REGa{sub 3} compounds. • Melting temperature T{sub m} (K) for ScGa{sub 3} and LuGa{sub 3} are 1244.2 and 1143.8. • High absorption observed in the visible energy region. • The present study would be helpful for future experimental/theoretical explorations. - Abstract: Structural, elastic, optoelectronic and thermodynamic properties of REGa{sub 3} (RE = Sc and Lu) compounds have been studied self consistently by employing state of the art full potential (FP) linearized (L) approach of augmented plane wave (APW) plus local orbitals method. Calculations were executed at the level of Perdew–Burke and Ernzerhof (PBE) parameterized generalized gradient approximation (GGA) for exchange correlation functional in addition to modified Becke–Johnson (mBJ) potential. Our obtained results of lattice parameters show reasonable agreement to the previously reported experimental and other theoretical studies. Analysis of the calculated band structure of ScGa{sub 3} and LuGa{sub 3} compounds demonstrates their metallic character. Moreover, a positive value of calculated Cauchy pressure, in addition to reflecting their ductile nature, endorses their metallic character as well. To understand optical behavior calculations related to the important optical parameters; real and imaginary parts of the dielectric function, reflectivity R(ω), refractive index n(ω) and electron energy-loss function L(ω) have also been performed. In the present work, thermodynamically properties are also investigated by employing lattice vibrations integrated in quasi harmonic Debye model. Obtained results of volume, heat capacity and Debye temperature as a function of temperature for both compounds, at different values of pressure, are found to be consistent. The calculated value of melting temperature for both compounds (ScGa{sub 3} and Lu

Synthesis, structure, spectroscopic investigations, and computational studies of optically pure β-ketoamide

International Nuclear Information System (INIS)

Mtat, D.; Touati, R.; Guerfel, T.; Walha, K.; Ben Hassine, B.

2016-01-01

Chemical preparation, X-ray single crystal diffraction, IR and NMR spectroscopic investigations of a novel nonlinear optical organic compound (C 17 H 22 NO 2 Cl) are described. The compound crystallizes in the orthorhombic system with the non-centrosymmetric sp. gr. P2 1 2 1 2 1 . In the crystal structure, molecules are interconnected by N–H…O hydrogen bonds forming infinite chains along a axis. The Hirshfeld surface and associated fingerprint plots of the compound are presented to explore the nature of intermolecular interactions and their relative contributions in building the solid-state architecture. The molecular HOMO–LUMO compositions and their respective energy gaps are also drawn to explain the activity of the compound. The first hyperpolarizability β tot of the title compound is determined using DFT calculations. The optical properties are also investigated by UV–Vis absorption spectrum.

Plant compounds insecticide activity against Coleoptera pests of stored products

Energy Technology Data Exchange (ETDEWEB)

Moreira, Marcio Dionizio; Picanco, Marcelo Coutinho; Guedes, Raul Narciso Carvalho; Campos, Mateus Ribeiro de; Silva, Gerson Adriano; Martins, Julio Claudio [Universidade Federal de Vicosa (UFV), MG (Brazil). Dept. de Biologia Animal]. E-mail: marcio.dionizio@gmail.com; picanco@ufv.br; guedes@ufv.br; mateusc3@yahoo.com.br; agronomiasilva@yahoo.com.br

2007-07-15

The objective of this work was to screen plants with insecticide activity, in order to isolate, identify and assess the bioactivity of insecticide compounds present in these plants, against Coleoptera pests of stored products: Oryzaephilus surinamensis L. (Silvanidae), Rhyzopertha dominica F. (Bostrichidae) and Sitophilus zeamais Mots. (Curculionidae). The plant species used were: basil (Ocimum selloi Benth.), rue (Ruta graveolens L.), lion's ear (Leonotis nepetifolia (L.) R.Br.), jimson weed (Datura stramonium L.), baleeira herb (Cordia verbenacea L.), mint (Mentha piperita L.), wild balsam apple (Mormodica charantia L.), and billy goat weed or mentrasto (Ageratum conyzoides L.). The insecticide activity of hexane and ethanol extracts from those plants on R. dominica was evaluated. Among them, only hexane extract of A. conyzoides showed insecticide activity; the hexane extract of this species was successively fractionated by silica gel column chromatography, for isolation and purification of the active compounds. Compounds 5,6,7,8,3',4',5'-heptamethoxyflavone; 5,6,7,8,3'-pentamethoxy-4',5'-methilenedioxyflavone and coumarin were identified. However, only coumarin showed insecticide activity against three insect pests (LD{sub 50} from 2.72 to 39.71 mg g{sup -1} a.i.). The increasing order of insects susceptibility to coumarin was R. dominica, S. zeamais and O. surinamensis. (author)

Photovoltaic concentrator assembly with optically active cover

Science.gov (United States)

Plesniak, Adam P

2014-01-21

A photovoltaic concentrator assembly that includes a housing that defines an internal volume and includes a rim, wherein the rim defines an opening into the internal volume, a photovoltaic cell positioned in the internal volume, and an optical element that includes an optically active body and a flange extending outward from the body, wherein the flange is sealingly engaged with the rim of the housing to enclose the internal volume.

Porritoxins, metabolites of Alternaria porri, as anti-tumor-promoting active compounds.

Science.gov (United States)

Horiuchi, Masayuki; Tokuda, Harukuni; Ohnishi, Keiichiro; Yamashita, Masakazu; Nishino, Hoyoku; Maoka, Takashi

2006-02-01

To search for possible cancer chemopreventive agents from natural sources, we performed primary screening of metabolites of Alternaria porri by examining their possible inhibitory effects on Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorbol-13-acetate (TPA) in Raji cells. The ethyl acetate extract of A. porri showed the inhibitory effect on EBV-EA activation. Three porritoxins (1-3) were obtained as inhibitory active compounds for EBV-EA from ethyl acetate extract. 6-(3',3'-Dimethylallyloxy)-4-methoxy-5-methylphthalide (2) showed the strongest activity among them. Inhibitory effect of porritoxin (1) and (2) was superior to that of beta-carotene, a well-known anti-tumor promoter. Furthermore, the structure-activity correlation of porritoxins and their related compounds were discussed.

The fiber-optic imaging and manipulation of neural activity during animal behavior.

Science.gov (United States)

Miyamoto, Daisuke; Murayama, Masanori

2016-02-01

Recent progress with optogenetic probes for imaging and manipulating neural activity has further increased the relevance of fiber-optic systems for neural circuitry research. Optical fibers, which bi-directionally transmit light between separate sites (even at a distance of several meters), can be used for either optical imaging or manipulating neural activity relevant to behavioral circuitry mechanisms. The method's flexibility and the specifications of the light structure are well suited for following the behavior of freely moving animals. Furthermore, thin optical fibers allow researchers to monitor neural activity from not only the cortical surface but also deep brain regions, including the hippocampus and amygdala. Such regions are difficult to target with two-photon microscopes. Optogenetic manipulation of neural activity with an optical fiber has the advantage of being selective for both cell-types and projections as compared to conventional electrophysiological brain tissue stimulation. It is difficult to extract any data regarding changes in neural activity solely from a fiber-optic manipulation device; however, the readout of data is made possible by combining manipulation with electrophysiological recording, or the simultaneous application of optical imaging and manipulation using a bundle-fiber. The present review introduces recent progress in fiber-optic imaging and manipulation methods, while also discussing fiber-optic system designs that are suitable for a given experimental protocol. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

Effect of vanadium compounds on acid phosphatase activity.

Science.gov (United States)

Vescina, C M; Sálice, V C; Cortizo, A M; Etcheverry, S B

1996-01-01

The direct effect of different vanadium compounds on acid phosphatase (ACP) activity was investigated. Vanadate and vanadyl but not pervanadate inhibited the wheat germ ACP activity. These vanadium derivatives did not alter the fibroblast Swiss 3T3 soluble fraction ACP activity. Using inhibitors of tyrosine phosphatases (PTPases), the wheat germ ACP was partially characterized as a PTPase. This study suggests that the inhibitory ability of different vanadium derivatives to modulate ACP activity seems to depend on the geometry around the vanadium atom more than on the oxidation state. Our results indicate a correlation between the PTPase activity and the sensitivity to vanadate and vanadyl cation.

Natural products as a resource for biologically active compounds

International Nuclear Information System (INIS)

Hanke, F.J.

1986-01-01

The goal of this study was to investigate various sources of biologically active natural products in an effort to identify the active pesticidal compounds involved. The study is divided into several parts. Chapter 1 contains a discussion of several new compounds from plant and animal sources. Chapter 2 introduces a new NMR technique. In section 2.1 a new technique for better utilizing the lanthanide relaxation agent Gd(fod) 3 is presented which allows the predictable removal of resonances without line broadening. Section 2.2 discusses a variation of this technique for use in an aqueous solvent by applying this technique towards identifying the binding sites of metals of biological interest. Section 2.3 presents an unambiguous 13 C NMR assignment of melibiose. Chapter 3 deals with work relating to the molting hormone of most arthropods, 20-hydroxyecdysone. Section 3.1 discusses the use of two-dimensional NMR (2D NMR) to assign the 1 H NMR spectrum of this biologically important compound. Section 3.2 presents a new application for Droplet countercurrent chromatography (DCCC). Chapter 4 presents a basic improvement to the commercial DCCC instrument that is currently being applied to future commercial instruments. Chapter 5 discusses a curious observation of the effects that two previously known compounds, nagilactone C and (-)-epicatechin, have on lettuce and rice and suggest a possible new role for the ubiquitous flavanol (-)-epicatechin in plants

Synthesis and studies on structural, optical and nonlinear optical properties of novel organic inter-molecular compounds: 4-chloro-3-nitroaniline-3-hydroxy benzaldehyde and urea-4-dimethylaminopyridine

Science.gov (United States)

Pandey, Priyanka; Rai, R. N.

2018-05-01

Two novel organic inter-molecular compounds (IMCs), (3-(4-chloro-3-nitrophenylimino) methyl) phenol) (CNMP) and urea ̶ 4-dimethylaminopyridine complex (UDMAP), have been synthesized by solid state reaction. These two IMCs were identified by phase diagram study of CNA-HB and U-DMAP systems. The single crystals of newly obtained IMCs were grown by slow solvent evaporation technique at room temperature. Both the IMCs were further studied for their thermal, spectral, single crystal XRD for their atomic packing in molecule, crystallinity, optical and nonlinear optical behaviour. In both the cases, melting point of inter-molecular compounds was found to be higher than that of their parent components, CNMP was found to be thermally stable up to 158 °C while UDMAP was stable up to 144 °C, which indicate their extra stability than their parents. The single crystal XRD studies confirmed that CNMP has crystallized in orthorhombic unit cell with non-centrosymmetric space group P212121 while UDMAP has crystallized in monoclinic unit cell with centrosymmetric space group C2/c. The absorption spectrum of CNMP was found to be in between the absorption of parents, while broadening of peak and red shift was observed in UDMAP as compared to the parents. Second order nonlinear optical property of CNMP and UDMAP was studied using Kurtz Perry powder technique and intense green light emission was observed with CNMP on excitation with 1064 nm of Nd:YAG laser while no emission was observed with UDMAP.

Optical activity in planar chiral metamaterials: Theoretical study

International Nuclear Information System (INIS)

Bai, Benfeng; Svirko, Yuri; Turunen, Jari; Vallius, Tuomas

2007-01-01

A thorough theoretical study of the optical activity in planar chiral metamaterial (PCM) structures, made of both dielectric and metallic media, is conducted by the analysis of gammadion-shaped nanoparticle arrays. The general polarization properties are first analyzed from an effective-medium perspective, by analogy with natural optical activity, and then verified by rigorous numerical simulation, some of which are corroborated by previous experimental results. The numerical analysis suggests that giant polarization rotation (tens of degrees) may be achieved in the PCM structures with a thickness of only hundreds of nanometers. The artificial optical activity arises from circular birefringence induced by the structural chirality and is enhanced by the guided-mode or surface-plasmon resonances taking place in the structures. There are two polarization conversion types in the dielectric PCMs, whereas only one type in the metallic ones. Many intriguing features of the polarization property of PCMs are also revealed and explained: the polarization effect is reciprocal and vanishes in the symmetrically layered structures; the effect occurs only in the transmitted field, but not in the reflected field; and the polarization spectra of two enantiomeric PCM structures are mirror symmetric to each other. These remarkable properties pave the way for the PCMs to be used as polarization elements in new-generation integrated optical systems

Assessment of optical performance of three non-tracking, non-imaging, external compound parabolic concentrators designed for high temperature solar thermal collector units

OpenAIRE

Cisneros, Jesus

2010-01-01

The objective of this thesis is to perform a preliminary optical assessment of the external compound parabolic concentrator (XCPC) component in three concentrating solar thermal units. Each solar thermal unit consists an optical element (the non-imaging concentrating reflector) and a thermal element (the evacuated glass tube solar absorber). The three concentrating solar thermal units discussed in this work are DEWAR 58, a direct flow all-glass dewar, DEWAR 47 an indirect flow ...

A ranking method for the concurrent learning of compounds with various activity profiles.

Science.gov (United States)

Dörr, Alexander; Rosenbaum, Lars; Zell, Andreas

2015-01-01

In this study, we present a SVM-based ranking algorithm for the concurrent learning of compounds with different activity profiles and their varying prioritization. To this end, a specific labeling of each compound was elaborated in order to infer virtual screening models against multiple targets. We compared the method with several state-of-the-art SVM classification techniques that are capable of inferring multi-target screening models on three chemical data sets (cytochrome P450s, dehydrogenases, and a trypsin-like protease data set) containing three different biological targets each. The experiments show that ranking-based algorithms show an increased performance for single- and multi-target virtual screening. Moreover, compounds that do not completely fulfill the desired activity profile are still ranked higher than decoys or compounds with an entirely undesired profile, compared to other multi-target SVM methods. SVM-based ranking methods constitute a valuable approach for virtual screening in multi-target drug design. The utilization of such methods is most helpful when dealing with compounds with various activity profiles and the finding of many ligands with an already perfectly matching activity profile is not to be expected.

Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors

DEFF Research Database (Denmark)

Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Søren

2015-01-01

We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile...... and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body...... a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization....

Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors.

Science.gov (United States)

Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren; Bang, Ole

2015-12-01

We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization.

Antioxidant and Anti-Osteoporotic Activities of Aromatic Compounds and Sterols from Hericium erinaceum

Directory of Open Access Journals (Sweden)

Wei Li

2017-01-01

Full Text Available Hericium erinaceum, commonly called lion’s mane mushroom, is a traditional edible mushroom widely used in culinary applications and herbal medicines in East Asian countries. In this study, a new sterol, cerevisterol 6-cinnamate (6, was isolated from the fruiting bodies of H. erinaceum together with five aromatic compounds 1–5 and five sterols 7–11. The chemical structures of these compounds were elucidated using chemical and physical methods and comparison of HRESIMS, 1D-NMR (1H, 13C, and DEPT and 2D-NMR (COSY, HMQC, HMBC, and NOESY spectra with previously reported data. The antioxidant and anti-osteoporotic activities of extracts and the isolated compounds 1–11 were investigated. All compounds exhibited peroxyl radical-scavenging capacity but only compounds 1, 3, and 4 showed potent reducing capacity. Moreover, compounds 1, 2, 4, and 5 showed moderate effects on cellular antioxidant activity and inhibited the receptor activator of nuclear factor κB ligand (RANKL-induced osteoclastic differentiation. These results suggested that H. erinaceum could be utilized in the development of natural antioxidant and anti-osteoporotic nutraceuticals and functional foods.

Anti-trypanosomal activities and structural chemical properties of selected compound classes.

Science.gov (United States)

Ponte-Sucre, Alicia; Bruhn, Heike; Schirmeister, Tanja; Cecil, Alexander; Albert, Christian R; Buechold, Christian; Tischer, Maximilian; Schlesinger, Susanne; Goebel, Tim; Fuß, Antje; Mathein, Daniela; Merget, Benjamin; Sotriffer, Christoph A; Stich, August; Krohne, Georg; Engstler, Markus; Bringmann, Gerhard; Holzgrabe, Ulrike

2015-02-01

Potent compounds do not necessarily make the best drugs in the market. Consequently, with the aim to describe tools that may be fundamental for refining the screening of candidates for animal and preclinical studies and further development, molecules of different structural classes synthesized within the frame of a broad screening platform were evaluated for their trypanocidal activities, cytotoxicities against murine macrophages J774.1 and selectivity indices, as well as for their ligand efficiencies and structural chemical properties. To advance into their modes of action, we also describe the morphological and ultrastructural changes exerted by selected members of each compound class on the parasite Trypanosoma brucei. Our data suggest that the potential organelles targeted are either the flagellar pocket (compound 77, N-Arylpyridinium salt; 15, amino acid derivative with piperazine moieties), the endoplasmic reticulum membrane systems (37, bisquaternary bisnaphthalimide; 77, N-Arylpyridinium salt; 68, piperidine derivative), or mitochondria and kinetoplasts (88, N-Arylpyridinium salt; 68, piperidine derivative). Amino acid derivatives with fumaric acid and piperazine moieties (4, 15) weakly inhibiting cysteine proteases seem to preferentially target acidic compartments. Our results suggest that ligand efficiency indices may be helpful to learn about the relationship between potency and chemical characteristics of the compounds. Interestingly, the correlations found between the physico-chemical parameters of the selected compounds and those of commercial molecules that target specific organelles indicate that our rationale might be helpful to drive compound design toward high activities and acceptable pharmacokinetic properties for all compound families.

Quinolone Amides as Antitrypanosomal Lead Compounds with In Vivo Activity.

Science.gov (United States)

Hiltensperger, Georg; Hecht, Nina; Kaiser, Marcel; Rybak, Jens-Christoph; Hoerst, Alexander; Dannenbauer, Nicole; Müller-Buschbaum, Klaus; Bruhn, Heike; Esch, Harald; Lehmann, Leane; Meinel, Lorenz; Holzgrabe, Ulrike

2016-08-01

Human African trypanosomiasis (HAT) is a major tropical disease for which few drugs for treatment are available, driving the need for novel active compounds. Recently, morpholino-substituted benzyl amides of the fluoroquinolone-type antibiotics were identified to be compounds highly active against Trypanosoma brucei brucei Since the lead compound GHQ168 was challenged by poor water solubility in previous trials, the aim of this study was to introduce structural variations to GHQ168 as well as to formulate GHQ168 with the ultimate goal to increase its aqueous solubility while maintaining its in vitro antitrypanosomal activity. The pharmacokinetic parameters of spray-dried GHQ168 and the newly synthesized compounds GHQ242 and GHQ243 in mice were characterized by elimination half-lives ranging from 1.5 to 3.5 h after intraperitoneal administration (4 mice/compound), moderate to strong human serum albumin binding for GHQ168 (80%) and GHQ243 (45%), and very high human serum albumin binding (>99%) for GHQ242. For the lead compound, GHQ168, the apparent clearance was 112 ml/h and the apparent volume of distribution was 14 liters/kg of body weight (BW). Mice infected with T. b. rhodesiense (STIB900) were treated in a stringent study scheme (2 daily applications between days 3 and 6 postinfection). Exposure to spray-dried GHQ168 in contrast to the control treatment resulted in mean survival durations of 17 versus 9 days, respectively, a difference that was statistically significant. Results that were statistically insignificantly different were obtained between the control and the GHQ242 and GHQ243 treatments. Therefore, GHQ168 was further profiled in an early-treatment scheme (2 daily applications at days 1 to 4 postinfection), and the results were compared with those obtained with a control treatment. The result was statistically significant mean survival times exceeding 32 days (end of the observation period) versus 7 days for the GHQ168 and control treatments

Anti-inflammatory activities of compounds from twigs of Morus alba.

Science.gov (United States)

Tran, Huynh Nguyen Khanh; Nguyen, Van Thu; Kim, Jeong Ah; Rho, Seong Soo; Woo, Mi Hee; Choi, Jae Sui; Lee, Jeong-Hyung; Min, Byung Sun

2017-07-01

Five new compounds, 10-oxomornigrol F (1), (7″R)-(-)-6-(7″-hydroxy-3″,8″-dimethyl-2″,8″-octadien-1″-yl)apigenin (2), ramumorin A (3), ramumorin B (4), and (4S,7S,8R)-trihydroxyoctadeca-5Z-enoic acid (5), together with 31 known compounds (6-36), were isolated from the twigs of Morus alba (Moraceae). The chemical structures of these compounds were established using spectroscopic analyses, 1D and 2D NMR, high-resolution electrospray ionization mass spectrometry (HRESIMS), and Mosher's methods. The anti-inflammatory activities of the compounds were evaluated by investigating their ability to inhibit lipopolysaccharide (LPS)-induced nitric oxide (NO) production in macrophage RAW 264.7 cells. Compounds 1, 2, 13, 17, 19, 25-28, and 32 showed inhibitory effects with IC 50 values ranging from 2.2 to 5.3μg/mL. Compounds 1, 2, 17, 25, and 32 reduced LPS-induced inducible nitric oxide synthase (iNOS) expression in a concentration-dependent manner. In addition, pretreating the cells with compound 1, 17, and 32 significantly suppressed LPS-induced expression of cyclooxygenase-2 (COX-2) protein. Copyright © 2017. Published by Elsevier B.V.

Antibacterial activities of the extracts, fractions and compounds from Dioscorea bulbifera

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Kuete Victor

2012-11-01

Full Text Available Abstract Background Dioscorea bulbifera is an African medicinal plant used to treat microbial infections. In the present study, the methanol extract, fractions (DBB1 and DBB2 and six compounds isolated from the bulbils of D. bulbifera, namely bafoudiosbulbins A (1, B (2, C (3, F (4, G (5 and 2,7-dihydroxy-4-methoxyphenanthrene (6, were tested for their antimicrobial activities against Mycobacteria and Gram-negative bacteria involving multidrug resistant (MDR phenotypes expressing active efflux pumps. Methods The microplate alamar blue assay (MABA and the broth microdilution methods were used to determine the minimal inhibitory concentration (MIC and minimal bactericidal concentration (MBC of the above samples. Results The results of the MIC determinations indicated that when tested alone, the crude extract, fractions DBB1 and DBB2 as well as compounds 2 to 5 were able to prevent the growth of all the fifteen studied microorganisms, within the concentration range of 8 to 256 μg/mL. The lowest MIC value for the methanol extract and fractions (16 μg/mL was obtained with DBB1 and DBB2 on E, coli AG100A and DBB2 on Mycobacterium tuberculosis MTCS2. The lowest value for individual compounds (8 μg/mL was recorded with compound 3 on M. smegmatis and M. tuberculosis ATCC and MTCS2 strains respectively. The activity of the samples on many MDR bacteria such as Enterobacter aerogenes EA289, CM64, Klebsiella pneumoniae KP63 and Pseudomonas aeruginosa PA124 was better than that of chloramphenicol. When tested in the presence of the efflux pump inhibitor against MDR Gram-negative bacteria, the activity of most of the samples increased. MBC values not greater than 512 μg/mL were recorded on all studied microorganisms with fraction DBB2 and compounds 2 to 5. Conclusions The overall results of the present investigation provided evidence that the crude extract D. bulbifera as well as some of the compounds and mostly compounds 3 could be considered as potential

Synthesis and Antiplatelet Activity of Antithrombotic Thiourea Compounds: Biological and Structure-Activity Relationship Studies

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André Luiz Lourenço

2015-04-01

Full Text Available The incidence of hematological disorders has increased steadily in Western countries despite the advances in drug development. The high expression of the multi-resistance protein 4 in patients with transitory aspirin resistance, points to the importance of finding new molecules, including those that are not affected by these proteins. In this work, we describe the synthesis and biological evaluation of a series of N,N'-disubstituted thioureas derivatives using in vitro and in silico approaches. New designed compounds inhibit the arachidonic acid pathway in human platelets. The most active thioureas (compounds 3d, 3i, 3m and 3p displayed IC50 values ranging from 29 to 84 µM with direct influence over in vitro PGE2 and TXA2 formation. In silico evaluation of these compounds suggests that direct blockage of the tyrosyl-radical at the COX-1 active site is achieved by strong hydrophobic contacts as well as electrostatic interactions. A low toxicity profile of this series was observed through hemolytic, genotoxic and mutagenic assays. The most active thioureas were able to reduce both PGE2 and TXB2 production in human platelets, suggesting a direct inhibition of COX-1. These results reinforce their promising profile as lead antiplatelet agents for further in vivo experimental investigations.

Surface enhanced Raman optical activity (SEROA)

DEFF Research Database (Denmark)

Abdali, Salim; Blanch, E.W.

2008-01-01

Raman optical activity (ROA) directly monitors the stereochemistry of chiral molecules and is now an incisive probe of biomolecular structure. ROA spectra contain a wealth of information on tertiary folding, secondary structure and even the orientation of individual residues in proteins and nucleic...

Ultrafast chiroptical spectroscopy: Monitoring optical activity in quick time

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Hanju Rhee

2011-12-01

Full Text Available Optical activity spectroscopy provides rich structural information of biologically important molecules in condensed phases. However, a few intrinsic problems of conventional method based on electric field intensity measurement scheme prohibited its extension to time domain technique. We have recently developed new types of optical activity spectroscopic methods capable of measuring chiroptical signals with femtosecond pulses. It is believed that these novel approaches will be applied to a variety of ultrafast chiroptical studies.

Synthesis, structure, spectroscopic investigations, and computational studies of optically pure β-ketoamide

Energy Technology Data Exchange (ETDEWEB)

Mtat, D.; Touati, R. [Université de Monastir, Laboratoire de Synthèse Organique Asymétrique et Catalyse Homogène (UR11ES56), Faculté des Sciences (Tunisia); Guerfel, T., E-mail: taha-guerfel@yahoo.fr [Université de Kairouan, Laboratoire d’Electrochimie, Matériaux et Environnement (Tunisia); Walha, K. [Université de Sfax, M.E.S.Lab. Faculté des Sciences de Sfax (Tunisia); Ben Hassine, B. [Université de Monastir, Laboratoire de Synthèse Organique Asymétrique et Catalyse Homogène (UR11ES56), Faculté des Sciences (Tunisia)

2016-12-15

Chemical preparation, X-ray single crystal diffraction, IR and NMR spectroscopic investigations of a novel nonlinear optical organic compound (C{sub 17}H{sub 22}NO{sub 2}Cl) are described. The compound crystallizes in the orthorhombic system with the non-centrosymmetric sp. gr. P2{sub 1}2{sub 1}2{sub 1}. In the crystal structure, molecules are interconnected by N–H…O hydrogen bonds forming infinite chains along a axis. The Hirshfeld surface and associated fingerprint plots of the compound are presented to explore the nature of intermolecular interactions and their relative contributions in building the solid-state architecture. The molecular HOMO–LUMO compositions and their respective energy gaps are also drawn to explain the activity of the compound. The first hyperpolarizability β{sub tot} of the title compound is determined using DFT calculations. The optical properties are also investigated by UV–Vis absorption spectrum.

Minimal-effort planning of active alignment processes for beam-shaping optics

Science.gov (United States)

Haag, Sebastian; Schranner, Matthias; Müller, Tobias; Zontar, Daniel; Schlette, Christian; Losch, Daniel; Brecher, Christian; Roßmann, Jürgen

2015-03-01

In science and industry, the alignment of beam-shaping optics is usually a manual procedure. Many industrial applications utilizing beam-shaping optical systems require more scalable production solutions and therefore effort has been invested in research regarding the automation of optics assembly. In previous works, the authors and other researchers have proven the feasibility of automated alignment of beam-shaping optics such as collimation lenses or homogenization optics. Nevertheless, the planning efforts as well as additional knowledge from the fields of automation and control required for such alignment processes are immense. This paper presents a novel approach of planning active alignment processes of beam-shaping optics with the focus of minimizing the planning efforts for active alignment. The approach utilizes optical simulation and the genetic programming paradigm from computer science for automatically extracting features from a simulated data basis with a high correlation coefficient regarding the individual degrees of freedom of alignment. The strategy is capable of finding active alignment strategies that can be executed by an automated assembly system. The paper presents a tool making the algorithm available to end-users and it discusses the results of planning the active alignment of the well-known assembly of a fast-axis collimator. The paper concludes with an outlook on the transferability to other use cases such as application specific intensity distributions which will benefit from reduced planning efforts.

Active compounds from cyanobacteria and microalgae: properties and potential applications in biomedicine

Directory of Open Access Journals (Sweden)

Alexey Llopiz

2016-05-01

Full Text Available Cyanobacteria and microalgae are source of many chemicals substances with potential applications on biopharmaceutical industry. Many structures have been characterized in these organism, such as: peptides, proteins, carbohydrates, terpenoids, polyinsatured fatty acids, flavonoids, phenolic compounds, vitamins, porfirins and other organic substances. Chemicals structures of isolated compounds are diverse and it depends of microalgae habitats. Pharmacological activities located in microalgae are bactericides, immunomodulatory, antioxidants, cytoprotective, fungicides and antivirals. These properties may possible the potential treatment of many diseases including autoimmunes disorders, tumoral, and infectious process. In this review are presented and discussed some elements associated to chemical structure and biological activities around of compounds with potential uses as biopharmaceuticals.

Tunability of photoswitchable ruthenium sulfoxide compounds on the basis of ligand substitution

Energy Technology Data Exchange (ETDEWEB)

Eicke, Sebastian; Dieckmann, Volker; Springfeld, Kristin; Imlau, Mirco [Deparment of Physics, University of Osnabrueck (Germany)

2010-07-01

Photoswitchable ruthenium sulfoxide compounds provide a light-induced linkage isomerization in combination with pronounced changes in characteristic optical properties. As representative of the ruthenium sulfoxide group the molecular compound [Ru(bpy){sub 2}(R-OSO)]{sup +} (OSO: 2-methylsulfinylbenzoate) can be tuned in its optical properties by the substitution of the photoswitchable ligands (R=Bn, BnCl, BnMe). These modified sulfoxides were studied in respect to their photochromic properties and kinetics of the generation and relaxation of the light-induced isomers. The kinetics were determined by pump-probe technique and show in each case two reversible thermal decay processes following Arrhenius law. The two photo-excited states offer lifetimes in the magnitude of {tau}{sub 1}{approx}10{sup 3} s and {tau}{sub 2}{approx}10{sup 4} s at room temperature with activation energies about E{sub A,I}=0.72 eV to 0.92 eV and E{sub A,II}=0.8 eV to 1.00 eV. Another respresentative of the photoswitchable sulfoxides is the [Ru(bpy){sub 2}(pySO)]{sup 2+} compound. This molecule is the first sulfoxide which allows for reversible switching between the ground and metastable states by light exposure. With this compound the sulfoxides are highly qualified for optical data storage on a molecular scale.

Anti-plasmodial activity of Dicoma tomentosa (Asteraceae) and identification of urospermal A-15-O-acetate as the main active compound

Science.gov (United States)

2012-01-01

Background Natural products could play an important role in the challenge to discover new anti-malarial drugs. In a previous study, Dicoma tomentosa (Asteraceae) was selected for its promising anti-plasmodial activity after a preliminary screening of several plants traditionally used in Burkina Faso to treat malaria. The aim of the present study was to further investigate the anti-plasmodial properties of this plant and to isolate the active anti-plasmodial compounds. Methods Eight crude extracts obtained from D. tomentosa whole plant were tested in vitro against two Plasmodium falciparum strains (3D7 and W2) using the p-LDH assay (colorimetric method). The Peters’ four-days suppressive test model (Plasmodium berghei-infected mice) was used to evaluate the in vivo anti-plasmodial activity. An in vitro bioguided fractionation was undertaken on a dichloromethane extract, using preparative HPLC and TLC techniques. The identity of the pure compound was assessed using UV, MS and NMR spectroscopic analysis. In vitro cytotoxicity against WI38 human fibroblasts (WST-1 assay) and haemolytic activity were also evaluated for extracts and pure compounds in order to check selectivity. Results The best in vitro anti-plasmodial results were obtained with the dichloromethane, diethylether, ethylacetate and methanol extracts, which exhibited a high activity (IC50 ≤ 5 μg/ml). Hot water and hydroethanolic extracts also showed a good activity (IC50 ≤ 15 μg/ml), which confirmed the traditional use and the promising anti-malarial potential of the plant. The activity was also confirmed in vivo for all tested extracts. However, most of the active extracts also exhibited cytotoxic activity, but no extract was found to display any haemolytic activity. The bioguided fractionation process allowed to isolate and identify a sesquiterpene lactone (urospermal A-15-O-acetate) as the major anti-plasmodial compound of the plant (IC50 < 1 μg/ml against both 3D7 and W2 strains). This was also

Synthesis of optically active dodecaborate-containing L-amino acids for BNCT

Energy Technology Data Exchange (ETDEWEB)

Kusaka, Shintaro [Department of Bioscience and Informatics, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai (Japan); Hattori, Yoshihide, E-mail: y0shi_hattori@riast.osakafu-u.ac.jp [Department of Bioscience and Informatics, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai (Japan); Uehara, Kouki; Asano, Tomoyuki [Stella Pharma Corporation, ORIX Kouraibashi Bldg. 5F 3-2-7 Kouraibashi, Chuo-ku, Osaka (Japan); Tanimori, Shinji; Kirihata, Mitsunori [Department of Bioscience and Informatics, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai (Japan)

2011-12-15

A convenient and simple synthetic method of dodecaboratethio-L-amino acid, a new class of tumor-seeking boron carrier for BNCT, was accomplished from S-cyanoethylthioundecahydro-closo-dodecaborate (S-cyanoethyl-{sup 10}BSH, [{sup 10}B{sub 12}H{sub 11}]{sup 2-}SCH{sub 2}CH{sub 2}CN) and bromo-L-{alpha}-amino acids by nearly one step S-alkylation. An improved synthesis of S-cyanoethyl-{sup 10}BSH, a key starting compound for S-alkylation, was also performed by Michael addition of {sup 10}BSH with acryronitrile in high yield. Four kinds of new dodecaboratethio-L-amino acids were obtained in optically pure form without the need for any optical resolution.

Specific features of band structure and optical anisotropy of Cu{sub 2}CdGeSe{sub 4} quaternary compounds

Energy Technology Data Exchange (ETDEWEB)

Brik, M.G., E-mail: brik@fi.tartu.ee [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Parasyuk, O.V. [Department of Chemistry, Eastern European National University, Voli 13, Lutsk 43025 (Ukraine); Myronchuk, G.L. [Department of Physics, Eastern European National University, Voli 13, Lutsk 43025 (Ukraine); Kityk, I.V. [Institute of Materials Science and Engineering, Technical University of Czestochowa, Al. Armii Krajowej 19, 42-200 Czestochowa (Poland)

2014-09-15

Complex theoretical and experimental studies of the band structure and optical functions of a new Cu{sub 2}CdGeSe{sub 4} quaternary crystal are reported. The benchmark band structure calculations were performed using the first-principles methods. As a result, the structural, electronic, optical and elastic properties of Cu{sub 2}CdGeSe{sub 4} were calculated in the general gradient approximation (GGA) and local density approximation (LDA). The calculated dielectric function and optical absorption spectra exhibit some anisotropic behavior. Detailed analysis of the band energy dispersion and effective space charge density helped in establishing the origin of the band structure anisotropy. All calculated properties are compared with the experimental data. An additional comparison with a similar crystal of Cu{sub 2}CdGeSe{sub 4} allowed to reveal the role played by the anions (S or Se) in formation of the optical properties of these two materials. - Highlights: • The structural, electronic, optical properties of Cu{sub 2}CdGeSe{sub 4} were calculated. • Pressure effects on these properties were modeled. • Comparison with a similar compound of Cu{sub 2}CdGeS{sub 4} was performed.

New Benzimidazole-1,2,4-Triazole Hybrid Compounds: Synthesis, Anticandidal Activity and Cytotoxicity Evaluation

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Hülya Karaca Gençer

2017-03-01

Full Text Available Owing to the growing need for antifungal agents, we synthesized a new series 2-((5-(4-(5-substituted-1H-benzimidazol-2-ylphenyl-4-substituted-4H-1,2,4-triazol-3-ylthio-1-(substitutedphenylethan-1-one derivatives, which were tested against Candida species. The synthesized compounds were characterized and elucidated by FT-IR, 1H-NMR, 13C-NMR and HR-MS spectroscopies. The synthesized compounds were screened in vitro anticandidal activity against Candida species by broth microdiluation methods. In vitro cytotoxic effects of the final compounds were determined by MTT assay. Microbiological studies revealed that compounds 5m, 5o, 5r, 5t, 5y, 5ab, and 5ad possess a good antifungal profile. Compounds 5w was the most active derivative and showed comparable antifungal activity to those of reference drugs ketoconazole and fluconazole. Cytotoxicity evaluation of compounds 5m, 5o, 5r, 5w, 5y, 5ab and 5ad showed that compounds 5w and 5ad were the least cytotoxic agents. Effects of these two compounds against ergosterol biosynthesis were observed by LC-MS-MS method, which is based on quantification of ergosterol level in C. albicans. Compounds 5w and 5d inhibited ergosterol biosynthesis concentration dependently. A fluorescence microscopy study was performed to visualize effect of compound 5w against C. albicans at cellular level. It was determined that compound 5w has a membrane damaging effect, which may be related with inhibition of biosynthesis of ergosterol.

Optical control of antibacterial activity

Science.gov (United States)

Velema, Willem A.; van der Berg, Jan Pieter; Hansen, Mickel J.; Szymanski, Wiktor; Driessen, Arnold J. M.; Feringa, Ben L.

2013-11-01

Bacterial resistance is a major problem in the modern world, stemming in part from the build-up of antibiotics in the environment. Novel molecular approaches that enable an externally triggered increase in antibiotic activity with high spatiotemporal resolution and auto-inactivation are highly desirable. Here we report a responsive, broad-spectrum, antibacterial agent that can be temporally activated with light, whereupon it auto-inactivates on the scale of hours. The use of such a ‘smart’ antibiotic might prevent the build-up of active antimicrobial material in the environment. Reversible optical control over active drug concentration enables us to obtain pharmacodynamic information. Precisely localized control of activity is achieved, allowing the growth of bacteria to be confined to defined patterns, which has potential for the development of treatments that avoid interference with the endogenous microbial population in other parts of the organism.

Antifeedant compounds from three species of Apiaceae active against the field slug, Deroceras reticulatum (Muller).

Science.gov (United States)

Birkett, Michael A; Dodds, Catherine J; Henderson, Ian F; Leake, Lucy D; Pickett, John A; Selby, Martin J; Watson, Peter

2004-03-01

Extracts of volatiles from foliage of three plants in the Apiaceae, Conium maculatum L. (hemlock), Coriandrum sativum L. (coriander), and Petroselinum crispum Mill. (Nym.) (parsley), previously shown to exhibit antifeedant activity in assays with the field slug, Deroceras reticulatum (Muller) (Limacidae: Pulmonata), were studied further to identify the active components. Coupled gas chromatography-mass spectrometry (GC-MS) and neurophysiological assays using tentacle nerve preparations resulted in the identification of 11 active compounds from the three extracts. Wheat flour feeding bioassays were used to determine which of these compounds had the highest antifeedant activity. One of the most active compounds was the alkaloid gamma-coniceine, from C. maculatum. The role of potentially toxic alkaloids as semiochemicals and the potential for using such compounds as crop protection agents to prevent slug feeding damage is discussed.

Production and characterization of surface-active compounds from Gordonia amicalis

Directory of Open Access Journals (Sweden)

Ani Beatriz Jackisch-Matsuura

2014-02-01

Full Text Available Two methods were used to make crude preparations of surface-active compounds (SACs produced by Gordonia amicalis grown on the medium containing 1% diesel oil. Using a 2:1 (v/v solution of chloroform:methanol for extraction, Type I SACs were isolated and shown to produce oil in water (O/W emulsions. Type II SACs were isolated by precipitation with ammonium sulfate and produced predominantly water in oil emulsions (W/O. The crude Type I and II preparations were able to produce a significant reduction in the surface tension of water; however, the crude Type II preparation had 10-25 fold higher emulsification activity than the Type I preparation. Both SAC preparations were analyzed by the TLC and each produced two distinct bands with Rf 0.44 and 0.62 and Rf 0.52 and 0.62, respectively. The partially purified SACs were characterized by the ESI(+-MS, FT-IR and NMR. In each one of these fractions, a mixture of 10 oligomers was found consisting of a series of compounds, with masses from 502 to 899, differing in molecular mass by a repeating unit of 44 Daltons. The mass spectra of these compounds did not appear to match other known biosurfactants and could represent a novel class of these compounds.

Adsorption of Volatile Organic Compounds from Aqueous Solution by Granular Activated Carbon in Batch System

International Nuclear Information System (INIS)

Zeinali, F.; Ghoreyshi, A. A.; Najafpour, G.

2011-01-01

Chlorinated hydrocarbons and aromatics are the major volatile organic compounds that contaminate the ground water and industrial waste waters. The best way to overcome this problem is to recover the dissolved compounds in water. In order to evaluate the potential ability of granular activated carbon for recovery of volatile organic compounds from water, the equilibrium adsorption was investigated. This study deals with the adsorption of dichloromethane as a typical chlorinated volatile organic compound and toluene as the representative of aromatic volatile organic compounds on a commercial granular activated carbon. The adsorption isotherms of these two volatile organic compounds on granular activated carbon were measured at three different temperatures, toluene at 293, 303 and 313 K and dichloromethane at 298, 303 and 313 K within their solubility concentration range in water. The maximum adsorption capacity of dichloromethane and toluene adsorption by granular activated carbon was 4 and 0.2 mol/Kg-1, respectively. The experimental data obtained were correlated with different adsorption isotherm models. The Langmuir model was well adapted to the description of dichloromethane adsorption on granular activated carbon at all three temperatures, while the adsorption of toluene on granular activated carbon was found to be well described by the Langmuir-BET hybrid model at all three temperatures. The heat of adsorption was also calculated based on the thermodynamic equation of Clausius Clapeyron, which indicates the adsorption process is endothermic for both compounds.

Tapered Optical Fiber Functionalized with Palladium Nanoparticles by Drop Casting and Laser Radiation for H₂ and Volatile Organic Compounds Sensing Purposes.

Science.gov (United States)

González-Sierra, Nancy Elizabeth; Gómez-Pavón, Luz Del Carmen; Pérez-Sánchez, Gerardo Francisco; Luis-Ramos, Arnulfo; Zaca-Morán, Plácido; Muñoz-Pacheco, Jesús Manuel; Chávez-Ramírez, Francisco

2017-09-06

A comparative study on the sensing properties of a tapered optical fiber pristine and functionalized with the palladium nanoparticles to hydrogen and volatile organic compounds (VOCs), is presented. The sensor response and, response/recovery times were extracted from the measurements of the transient response of the device. The tapered optical fiber sensor was fabricated using a single-mode optical fiber by the flame-brushing technique. Functionalization of the optical fiber was performed using an aqueous solution of palladium chloride by drop-casting technique assisted for laser radiation. The detection principle of the sensor is based on the changes in the optical properties of palladium nanoparticles when exposed to reducing gases, which causes a variation in the absorption of evanescent waves. A continuous wave laser diode operating at 1550 nm is used for the sensor characterization. The sensor functionalized with palladium nanoparticles by this technique is viable for the sensing of hydrogen and VOCs, since it shows an enhancement in sensor response and response time compared to the sensor based on the pristine optical microfiber. The results show that the fabricated sensor is competitive with other fiber optic sensors functionalized with palladium nanoparticles to the hydrogen.

Characterization of key aroma-active compounds in lychee (Litchi chinensis Sonn.

Directory of Open Access Journals (Sweden)

Shi Feng

2018-04-01

Full Text Available Volatile compounds in ‘Sweetheart’ lychee were examined using gas chromatography-olfactometry/mass spectrometry (GC-O/MS. Solvent assisted flavor evaporation (SAFE technique was used to identify the aroma-active compounds in lychee. Further characterization of the most important odorants in ‘Sweetheart’ lychee was achieved using aroma extract dilution analysis (AEDA. Thirty-one key aroma-active odorants were identified in the flavor dilution (FD factor range of 2–1024. Methional (cooked potato and geraniol (sweet, floral exhibited the highest FD factors of 1024 and 512, respectively, these were followed by furaneol (sweet, caramel, nerol (floral, sweet, dimethyl trisulfide (DMTS (preserved vegetable, sulfury, linalool (floral, (E,Z-2,6 nonadienal (cucumber and nerolidol (metalic, sesame oil. Furthermore, the flavor profile of ‘Sweetheart’ lychee was described by sensory analysis. Floral, tropical fruit, peach/apricot and honey were scored with relatively high scores for each aroma attribute. The sweetness rating was the highest score among all the attributes. Keywords: AEDA, Aroma-active compounds, GC-MS/O, SAFE, Sensory analysis

Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

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Nazudin

2012-08-01

Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

Efficient discovery of responses of proteins to compounds using active learning

Science.gov (United States)

2014-01-01

Background Drug discovery and development has been aided by high throughput screening methods that detect compound effects on a single target. However, when using focused initial screening, undesirable secondary effects are often detected late in the development process after significant investment has been made. An alternative approach would be to screen against undesired effects early in the process, but the number of possible secondary targets makes this prohibitively expensive. Results This paper describes methods for making this global approach practical by constructing predictive models for many target responses to many compounds and using them to guide experimentation. We demonstrate for the first time that by jointly modeling targets and compounds using descriptive features and using active machine learning methods, accurate models can be built by doing only a small fraction of possible experiments. The methods were evaluated by computational experiments using a dataset of 177 assays and 20,000 compounds constructed from the PubChem database. Conclusions An average of nearly 60% of all hits in the dataset were found after exploring only 3% of the experimental space which suggests that active learning can be used to enable more complete characterization of compound effects than otherwise affordable. The methods described are also likely to find widespread application outside drug discovery, such as for characterizing the effects of a large number of compounds or inhibitory RNAs on a large number of cell or tissue phenotypes. PMID:24884564

Antimicrobial and acetylcholinesterase inhibitory activities of Buddleja salviifolia (L.) Lam. leaf extracts and isolated compounds.

Science.gov (United States)

Pendota, S C; Aderogba, M A; Ndhlala, A R; Van Staden, J

2013-07-09

Buddleja salviifolia leaves are used for the treatment of eye infections and neurodegenerative conditions by various tribes in South Africa. This study was designed to isolate the phenolic constituents from the leaf extracts of Buddleja salviifolia and evaluate their antimicrobial and acetylcholinesterase (AChE) activities. Three phenolic compounds were isolated from the ethyl acetate fraction of a 20% aqueous methanol leaf extract of Buddleja salviifolia using Sephadex LH-20 and silica gel columns. Structure elucidation of the isolated compounds was carried out using spectroscopic techniques: mass spectrometry (ESI-TOF-MS) and NMR (1D and 2D). The extracts and isolated compounds were evaluated for antimicrobial and acetylcholinesterase activities using the microdilution technique. The bacteria used for the antimicrobial assays were Gram-positive Bacillus subtilis and Staphylococcus aureus and Gram-negative Escherichia coli and Klebsiella pneumoniae. The isolated compounds were characterized as: 4'-hydroxyphenyl ethyl vanillate (1) a new natural product, acteoside (2) and quercetin (3). The crude extract, fractions and the isolated compounds from the leaves of the plant exhibited a broad spectrum of antibacterial activity. The EtOAc fraction exhibited good activity against Bacillus subtilis and Staphylococcus aureus with MIC values ranging from 780.0 to 390.0 µg/mL. Isolated compound 2 exhibited good activity against Staphylococcus aureus with an MIC value of 62.5 µg/mL. The hexane and DCM fractions of leaves showed the best activity against Candida albicans with MIC and MFC values of 390.0 µg/mL. In the AChE inhibitory test, among the tested extracts, the hexane fraction was the most potent with an IC50 value of 107.4 µg/mL, whereas for the isolated compounds, it was compound (3) (quercetin) with an IC50 value of 66.8 µg/mL. Activities demonstrated by the extracts and isolated compounds support the ethnopharmacological use of Buddleja salviifolia against eye

Synthesis and anti-lung cancer activity of a novel arsenomolybdate compound

Science.gov (United States)

Zhu, Tian-Tian; Wang, Juan; Chen, Song-Hu

2017-12-01

The new compound based on Wells-Dawson-type arsenomolybdate: [{Cu10(pz)11Cl4}{As2IIIAs2VMo6VMo12VIO62}]·H2O (1) has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction analysis, X-ray powder diffraction (XRPD), XPS spectroscopy and thermogravimetric analysis (TG). Compound 1 is consisted of two As caps Wells-dawson-type arsenomolybdate and {Cu10(py)11} complexes by chloride bridge. In addition, the antitumor effects of the title compound 1 were studied on three human lung cancer cells (A549, SK-LU-1 and SW1573). The results showed that compared with the positive reference drug carboplatin, compound 1 displayed efficient antitumor activity.

Polarized electrons and the origin of optical activity

International Nuclear Information System (INIS)

Bonner, W.A.; Dort, M.A. Van; Yearian, M.R.; Zeman, H.D.; Li, G.C.; Stanford Univ., Calif.

1976-01-01

The history of experiments bearing on the origin of optical acitivity in nature by parity non-conservation during the β-decay of radioactive isotopes is briefly reviewed. Following this, we present a more detailed description of our recent published and unpublished data and calculations regarding the generation of optical activity in DL-leucine by means of artificially produced longitudinally polarized electrons from a linear accelerator

Comparison of Active Vitamin D Compounds and a Calcimimetic in Mineral Homeostasis

OpenAIRE

Nguyen-Yamamoto, Loan; Bolivar, Isabel; Strugnell, Stephen A.; Goltzman, David

2010-01-01

The differential effects between cinacalcet and active vitamin D compounds on parathyroid function, mineral metabolism, and skeletal function are incompletely understood. Here, we studied cinacalcet and active vitamin D compounds in mice expressing the null mutation for Cyp27b1, which encodes 25-hydroxyvitamin D-1α-hydroxylase, thereby lacking endogenous 1,25-dihydroxyvitamin D3 [1,25(OH)2D3]. Vehicle-treated mice given high dietary calcium had hypocalcemia, hypophosphatemia, and marked secon...

Molecular docking for thrombolytic activity of some isolated compounds from Clausena lansium.

Directory of Open Access Journals (Sweden)

Arkajyoti Paul

2017-03-01

Full Text Available Clausena lansium (Family- Rutaceae is commonly known as wampee, is found in fallow lands throughout Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Clausena lansium, namely Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid and Xanthotoxol for searching of lead molecule for thrombolytic activity. A wide range of docking score found during molecular docking by Schrodinger. Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol showed the docking score -6.926, -4.041, -4.889 , -4.356, -3.007 and -5.816 respectively. Among all the compounds Clausemarin B showed the best docking score. So, Clausemarin B is the best compounds for thrombolytic activity, as it possessed the best value in Molecular docking. Further in vivo investigation need to identify the thrombolytic activity of isolated compounds from Clausena lansium.

Optical Assessment of Caries Lesion Structure and Activity

Science.gov (United States)

Lee, Robert Chulsung

New, more sophisticated diagnostic tools are needed for the detection and characterization of caries lesions in the early stages of development. It is not sufficient to simply detect caries lesions, methods are needed to assess the activity of the lesion and determine if chemical or surgical intervention is needed. Previous studies have demonstrated that polarization sensitive optical coherence tomography (PS-OCT) can be used to nondestructively image the subsurface lesion structure and measure the thickness of the highly mineralized surface zone. Other studies have demonstrated that the rate of dehydration can be correlated with the lesion activity and that the rate can be measured using optical methods. The main objective of this work was to test the hypothesis that optical methods can be used to assess lesion activity on tooth coronal and root surfaces. Simulated caries models were used to develop and validate an algorithm for detecting and measuring the highly mineralized surface layer using PS-OCT. This work confirmed that the algorithm was capable of estimating the thickness of the highly mineralized surface layer with high accuracy. Near-infrared (NIR) reflectance and thermal imaging methods were used to assess activity of caries lesions by measuring the state of lesion hydration. NIR reflectance imaging performed the best for artificial enamel and natural coronal caries lesion samples, particularly at wavelengths coincident with the water absorption band at 1460-nm. However, thermal imaging performed the best for artificial dentin and natural root caries lesion samples. These novel optical methods outperformed the conventional methods (ICDAS II) in accurately assessing lesion activity of natural coronal and root caries lesions. Infrared-based imaging methods have shown potential for in-vivo applications to objectively assess caries lesion activity in a single examination. It is likely that if future clinical trials are a success, this novel imaging

Phenolic Compounds from the Leaves of Stewartia pseudocamellia Maxim. and their Whitening Activities.

Science.gov (United States)

Roh, Hyun Jung; Noh, Hye-Ji; Na, Chun Su; Kim, Chung Sub; Kim, Ki Hyun; Hong, Cheol Yi; Lee, Kang Ro

2015-05-01

The half-dried leaves of Stewartia. pseudocamellia were extracted with hot water (SPE) and partitioned with n-hexane (SPEH), dichloromethane (SPED), and ethyl acetate (SPEE) successively. SPE and SPEE showed significant inhibitory effects against melanogenesis and tyrosinase activities. By bioassay-guided isolation, ten phenolic compounds were isolated by column chromatography from SPEE. The whitening effect of the isolated compounds from SPEE were tested for the inhibitory activities against melanogenesis using B16 melanoma cells, in vitro inhibition of tyrosinase, and L-3,4-dihydorxy-indole-2-carboxylic acid (L-DOPA) auto-oxidation assay. A cytotoxic activity assay was done to examine the cellular toxicity in Raw 264.7 macrophage cells. Of the compounds isolated, gallic acid and quercetin revealed significant inhibitory activities against melanogenesis compared to arbutin. In particular, quercetin exhibited similar inhibitory activities against tyrosinase and L-DOPA oxidation without cytotoxicity. These results suggested that SPE could be used as a potential source of natural skin-whitening material in cosmetics as well as in food products.

Low-frequency active surface plasmon optics on semiconductors

NARCIS (Netherlands)

Gómez Rivas, J.; Kuttge, M.; Kurz, H.; Haring Bolivar, P.; Sánchez-Gil, J.A.

2006-01-01

A major challenge in the development of surface plasmon optics or plasmonics is the active control of the propagation of surface plasmon polaritons (SPPs). Here, we demonstrate the feasibility of low-frequency active plasmonics using semiconductors. We show experimentally that the Bragg scattering

Active Star Architectures For Fiber Optics Ethernet

Science.gov (United States)

Linde, Yoseph L.

1988-12-01

Ethernet, and the closely related IEEE 802.3 CSMA/CD standard (Carrier Sense Multiple Access with Collision Detection), is probably the widest used method for high speed Local Area Networks (LANs). The original Ethernet medium was baseband coax but the wide acceptance of the system necessitated the ability to use Ethernet on a variety of media. So far the use of Ethernet on Thin Coax (CheaperNet), Twisted Pair (StarLan) and Broadband Coax has been standardized. Recently, an increased interest in Fiber Optic based LANs resulted in a formation of an IEEE group whose charter is to recommend approaches for Active and Passive Fiber Optic Ethernet systems. The various approaches which are being considered are described in this paper with an emphasis on Active Star based systems.

Active Compound of Zingiber Cassumunar Roxb. Down-Regulates ...

African Journals Online (AJOL)

MMPs activities in the culture media were analyzed by zymographic techniques. Dexamethasone was used as the positive control. It was found that compound D at the concentration of 10 - 100 µM significantly decreased the mRNA expressions of MMP-1, -2, -3, and -13 which was induced by IL-1ß (P<0.05) concomitantly ...

Electrochemical screening of biomembrane-active compounds in water

Energy Technology Data Exchange (ETDEWEB)

Mohamadi, Shahrzad, E-mail: cmsm@leeds.ac.uk; Tate, Daniel J.; Vakurov, Alexander; Nelson, Andrew

2014-02-01

Graphical abstract: - Highlights: • Analytical technology application with improvement allowing for on-line high-throughput water toxin screening is presented. • Compound classes of related structure and shape interact with DOPC coated Pt/Hg with a class specific response. • Predecessor membrane system proved as fragile, complex and for environmental application incompatible. - Abstract: Interactions of biomembrane-active compounds with phospholipid monolayers on microfabricated Pt/Hg electrodes in an on-line high throughput flow system are demonstrated by recording capacitance current peak changes as rapid cyclic voltammograms (RCV). Detection limits of the compounds’ effects on the layer have been estimated from the data. Compounds studied include steroids, polycyclic aromatic hydrocarbons, tricyclic antidepressants and tricyclic phenothiazines. The results show that the extent and type of interaction depends on the—(a) presence and number of aromatic rings and substituents, (b) presence and composition of side chains and, (c) molecular shape. Interaction is only indirectly related to compound hydrophobicity. For a selection of tricyclic antidepressants and tricyclic phenothiazines the detection limit in water is related to their therapeutic normal threshold. The sensing assay has been tested in the presence of humic acid as a potential interferent and in a tap water matrix. The system can be applied to the screening of putative hazardous substances and pharmaceuticals allowing for early detection thereof in the water supply. The measurements are made in real time which means that potentially toxic compounds are detected rapidly within <10 min per assay. This technology will contribute greatly to environment safety and health.

Electrochemical screening of biomembrane-active compounds in water

International Nuclear Information System (INIS)

Mohamadi, Shahrzad; Tate, Daniel J.; Vakurov, Alexander; Nelson, Andrew

2014-01-01

Graphical abstract: - Highlights: • Analytical technology application with improvement allowing for on-line high-throughput water toxin screening is presented. • Compound classes of related structure and shape interact with DOPC coated Pt/Hg with a class specific response. • Predecessor membrane system proved as fragile, complex and for environmental application incompatible. - Abstract: Interactions of biomembrane-active compounds with phospholipid monolayers on microfabricated Pt/Hg electrodes in an on-line high throughput flow system are demonstrated by recording capacitance current peak changes as rapid cyclic voltammograms (RCV). Detection limits of the compounds’ effects on the layer have been estimated from the data. Compounds studied include steroids, polycyclic aromatic hydrocarbons, tricyclic antidepressants and tricyclic phenothiazines. The results show that the extent and type of interaction depends on the—(a) presence and number of aromatic rings and substituents, (b) presence and composition of side chains and, (c) molecular shape. Interaction is only indirectly related to compound hydrophobicity. For a selection of tricyclic antidepressants and tricyclic phenothiazines the detection limit in water is related to their therapeutic normal threshold. The sensing assay has been tested in the presence of humic acid as a potential interferent and in a tap water matrix. The system can be applied to the screening of putative hazardous substances and pharmaceuticals allowing for early detection thereof in the water supply. The measurements are made in real time which means that potentially toxic compounds are detected rapidly within <10 min per assay. This technology will contribute greatly to environment safety and health

Antimalarial activity of compounds comprising a primary benzene sulfonamide fragment.

Science.gov (United States)

Andrews, Katherine T; Fisher, Gillian M; Sumanadasa, Subathdrage D M; Skinner-Adams, Tina; Moeker, Janina; Lopez, Marie; Poulsen, Sally-Ann

2013-11-15

Despite the urgent need for effective antimalarial drugs with novel modes of action no new chemical class of antimalarial drug has been approved for use since 1996. To address this, we have used a rational approach to investigate compounds comprising the primary benzene sulfonamide fragment as a potential new antimalarial chemotype. We report the in vitro activity against Plasmodium falciparum drug sensitive (3D7) and resistant (Dd2) parasites for a panel of fourteen primary benzene sulfonamide compounds. Our findings provide a platform to support the further evaluation of primary benzene sulfonamides as a new antimalarial chemotype, including the identification of the target of these compounds in the parasite. Copyright © 2013 Elsevier Ltd. All rights reserved.

Biofilm inhibition activity of compounds isolated from two Eunicea species collected at the Caribbean Sea

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Yenny Martínez Díaz

Full Text Available Abstract Biofilm has a primary role in the pathogenesis of diseases and in the attachment of multicellular organisms to a fouled surface. Because of that, the control of bacterial biofilms has been identified as an important target. In the present study, five lipid compounds isolated from soft coral Eunicea sp. and three terpenoids together with a mixture of sterols from Eunicea fusca collected at the Colombian Caribbean Sea showed different effectiveness against biofilm formation by three marine bacteria associated with immersed fouled surfaces, Ochrobactrum pseudogringnonense,Alteromona macleodii and Vibrio harveyi, and against two known biofilm forming bacteria, Pseudomonas aeruginosa ATCC 27853 and Staphylococcus aureus ATCC 25923. The pure compounds were characterized by NMR, HRESI-MS, HRGC-MS and optical rotation. The most effective compounds were batyl alcohol (1 and fuscoside E peracetate (6, acting against four strains without affecting their microbial growth. Compound 1 showed biofilm inhibition greater than 30% against A. macleodii, and up to 60% against O. pseudogringnonense,V. harveyi and S. aureus. Compound 6 inhibited O. pseudogringnonense and V. harveyi between 25 and 50%, and P. aeruginosa or S. aureus up to 60% at 0.5 mg/ml. The results suggest that these compounds exhibit specific biofilm inhibition with lower antimicrobial effect against the bacterial species assayed.

Bioactive Compounds and Antioxidant Activity in Different Grafted Varieties of Bell Pepper

Directory of Open Access Journals (Sweden)

Celia Chávez-Mendoza

2015-06-01

Full Text Available Grafting favors the presence of bioactive compounds in the bell pepper, but many species and varieties have not yet been analyzed in this sense, including commonly grafted varieties. The aim of the present study is to characterize the content in β-carotenes, vitamin C, lycopene, total phenols, and the antioxidant activity of bell pepper (Capsicum annum L. using the cultivar/rootstock combinations: Jeanette/Terrano (yellow, Sweet/Robusto (green, Fascinato/Robusto (red, Orangela/Terrano (orange, and Fascinato/Terrano (red. The plants were grown in a net-shading system and harvested on three sampling dates of the same crop cycle. The results show statistical differences (p ≤ 0.05 between cultivar/rootstock combinations and sampling dates for the content in bioactive compounds and antioxidant activity. Fascinato/Robusto presented the highest concentration of lycopene and total phenols as well as the greatest antioxidant activity of all cultivar/rootstock combinations evaluated. In addition, it was found that the best sampling time for the peppers to have the highest concentrations of bioactive compounds and antioxidant activity was September.

Gas pressure of extractive system from the high power ion source and effect of compound materials on the optical characteristics of ion

International Nuclear Information System (INIS)

Pan Zudong; Chen Miaosun; Wang Shouhu; Chen Xingqin; Ge Yisan; Fu Peng

1991-01-01

The mechanism of extractive beam from the ion source and the ion optical condition of a minimal divergence angle were introduced briefly. Two problems in researching 15 cm Duo Penning Ion Source (extractive voltage-25 kV, current-20 A) are expounded: (1) The pulse admission way makes the extractive system keeping optimum vacuum; (2) The insulating rings are made of a compound material, therefore, insulating characteristic is improved. Both the described points (1) and (2) will make a contribution to the ion optics

Enzyme activity assays within microstructured optical fibers enabled by automated alignment.

Science.gov (United States)

Warren-Smith, Stephen C; Nie, Guiying; Schartner, Erik P; Salamonsen, Lois A; Monro, Tanya M

2012-12-01

A fluorescence-based enzyme activity assay has been demonstrated within a small-core microstructured optical fiber (MOF) for the first time. To achieve this, a reflection-based automated alignment system has been developed, which uses feedback and piezoelectric actuators to maintain optical alignment. The auto-alignment system provides optical stability for the time required to perform an activity assay. The chosen assay is based on the enzyme proprotein convertase 5/6 (PC6) and has important applications in women's health.

Active polarization imaging system based on optical heterodyne balanced receiver

Science.gov (United States)

Xu, Qian; Sun, Jianfeng; Lu, Zhiyong; Zhou, Yu; Luan, Zhu; Hou, Peipei; Liu, liren

2017-08-01

Active polarization imaging technology has recently become the hot research field all over the world, which has great potential application value in the military and civil area. By introducing active light source, the Mueller matrix of the target can be calculated according to the incident light and the emitted or reflected light. Compared with conventional direct detection technology, optical heterodyne detection technology have higher receiving sensitivities, which can obtain the whole amplitude, frequency and phase information of the signal light. In this paper, an active polarization imaging system will be designed. Based on optical heterodyne balanced receiver, the system can acquire the horizontal and vertical polarization of reflected optical field simultaneously, which contain the polarization characteristic of the target. Besides, signal to noise ratio and imaging distance can be greatly improved.

Novel silica surface charge density mediated control of the optical properties of embedded optically active materials and its application for fiber optic pH sensing at elevated temperatures.

Science.gov (United States)

Wang, Congjun; Ohodnicki, Paul R; Su, Xin; Keller, Murphy; Brown, Thomas D; Baltrus, John P

2015-02-14

Silica and silica incorporated nanocomposite materials have been extensively studied for a wide range of applications. Here we demonstrate an intriguing optical effect of silica that, depending on the solution pH, amplifies or attenuates the optical absorption of a variety of embedded optically active materials with very distinct properties, such as plasmonic Au nanoparticles, non-plasmonic Pt nanoparticles, and the organic dye rhodamine B (not a pH indicator), coated on an optical fiber. Interestingly, the observed optical response to varying pH appears to follow the surface charge density of the silica matrix for all the three different optically active materials. To the best of our knowledge, this optical effect has not been previously reported and it appears universal in that it is likely that any optically active material can be incorporated into the silica matrix to respond to solution pH or surface charge density variations. A direct application of this effect is for optical pH sensing which has very attractive features that can enable minimally invasive, remote, real time and continuous distributed pH monitoring. Particularly, as demonstrated here, using highly stable metal nanoparticles embedded in an inorganic silica matrix can significantly improve the capability of pH sensing in extremely harsh environments which is of increasing importance for applications in unconventional oil and gas resource recovery, carbon sequestration, water quality monitoring, etc. Our approach opens a pathway towards possible future development of robust optical pH sensors for the most demanding environmental conditions. The newly discovered optical effect of silica also offers the potential for control of the optical properties of optically active materials for a range of other potential applications such as electrochromic devices.

NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database.

Science.gov (United States)

Mangal, Manu; Sagar, Parul; Singh, Harinder; Raghava, Gajendra P S; Agarwal, Subhash M

2013-01-01

Plant-derived molecules have been highly valued by biomedical researchers and pharmaceutical companies for developing drugs, as they are thought to be optimized during evolution. Therefore, we have collected and compiled a central resource Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database (NPACT, http://crdd.osdd.net/raghava/npact/) that gathers the information related to experimentally validated plant-derived natural compounds exhibiting anti-cancerous activity (in vitro and in vivo), to complement the other databases. It currently contains 1574 compound entries, and each record provides information on their structure, manually curated published data on in vitro and in vivo experiments along with reference for users referral, inhibitory values (IC(50)/ED(50)/EC(50)/GI(50)), properties (physical, elemental and topological), cancer types, cell lines, protein targets, commercial suppliers and drug likeness of compounds. NPACT can easily be browsed or queried using various options, and an online similarity tool has also been made available. Further, to facilitate retrieval of existing data, each record is hyperlinked to similar databases like SuperNatural, Herbal Ingredients' Targets, Comparative Toxicogenomics Database, PubChem and NCI-60 GI(50) data.

NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

Science.gov (United States)

Mangal, Manu; Sagar, Parul; Singh, Harinder; Raghava, Gajendra P. S.; Agarwal, Subhash M.

2013-01-01

Plant-derived molecules have been highly valued by biomedical researchers and pharmaceutical companies for developing drugs, as they are thought to be optimized during evolution. Therefore, we have collected and compiled a central resource Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database (NPACT, http://crdd.osdd.net/raghava/npact/) that gathers the information related to experimentally validated plant-derived natural compounds exhibiting anti-cancerous activity (in vitro and in vivo), to complement the other databases. It currently contains 1574 compound entries, and each record provides information on their structure, manually curated published data on in vitro and in vivo experiments along with reference for users referral, inhibitory values (IC50/ED50/EC50/GI50), properties (physical, elemental and topological), cancer types, cell lines, protein targets, commercial suppliers and drug likeness of compounds. NPACT can easily be browsed or queried using various options, and an online similarity tool has also been made available. Further, to facilitate retrieval of existing data, each record is hyperlinked to similar databases like SuperNatural, Herbal Ingredients’ Targets, Comparative Toxicogenomics Database, PubChem and NCI-60 GI50 data. PMID:23203877

Active optical cable for intrasatellite communications

Science.gov (United States)

Blasco, J.; Cano, D.; Navasquillo, O.; Esteban, M. A.

2017-11-01

DAS Photonics and Airbus Defence and Space (Spain) have been working for more than six years in the concept of an Active Optical Cable (AOC) for copper cable substitution. The main advantages that AOC offers are significant mass and size saving, better flexibility and routing of the cable and immunity to EMI.

Influence of organic nitro-compounds and of surface active compounds on the inverse voltametric determination of cadmium, lead and copper

Energy Technology Data Exchange (ETDEWEB)

Wahdat, F; Neeb, R

1983-12-01

The influence of surface active agents and of organic nitro-compounds alone and in combination on the potentiometric stripping analysis and anodic-stripping differential-pulse-polarography of Cd, Pb and Cu is investigated. In some cases PSA offers advantages for the determination of these elements in the presence of organic nitro-compounds in comparison with differential pulse-polarography.

Synergistic anti-Campylobacter jejuni activity of fluoroquinolone and macrolide antibiotics with phenolic compounds

Science.gov (United States)

Oh, Euna; Jeon, Byeonghwa

2015-01-01

The increasing resistance of Campylobacter to clinically important antibiotics, such as fluoroquinolones and macrolides, is a serious public health problem. The objective of this study is to investigate synergistic anti-Campylobacter jejuni activity of fluoroquinolones and macrolides in combination with phenolic compounds. Synergistic antimicrobial activity was measured by performing a checkerboard assay with ciprofloxacin and erythromycin in the presence of 21 phenolic compounds. Membrane permeability changes in C. jejuni by phenolic compounds were determined by measuring the level of intracellular uptake of 1-N-phenylnaphthylamine (NPN). Antibiotic accumulation assays were performed to evaluate the level of ciprofloxacin accumulation in C. jejuni. Six phenolic compounds, including p-coumaric acid, sinapic acid, caffeic acid, vanillic acid, gallic acid, and taxifolin, significantly increased the susceptibility to ciprofloxacin and erythromycin in several human and poultry isolates. The synergistic antimicrobial effect was also observed in ciprofloxacin- and erythromycin-resistant C. jejuni strains. The phenolic compounds also substantially increased membrane permeability and antibiotic accumulation in C. jejuni. Interestingly, some phenolic compounds, such as gallic acid and taxifolin, significantly reduced the expression of the CmeABC multidrug efflux pump. Phenolic compounds increased the NPN accumulation in the cmeB mutant, indicating phenolic compounds may affect the membrane permeability. In this study, we successfully demonstrated that combinational treatment of C. jejuni with antibiotics and phenolic compounds synergistically inhibits C. jejuni by impacting both antimicrobial influx and efflux. PMID:26528273

Evaluation of Biologically Active Compounds from Calendula officinalis Flowers using Spectrophotometry

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Butnariu Monica

2012-04-01

Full Text Available Abstract Background This study aimed to quantify the active biological compounds in C. officinalis flowers. Based on the active principles and biological properties of marigolds flowers reported in the literature, we sought to obtain and characterize the molecular composition of extracts prepared using different solvents. The antioxidant capacities of extracts were assessed by using spectrophotometry to measure both absorbance of the colorimetric free radical scavenger 2,2-diphenyl-1-picrylhydrazyl (DPPH as well as the total antioxidant potential, using the ferric reducing power (FRAP assay. Results Spectrophotometric assays in the ultraviolet-visible (UV-VIS region enabled identification and characterization of the full range of phenolic and flavonoids acids, and high-performance liquid chromatography (HPLC was used to identify and quantify phenolic compounds (depending on the method of extraction. Methanol ensured more efficient extraction of flavonoids than the other solvents tested. Antioxidant activity in methanolic extracts was correlated with the polyphenol content. Conclusions The UV-VIS spectra of assimilator pigments (e.g. chlorophylls, polyphenols and flavonoids extracted from the C. officinalis flowers consisted in quantitative evaluation of compounds which absorb to wavelengths broader than 360 nm.

Pulse seed germination improves antioxidative activity of phenolic compounds in stripped soybean oil-in-water emulsions.

Science.gov (United States)

Xu, Minwei; Jin, Zhao; Peckrul, Allen; Chen, Bingcan

2018-06-01

The purpose of this study was to investigate antioxidative activity of phenolic compounds extracted from germinated pulse seed including chickpeas, lentils and yellow peas. Phenolic compounds were extracted at different germination time and total phenolic content was examined by Folin Ciocalteu's reaction. Antioxidative activity of extracts was characterized by in vitro assay including 2, 2-diphenyl-1-picrylhydrazyl radical scavenging capacity (DPPH), oxygen radical absorbance capacity (ORAC), iron-binding assay, and in stripped soybean oil-in-water emulsions. The results suggested that germination time is critical for phenolic compounds production. The form variation of phenolic compounds influenced the antioxidative activity of phenolic compounds both in vitro assay and in emulsion systems. Soluble bound phenolic compounds showed higher antioxidative ability in emulsion system with the order of chickpea > yellow pea > lentil. On the basis of these results, soluble bound phenolic compounds may be considered as a promising natural antioxidant to prevent lipid oxidation in foods. Copyright © 2018 Elsevier Ltd. All rights reserved.

Phytochemical Analysis, Identification and Quantification of Antibacterial Active Compounds in Betel Leaves, Piper betle Methanolic Extract.

Science.gov (United States)

Syahidah, A; Saad, C R; Hassan, M D; Rukayadi, Y; Norazian, M H; Kamarudin, M S

2017-01-01

The problems of bacterial diseases in aquaculture are primarily controlled by antibiotics. Medicinal plants and herbs which are seemed to be candidates of replacements for conventional antibiotics have therefore gained increasing interest. Current study was performed to investigate the presence of phytochemical constituents, antibacterial activities and composition of antibacterial active compounds in methanolic extract of local herb, Piper betle . Qualitative phytochemical analysis was firstly carried out to determine the possible active compounds in P. betle leaves methanolic extract. The antibacterial activities of major compounds from this extract against nine fish pathogenic bacteria were then assessed using TLC-bioautography agar overlay assay and their quantity were determined simultaneously by HPLC method. The use of methanol has proved to be successful in extracting numerous bioactive compounds including antibacterial compounds. The TLC-bioautography assay revealed the inhibitory action of two compounds which were identified as hydroxychavicol and eugenol. The $-caryophyllene however was totally inactive against all the tested bacterial species. In this study, the concentration of hydroxychavicol in extract was found to be 374.72±2.79 mg g-1, while eugenol was 49.67±0.16 mg g-1. Based on these findings, it could be concluded that hydroxychavicol and eugenol were the responsible compounds for the promising antibacterial activity of P. betle leaves methanolic extract. This inhibitory action has significantly correlated with the amount of the compounds in extract. Due to its potential, the extract of P. betle leaves or it compounds can be alternative source of potent natural antibacterial agents for aquaculture disease management.

Texas Native Plants Yield Compounds with Cytotoxic Activities against Prostate Cancer Cells.

Science.gov (United States)

Shaffer, Corena V; Cai, Shengxin; Peng, Jiangnan; Robles, Andrew J; Hartley, Rachel M; Powell, Douglas R; Du, Lin; Cichewicz, Robert H; Mooberry, Susan L

2016-03-25

There remains a critical need for more effective therapies for the treatment of late-stage and metastatic prostate cancers. Three Texas native plants yielded three new and three known compounds with antiproliferative and cytotoxic activities against prostate cancer cells with IC50 values in the range of 1.7-35.0 μM. A new sesquiterpene named espadalide (1), isolated from Gochnatia hypoleuca, had low micromolar potency and was highly effective in clonogenic assays. Two known bioactive germacranolides (2 and 3) were additionally isolated from G. hypoleuca. Dalea frutescens yielded two new isoprenylated chalcones, named sanjuanolide (4) and sanjoseolide (5), and the known sesquiterpenediol verbesindiol (6) was isolated from Verbesina virginica. Mechanistic studies showed that 1-4 caused G2/M accumulation and the formation of abnormal mitotic spindles. Tubulin polymerization assays revealed that 4 increased the initial rate of tubulin polymerization, but did not change total tubulin polymer levels, and 1-3 had no effects on tubulin polymerization. Despite its cytotoxic activity, compound 6 did not initiate changes in cell cycle distribution and has a mechanism of action different from the other compounds. This study demonstrates that new compounds with significant biological activities germane to unmet oncological needs can be isolated from Texas native plants.

Optically active Babinet planar metamaterial film for terahertz polarization manipulation

DEFF Research Database (Denmark)

Zalkovskij, Maksim; Malureanu, Radu; Kremers, C.

2013-01-01

A planar Babinet-inverted dimer metamaterial possessing strong optical activity is proposed and characterized. An original fabrication method to produce large area (up to several cm2) freely suspended flexible metallic membranes is implemented to fabricate the metamaterial. Its optical properties...

Analysis of Indonesian Spice Essential Oil Compounds That Inhibit Locomotor Activity in Mice

Science.gov (United States)

Muchtaridi; Diantini, Adjeng; Subarnas, Anas

2011-01-01

Some fragrance components of spices used for cooking are known to have an effect on human behavior. The aim of this investigation was to examine the effect of the essential oils of basil (Ocimum formacitratum L.) leaves, lemongrass (Cymbopogon citrates L.) herbs, ki lemo (Litsea cubeba L.) bark, and laja gowah (Alpinia malaccencis Roxb.) rhizomes on locomotor activity in mice and identify the active component(s) that might be responsible for the activity. The effect of the essential oils was studied by a wheel cage method and the active compounds of the essential oils were identified by GC/MS analysis. The essential oils were administered by inhalation at doses of 0.1, 0.3, and 0.5 mL/cage. The results showed that the four essential oils had inhibitory effects on locomotor activity in mice. Inhalation of the essential oils of basil leaves, lemongrass herbs, ki lemo bark, and laja gowah rhizomes showed the highest inhibitory activity at doses of 0.5 (57.64%), 0.1 (55.72%), 0.5 (60.75%), and 0.1 mL/cage (47.09%), respectively. The major volatile compounds 1,8-cineole, α-terpineol, 4-terpineol, citronelol, citronelal, and methyl cinnamate were identified in blood plasma of mice after inhalation of the four oils. These compounds had a significant inhibitory effect on locomotion after inhalation. The volatile compounds of essential oils identified in the blood plasma may correlate with the locomotor-inhibiting properties of the oil when administered by inhalation.

Cytotoxicity, antimicrobial and antioxidant activity of eight compounds isolated from Entada abyssinica (Fabaceae).

Science.gov (United States)

Dzoyem, Jean P; Melong, Raduis; Tsamo, Armelle T; Tchinda, Alembert T; Kapche, Deccaux G W F; Ngadjui, Bonaventure T; McGaw, Lyndy J; Eloff, Jacobus N

2017-03-06

Entada abyssinica is a plant traditionally used against gastrointestinal bacterial infections. Eight compounds including three flavonoids, three terpenoids, a monoglyceride and a phenolic compound isolated from E. abyssinica were investigated for their cytotoxicity, antibacterial and antioxidant activity. Compounds 7 and 2 had remarkable activity against Salmonella typhimurium with the lowest respective minimum inhibitory concentration (MIC) values of 1.56 and 3.12 µg/mL. The antioxidant assay gave IC 50 values varied from 0.48 to 2.87 μg/mL in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, from 2.53 to 17.04 μg/mL in the 2,2'-Azino-bis (3-ethylbenzothiazoline-6-sulphonic acid) diammonium salt (ABTS) assay and from 1.43 to 103.98 µg/mL in the FRAP assay. Compounds had relatively low cytotoxicity (LC 50 values ranging from 22.42 to 80.55 µg/mL) towards Vero cells. Ursolic acid had the most potent cytotoxicity against THP-1 and RAW 264.7 cells with LC 50 values of 9.62 and 4.56 μg/mL respectively, and selectivity index values of 7.32 and 15.44 respectively. Our findings suggest that among the terpenoid and flavonoid compounds studied, entadanin (compound 7) possess tremendous antibacterial activity against S. typhimurium and could be developed for the treatment of bacterial diseases.

Inhibitory effect of Sphagnum palustre extract and its bioactive compounds on aromatase activity

Directory of Open Access Journals (Sweden)

Hee Jeong Eom

2016-09-01

Full Text Available Sphagnum palustre (a moss has been traditionally used in Korea for the cure of several diseases such as cardiac pain and stroke. In this research, the inhibitory effect of S. palustre on aromatase (cytochrome P450 19, CYP19 activity was studied. [1β-3H] androstenedione was used as a substrate and incubated with S. palustre extract and recombinant human CYP19 in the presence of NADPH. S. palustre extract inhibited aromatase in a concentration-dependent manner (IC50 value: 36.4 ± 8.1 µg/mL. To elucidate the major compounds responsible for the aromatase inhibitory effects of S. palustre extract, nine compounds were isolated from the extract and tested for their inhibition of aromatase activity. Compounds 1, 6, and 7 displayed aromatase inhibition, while the inhibition by the other compounds was negligible.

Four new compounds isolated from Psoralea corylifolia and their diacylglycerol acyltransferase (DGAT) inhibitory activity.

Science.gov (United States)

Lin, Xin; Li, Ban-Ban; Zhang, Le; Li, Hao-Ze; Meng, Xiao; Jiang, Yi-Yu; Lee, Hyun-Sun; Cui, Long

2018-05-14

A new bakuchiol compound Δ 11 -12-hydroxy-12-dimethyl bakuchiol (1), a new flavanone compound 2(S)-6-methoxy-7- hydroxymethylene-4'-hydroxyl-flavanone (8), and two new isoflavanone compounds 4',7-dihydroxy-3'-(6"β-hydroxy-3″,7″-dimethyl-,2″,7″-dibutenyl)-geranylisoflavone (9) and 4',7-dihydroxy-3'-(7″-hydroxy-7″-methyl-2″,5″-dibutenyl)-geranylisoflavone (10) together with eight known compounds (2-7, 11, 12) were isolated from the P. corylifolia. Their structures were elucidated on the basis of spectroscopic and physico-chemical analyses. All the isolates were evaluated for in vitro inhibitory activity against DGAT1/2. Among them, compounds 3, 9 and 10 were found to exhibit selective inhibitory activity on DGAT1 with IC 50 values ranging from 93.7 ± 1.3 to 96.2 ± 1.1 μM. Compound 1 showed inhibition activity on DGAT1 with IC 50 values 73.4 ± 1.3 μM and inhibition of DGAT2 with IC 50 value 121.1 ± 1.3 μM. Copyright © 2018 Elsevier B.V. All rights reserved.

Optical spectra of vanadium (5, 4) compounds during extraction by di-2-ethylhexylphosphoric acid

International Nuclear Information System (INIS)

Kurbatova, L.D.; Medvedeva, N.I.

2000-01-01

Optical spectra of vanadium (5, 4) complexes with HDEHP are studied using literature data on quantum-chemical calculations of vanadium (5) and vanadium (4) oxides. Extraction of vanadium is conducted by undiluted HDEHP from sulfuric acid solutions. Absorption electron spectra (AES) of vanadium (5), vanadium (4) and vanadium (5, 4) compounds are presented. In AES of vanadium (5, 4) four absorption bands at 24000, 17000, 14500 and 13500 cm -1 appear. Comparison with spectra of vanadium (5) and vanadium (4) shows that band 17000 cm -1 which appears only during mutual extraction of vanadium (5) and vanadium (4) is caused by transitions appearing between filled and empty levels of d-zone broadened by vanadium (5) and vanadium (4) interaction [ru

Phenolic compounds from the leaf extract of artichoke (Cynara scolymus L.) and their antimicrobial activities.

Science.gov (United States)

Zhu, Xianfeng; Zhang, Hongxun; Lo, Raymond

2004-12-01

A preliminary antimicrobial disk assay of chloroform, ethyl acetate, and n-butanol extracts of artichoke (Cynara scolymus L.) leaf extracts showed that the n-butanol fraction exhibited the most significant antimicrobial activities against seven bacteria species, four yeasts, and four molds. Eight phenolic compounds were isolated from the n-butanol soluble fraction of artichoke leaf extracts. On the basis of high-performance liquid chromatography/electrospray ionization mass spectrometry, tandem mass spectrometry, and nuclear magnetic resonance techniques, the structures of the isolated compounds were determined as the four caffeoylquinic acid derivatives, chlorogenic acid (1), cynarin (2), 3,5-di-O-caffeoylquinic acid (3), and 4,5-di-O-caffeoylquinic acid (4), and the four flavonoids, luteolin-7-rutinoside (5), cynaroside (6), apigenin-7-rutinoside (7), and apigenin-7-O-beta-D-glucopyranoside (8), respectively. The isolated compounds were examined for their antimicrobial activities on the above microorganisms, indicating that all eight phenolic compounds showed activity against most of the tested organisms. Among them, chlorogenic acid, cynarin, luteolin-7-rutinoside, and cynaroside exhibited a relatively higher activity than other compounds; in addition, they were more effective against fungi than bacteria. The minimum inhibitory concentrations of these compounds were between 50 and 200 microg/mL.

Active Learning Strategies for Introductory Light and Optics

Science.gov (United States)

Sokoloff, David R.

2016-01-01

There is considerable evidence that traditional approaches are ineffective in teaching physics concepts, including light and optics concepts. A major focus of the work of the Activity Based Physics Group has been on the development of active learning curricula like RealTime Physics (RTP) labs and Interactive Lecture Demonstrations (ILDs). Among…

Pattern optimization of compound optical film for uniformity improvement in liquid-crystal displays

Science.gov (United States)

Huang, Bing-Le; Lin, Jin-tang; Ye, Yun; Xu, Sheng; Chen, En-guo; Guo, Tai-Liang

2017-12-01

The density dynamic adjustment algorithm (DDAA) is designed to efficiently promote the uniformity of the integrated backlight module (IBLM) by adjusting the microstructures' distribution on the compound optical film (COF), in which the COF is constructed in the SolidWorks and simulated in the TracePro. In order to demonstrate the universality of the proposed algorithm, the initial distribution is allocated by the Bezier curve instead of an empirical value. Simulation results maintains that the uniformity of the IBLM reaches over 90% only after four rounds. Moreover, the vertical and horizontal full width at half maximum of angular intensity are collimated to 24 deg and 14 deg, respectively. Compared with the current industry requirement, the IBLM has an 85% higher luminance uniformity of the emerging light, which demonstrate the feasibility and universality of the proposed algorithm.

Chiral ligand-protected gold nanoclusters: Considering the optical activity from a viewpoint of ligand dissymmetric field

Directory of Open Access Journals (Sweden)

Hiroshi Yao

2016-10-01

Full Text Available Chirality is a geometric property of a physical, chemical, or biological object, which is not superimposable on its mirror image. Its significant presence has led to a strong demand in the development of chiral drugs, sensors, catalysts, and photofunctional materials. In recent years, chirality of nanoscale organic/inorganic hybrids has received tremendous attention owing to potential applications in chiral nanotechnology. In particular, with the recent progress in the syntheses and characterizations of atomically precise gold nanoclusters protected by achiral thiolates, atomic level origins of their chirality have been unveiled. On the other hand, chirality or optical activity in metal nanoclusters can also be introduced via the surface chiral ligands, which should be universal for the nanosystems. This tutorial review presents some optically-active metal (gold nanoclusters protected by chiral thiolates or phosphines, and their chiroptical (or circular dichroism; CD properties are discussed mostly from a viewpoint of the ligand dissymmetric field scheme. The examples are the gold nanoclusters protected by (R-/(S-2-phenylpropane-1-thiol, (R-/(S-mercaptosuccinic acid, phenylboronate-D/L-fructose complexes, phosphine sulfonate-ephedrinium ion pairs, or glutathione. Some methodologies for versatile asymmetric transformation and chiroptical controls of the nanocluster compounds are also described. In the dissymmetric field model as the origin of optical activity, the chiroptical responses of the gold nanoclusters are strongly associated with coupled oscillator and/or CD stealing mechanisms based on the concept of induced CD (ICD derived from a perturbation theory, so on this basis, some characteristic features of the observed CD responses of chiral ligand-protected gold nanoclusters are presented in detail. We believe that various kinds of origins of chirality found in ligand-protected gold nanoclusters may provide models for understanding those of

Natural compounds' activity against cancer stem-like or fast-cycling melanoma cells.

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Malgorzata Sztiller-Sikorska

Full Text Available BACKGROUND: Accumulating evidence supports the concept that melanoma is highly heterogeneous and sustained by a small subpopulation of melanoma stem-like cells. Those cells are considered as responsible for tumor resistance to therapies. Moreover, melanoma cells are characterized by their high phenotypic plasticity. Consequently, both melanoma stem-like cells and their more differentiated progeny must be eradicated to achieve durable cure. By reevaluating compounds in heterogeneous melanoma populations, it might be possible to select compounds with activity not only against fast-cycling cells but also against cancer stem-like cells. Natural compounds were the focus of the present study. METHODS: We analyzed 120 compounds from The Natural Products Set II to identify compounds active against melanoma populations grown in an anchorage-independent manner and enriched with cells exerting self-renewing capacity. Cell viability, cell cycle arrest, apoptosis, gene expression, clonogenic survival and label-retention were analyzed. FINDINGS: Several compounds efficiently eradicated cells with clonogenic capacity and nanaomycin A, streptonigrin and toyocamycin were effective at 0.1 µM. Other anti-clonogenic but not highly cytotoxic compounds such as bryostatin 1, siomycin A, illudin M, michellamine B and pentoxifylline markedly reduced the frequency of ABCB5 (ATP-binding cassette, sub-family B, member 5-positive cells. On the contrary, treatment with maytansine and colchicine selected for cells expressing this transporter. Maytansine, streptonigrin, toyocamycin and colchicine, even if highly cytotoxic, left a small subpopulation of slow-dividing cells unaffected. Compounds selected in the present study differentially altered the expression of melanocyte/melanoma specific microphthalmia-associated transcription factor (MITF and proto-oncogene c-MYC. CONCLUSION: Selected anti-clonogenic compounds might be further investigated as potential adjuvants

Active Micro structured Optical Arrays of Grazing Incidence Reflectors

International Nuclear Information System (INIS)

Willingale, R.; Feldman, Ch.; Michette, A.; Hart, D.; McFaul, Ch; Morrison, G.R.; Pfauntsch, S.; Powell, A.K.; Sahraei, Sh.; Shand, M.T.; Button, T.; Rodriguez-Sanmartin, D.; Zhang, D.; Dunare, C.; Parkes, W.; Stevenson, T.; Folkard, M.; Vojnovic, B.; Vojnovic, B.

2011-01-01

The UK Smart X-Ray Optics (SXO) programme is developing active/adaptive optics for terrestrial applications. One of the technologies proposed is micro structured optical arrays (MOAs), which focus X-rays using grazing incidence reflection through consecutive aligned arrays of microscopic channels. Although such arrays are similar in concept to poly capillary and microchannel plate optics, they can be bent and adjusted using piezoelectric actuators providing control over the focusing and inherent aberrations. Custom configurations can be designed, using ray tracing and finite element analysis, for applications from sub-keV to several-keV X-rays, and the channels of appropriate aspect ratios can be made using deep silicon etching. An exemplar application will be in the micro probing of biological cells and tissue samples using Ti Ka radiation (4.5?keV) in studies related to radiation-induced cancers. This paper discusses the optical design, modelling, and manufacture of such optics

Cytotoxic and Antimigratory Activities of Phenolic Compounds from Dendrobium brymerianum

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Pornprom Klongkumnuankarn

2015-01-01

Full Text Available Chromatographic separation of a methanol extract prepared from the whole plant of Dendrobium brymerianum led to the isolation of eight phenolic compounds. Among the isolated compounds (1–8, moscatilin (1, gigantol (3, lusianthridin (4, and dendroflorin (6 showed appreciable cytotoxicity against human lung cancer cell lines with IC50 values of 196.7, 23.4, 65.0, and 125.8 μg/mL, respectively, and exhibited antimigratory property at nontoxic concentrations. This study is the first report on the biological activities of this plant.

An in vitro comparative study of the antioxidant activity and SIRT1 modulation of natural compounds.

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Fusi, Jonathan; Bianchi, Sara; Daniele, Simona; Pellegrini, Silvia; Martini, Claudia; Galetta, Fabio; Giovannini, Luca; Franzoni, Ferdinando

2018-05-01

Oxidative stress arises from an imbalance between the production of free radicals and antioxidant defences. Several studies have suggested that dietary antioxidants (such as polyphenols and berberine) may counteract oxidative stress through the involvement of the Sirtuin 1/Adenosine Monophosphate-Activated Protein Kinase (SIRT1/AMPK) pathway. The aim of this study was to evaluate the direct and specific antioxidant activity of some natural compounds, as well as their ability to modulate the expression of SIRT1 and the activation of AMPK. Quercetin, tyrosol, ferulic acid, catechin, berberine and curcumin were evaluated for their specific and direct antioxidant activity with TOSC assay. Their ability to modulate SIRT1 and AMPK was assessed by immunoblotting assay, while their cytotoxicity by CellTiter-Blue Cell Viability Assay. No statistically significant decrease (p > 0.05) in the number of viable cells was found upon challenging with the natural compounds. Quercetin exhibited the highest antioxidant activity against peroxyl radical and peroxinitrate derivates, while curcumin showed the best anti-hydroxyl activity with respect to the other compounds and, most importantly, respect to the reference antioxidants. Finally, all the tested compounds significantly increased the SIRT1 expression and the activation of AMPK. Our results clearly disclose the specific antioxidant activity of these natural compounds and their ability to increase SIRT1 expression and AMPK activation. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Synthesis and biological activity of sulfur compounds showing structural analogy with combretastatin A-4

Energy Technology Data Exchange (ETDEWEB)

Santos, Edson dos A. dos; Prado, Paulo C.; Carvalho, Wanderley R. de; Lima, Ricardo V. de; Beatriz, Adilson; Lima, Denis P. de, E-mail: denis.lima@ufms.br [Universidade Federal de Mato Grosso do Sul (UFMS), Campo Grande, MS (Brazil). Departamento de Quimica; Hamel, Ernest [Screening Technologies Branch, Developmental Therapeutics Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute at Frederick, National Institutes of Health, Frederick, MD (United States); Dyba, Marzena A. [Basic Science Program , SAIC-Frederick, Inc., Structural Biophysics Laboratory National Cancer Institute, Frederick, MD (United States); Albuquerque, Sergio [Universidade de Sao Paulo (USP), Ribeirao Preto, SP (Brazil). Faculdade de Ciencias Farmaceuticas

2013-09-01

We extended our previous exploration of sulfur bridges as bioisosteric replacements for atoms forming the bridge between the aromatic rings of combretastatin A-4. Employing coupling reactions between 5-iodo-1,2,3-trimethoxybenzene and substituted thiols, followed by oxidation to sulfones with m-CPBA, different locations for attaching the sulfur atom to ring A through the synthesis of nine compounds were examined. Antitubulin activity was performed with electrophoretically homogenous bovine brain tubulin, and activity occurred with the 1,2,3-trimethoxy-4-[(4-methoxyphenyl)thio]benzene (12), while the other compounds were inactive. The compounds were also tested for leishmanicidal activity using promastigote forms of Leishmania braziliensis (MHOM/BR175/M2904),and the greatest activity was observed with 1,2,3-trimethoxy-4-(phenylthio)benzene (10) and 1,2,3-trimethoxy-4-[(4-methoxyphenyl) sulfinyl]benzene (15). (author)

Design of integrated optics all-optical label swappers for spectral amplitude code label swapping optical packet networks on active/passive InP technology

NARCIS (Netherlands)

Habib, C.; Munoz, P.; Leijtens, X.J.M.; Chen, Lawrence; Smit, M.K.; Capmany, J.

2009-01-01

In this paper the designs of optical label swapper devices, for spectral amplitude coded labels, monolithically integrated on InP active/passive technology are pre sented. The devices are based on cross-gain modulation in a semiconductor optical amplifier. Multi-wavelength operation is enabled by

Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi

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Dongmei Yang

2016-11-01

Full Text Available Cinnamaldehyde, of the genius Cinnamomum, is a major constituent of the bark of the cinnamon tree and possesses broad-spectrum antimicrobial activity. In this study, we used best multiple linear regression (BMLR to develop quantitative structure activity relationship (QSAR models for cinnamaldehyde derivatives against wood-decaying fungi Trametes versicolor and Gloeophyllun trabeum. Based on the two optimal QSAR models, we then designed and synthesized two novel cinnamaldehyde compounds. The QSAR models exhibited good correlation coefficients: R2Tv = 0.910 for Trametes versicolor and R2Gt = 0.926 for Gloeophyllun trabeum. Small errors between the experimental and calculated values of two designed compounds indicated that these two QSAR models have strong predictability and stability.

Activation energies for iodine-exchange systems containing organic iodine compounds

Energy Technology Data Exchange (ETDEWEB)

Ikeda, N. (Takyo Univ. of Education (Japan). Faculty of Science) Takahashi, Yasuko

1976-01-01

In studies on the nonequilibrium isotopic exchange method for determining iodine in organic iodine compounds, activation energies have been measured to find systems having appropriate rate of exchange reactions. Activation energies are discussed by considering the effect of the structure of organic iodine compounds, the concentrations of reactants and solvent, etc. In homogeneous systems, activation energy is found to become larger in the order of CH/sub 3/Iactivation energy is less in 100% acetone than in 90% acetone solution. In heterogeneous systems, e.g. org. I(aq.)--I/sub 2/(CCL/sub 4/ or C/sub 2/H/sub 4/Cl/sub 2/), activation energy increases in the order of 3,5-diiodotyrosine<3-iodotyrosine<5-iodouracil. The catalytic effect of I/sub 2/ is large, and the iodine ratio between I/sub 2/ and organic iodine is a predominant factor in determining the rate of the exchange reaction.

Analysis of Indonesian Spice Essential Oil Compounds That Inhibit Locomotor Activity in Mice

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Anas Subarnas

2011-04-01

Full Text Available Some fragrance components of spices used for cooking are known to have an effect on human behavior. The aim of this investigation was to examine the effect of the essential oils of basil (Ocimum formacitratum L. leaves, lemongrass (Cymbopogon citrates L. herbs, ki lemo (Litsea cubeba L. bark, and laja gowah (Alpinia malaccencis Roxb. rhizomes on locomotor activity in mice and identify the active component(s that might be responsible for the activity. The effect of the essential oils was studied by a wheel cage method and the active compounds of the essential oils were identified by GC/MS analysis. The essential oils were administered by inhalation at doses of 0.1, 0.3, and 0.5 mL/cage. The results showed that the four essential oils had inhibitory effects on locomotor activity in mice. Inhalation of the essential oils of basil leaves, lemongrass herbs, ki lemo bark, and laja gowah rhizomes showed the highest inhibitory activity at doses of 0.5 (57.64%, 0.1 (55.72%, 0.5 (60.75%, and 0.1 mL/cage (47.09%, respectively. The major volatile compounds 1,8-cineole, α-terpineol, 4-terpineol, citronelol, citronelal, and methyl cinnamate were identified in blood plasma of mice after inhalation of the four oils. These compounds had a significant inhibitory effect on locomotion after inhalation. The volatile compounds of essential oils identified in the blood plasma may correlate with the locomotor-inhibiting properties of the oil when administered by inhalation.

Isolation and Identification of Active Compounds from Papaya Plants and Activities as Antimicrobial

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Prasetya, A. T.; Mursiti, S.; Maryan, S.; Jati, N. K.

2018-04-01

Extraction and isolation of papaya seeds and leaves (Carica papaya L) has been performed using n-hexane and ethanol solvents. Further isolation of the extract obtained using ethyl acetate and diethyl ether solvents. The result of the phytochemical test of papaya extract obtained by mixture of an active compound of flavonoids, alkaloids, tannins, steroids, and saponins. Ethyl acetate isolates containing only flavonoids and diethyl ether isolates contain only alkaloids. Extracts and isolates from papaya plants had gram-positive antibacterial activity greater than the gram-negative bacteria, but both did not have antifungal activity. Papaya extracts have greater antibacterial activity than flavonoid isolates and alkaloid isolates. Strong antibacterial inhibitory sequences are extracts of papaya plants, flavonoid isolates, and alkaloid isolates.

Molecular Descriptors Family on Structure Activity Relationships 2. Insecticidal Activity of Neonicotinoid Compounds

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Sorana BOLBOACĂ

2005-01-01

Full Text Available The neonicotinoids are the newest major class of insecticides modeled after the basic nicotine molecule having improved insecticide activity and generally low toxicity. The insecticidal activities of neonicotinoids were previous studied using 3D and standard partial least squares regression models. The paper describes the ability of the MDF SAR methodology in prediction of insecticidal activities of neonicotinoid compounds. The best MDF SAR bi-varied model was validated on training and test sets and its ability on prediction of insecticidal activity was compared with previous reported models. Even if the MDF SAR methodology is complex and time consuming the results worth the effort because they are statistical significant better then previous reported results.

Simple Method of Preparation and Characterization of New Antifungal Active Biginelli Type Heterocyclic Compounds

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Velan, A. Senthilkumara; Joseph, J.; Raman, N.

2008-01-01

A simple, efficient and cost effective method is described for the synthesis of Biginelli type heterocyclic compounds of dihydropyrimidinones analogous. They were prepared from a reaction mixture consisting of substituted benzaldehydes, thiourea and ethylacetoacetate using ammonium dihydrogenphosphate as catalyst. The procedure for the preparation of the compounds is environmentally benign and safe which is advantageous in terms of experimentation, catalyst reusability, yields of the products, shorter reaction times and preclusion of toxic solvents. The four new synthesised compounds were tested for their antifungal activity. They have good antifungal activity comparing to the standard (Fluconazole). PMID:23997611

Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.

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Vogt, Martin; Bajorath, Jürgen

2008-01-01

Bayesian classifiers are increasingly being used to distinguish active from inactive compounds and search large databases for novel active molecules. We introduce an approach to directly combine the contributions of property descriptors and molecular fingerprints in the search for active compounds that is based on a Bayesian framework. Conventionally, property descriptors and fingerprints are used as alternative features for virtual screening methods. Following the approach introduced here, probability distributions of descriptor values and fingerprint bit settings are calculated for active and database molecules and the divergence between the resulting combined distributions is determined as a measure of biological activity. In test calculations on a large number of compound activity classes, this methodology was found to consistently perform better than similarity searching using fingerprints and multiple reference compounds or Bayesian screening calculations using probability distributions calculated only from property descriptors. These findings demonstrate that there is considerable synergy between different types of property descriptors and fingerprints in recognizing diverse structure-activity relationships, at least in the context of Bayesian modeling.

Phenolic compounds from Glycyrrhiza pallidiflora Maxim. and their cytotoxic activity.

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Shults, Elvira E; Shakirov, Makhmut M; Pokrovsky, Mikhail A; Petrova, Tatijana N; Pokrovsky, Andrey G; Gorovoy, Petr G

2017-02-01

Twenty-one phenolic compounds (1-21) including dihydrocinnamic acid, isoflavonoids, flavonoids, coumestans, pterocarpans, chalcones, isoflavan and isoflaven, were isolated from the roots of Glycyrrhiza pallidiflora Maxim. Phloretinic acid (1), chrysin (6), 9-methoxycoumestan (8), isoglycyrol (9), 6″-O-acetylanonin (19) and 6″-O-acetylwistin (21) were isolated from G. pallidiflora for the first time. Isoflavonoid acetylglycosides 19, 21 might be artefacts that could be produced during the EtOAc fractionation process of whole extract. Compounds 2-4, 10, 11, 19 and 21 were evaluated for their cytotoxic activity with respect to model cancer cell lines (CEM-13, MT-4, U-937) using the conventional MTT assays. Isoflavonoid calycosin (4) showed the best potency against human T-cell leukaemia cells MT-4 (CTD 50 , 2.9 μM). Pterocarpans medicarpin (10) and homopterocarpin (11) exhibit anticancer activity in micromolar range with selectivity on the human monocyte cells U-937. The isoflavan (3R)-vestitol (16) was highly selective on the lymphoblastoid leukaemia cells CEM-13 and was more active than the drug doxorubicin.

High-precision optical measurements of 13C/12C isotope ratios in organic compounds at natural abundance

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Zare, Richard N.; Kuramoto, Douglas S.; Haase, Christa; Tan, Sze M.; Crosson, Eric R.; Saad, Nabil M. R.

2009-01-01

A continuous-flow cavity ring-down spectroscopy (CRDS) system integrating a chromatographic separation technique, a catalytic combustor, and an isotopic 13C/12C optical analyzer is described for the isotopic analysis of a mixture of organic compounds. A demonstration of its potential is made for the geochemically important class of short-chain hydrocarbons. The system proved to be linear over a 3-fold injection volume dynamic range with an average precision of 0.95‰ and 0.67‰ for ethane and propane, respectively. The calibrated accuracy for methane, ethane, and propane is within 3‰ of the values determined using isotope ratio mass spectrometry (IRMS), which is the current method of choice for compound-specific isotope analysis. With anticipated improvements, the low-cost, portable, and easy-to-use CRDS-based instrumental setup is poised to evolve into a credible challenge to the high-cost and complex IRMS-based technique. PMID:19564619

Near-simultaneous optical and infrared spectrophotometry of active galaxies

International Nuclear Information System (INIS)

Yates, M.G.; Garden, R.P.

1989-01-01

We present optical and infrared spectrophotometry for a sample of eight optically bright quasars, and the broad-line radio galaxy (BLRG) 3C 120. The optical and infrared spectrophotometry is separated by only five weeks, thus we have been able to minimize uncertainties due to variations in the objects. We compare our observed Paα/Hα and Hα/Hβ ratios with a large number of current photoionization models. We find that none of these models are able to reproduce our observed values of Paα/Hα in any of the active galaxies except the quasars 3C 273 and 0736+017. (author)

Activation of Persulfates by Graphitized Nanodiamonds for Removal of Organic Compounds.

Science.gov (United States)

Lee, Hongshin; Kim, Hyoung-Il; Weon, Seunghyun; Choi, Wonyong; Hwang, Yu Sik; Seo, Jiwon; Lee, Changha; Kim, Jae-Hong

2016-09-20

This study introduces graphited nanodiamond (G-ND) as an environmentally friendly, easy-to-regenerate, and cost-effective alternative catalyst to activate persulfate (i.e., peroxymonosulfate (PMS) and peroxydisulfate (PDS)) and oxidize organic compounds in water. The G-ND was found to be superior for persulfate activation to other benchmark carbon materials such as graphite, graphene, fullerene, and carbon nanotubes. The G-ND/persulfate showed selective reactivity toward phenolic compounds and some pharmaceuticals, and the degradation kinetics were not inhibited by the presence of oxidant scavengers and natural organic matter. These results indicate that radical intermediates such as sulfate radical anion and hydroxyl radical are not majorly responsible for this persulfate-driven oxidation of organic compounds. The findings from linear sweep voltammetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and electron paramagnetic resonance spectroscopy analyses suggest that the both persulfate and phenol effectively bind to G-ND surface and are likely to form charge transfer complex, in which G-ND plays a critical role in mediating facile electron transfer from phenol to persulfate.

Effects of extraction methods of phenolic compounds from Xanthium strumarium L. and their antioxidant activity

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R. Scherer

2014-03-01

Full Text Available The effect of extraction methods and solvents on overall yield, total phenolic content, antioxidant activity, and the composition of the phenolic compounds in Xanthium strumarium extracts were studied. The antioxidant activity was determined by using 2,2-diphenyl-1-picrylhydrazyl radical (DPPH, and the composition of the phenolic compounds was determined by HPLC-DAD and LC/MS. All results were affected by the extraction method, especially by the solvent used, and the best results were obtained with the methanol extract. The methanolic and ethanolic extracts exhibited strong antioxidant activity, and the chlorogenic and ferulic acids were the most abundant phenolic compounds in the extracts.

Anti-inflammatory activity of different agave plants and the compound cantalasaponin-1.

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Monterrosas-Brisson, Nayeli; Ocampo, Martha L Arenas; Jiménez-Ferrer, Enrique; Jiménez-Aparicio, Antonio R; Zamilpa, Alejandro; Gonzalez-Cortazar, Manases; Tortoriello, Jaime; Herrera-Ruiz, Maribel

2013-07-10

Species of the agave genus, such as Agave tequilana, Agave angustifolia and Agave americana are used in Mexican traditional medicine to treat inflammation-associated conditions. These plants' leaves contain saponin compounds which show anti-inflammatory properties in different models. The goal of this investigation was to evaluate the anti-inflammatory capacity of these plants, identify which is the most active, and isolate the active compound by a bio-directed fractionation using the ear edema induced in mice with 12-O-tetradecanoylphorbol-13-acetate (TPA) technique. A dose of 6 mg/ear of acetone extract from the three agave species induced anti-inflammatory effects, however, the one from A. americana proved to be the most active. Different fractions of this species showed biological activity. Finally the F5 fraction at 2.0 mg/ear induced an inhibition of 85.6%. We identified one compound in this fraction as (25R)-5α-spirostan-3β,6α,23α-triol-3,6-di-O-β-D-glucopyranoside (cantalasaponin-1) through 1H- and 13C-NMR spectral analysis and two dimensional experiments like DEPT NMR, COSY, HSQC and HMBC. This steroidal glycoside showed a dose dependent effect of up to 90% of ear edema inhibition at the highest dose of 1.5 mg/ear.

Sulfur-containing heterocyclic compounds with potential antidiabetic activity

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E. A. Savateeva

2014-12-01

Full Text Available The essential link in the pathogenesis of diabetes mellitus and its complications is a non-enzymatic glycosylation of proteins. However, modern endocrinology lacks of clinically effective pharmaceuticals for its correction. The screening of 23 derivatives of 1,3,4-thiadiazine the ability to inhibit the reaction of non-enzymatic glycosylation of proteins in vitro was held, and 11 the most active compounds of them were selected, also the relationship «structure – activity» was investigated. An essential part of the pathogenesis of diabetes mellitus and its complications is non-enzymatic glycosylation of proteins. However, modern endocrinology lacks clinically effective medicines for its correction.

Hybrid energy storage systems utilizing redox active organic compounds

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Wang, Wei; Xu, Wu; Li, Liyu; Yang, Zhenguo

2015-09-08

Redox flow batteries (RFB) have attracted considerable interest due to their ability to store large amounts of power and energy. Non-aqueous energy storage systems that utilize at least some aspects of RFB systems are attractive because they can offer an expansion of the operating potential window, which can improve on the system energy and power densities. One example of such systems has a separator separating first and second electrodes. The first electrode includes a first current collector and volume containing a first active material. The second electrode includes a second current collector and volume containing a second active material. During operation, the first source provides a flow of first active material to the first volume. The first active material includes a redox active organic compound dissolved in a non-aqueous, liquid electrolyte and the second active material includes a redox active metal.

Aldose Reductase Inhibitory Activity of Compounds from  Zea mays L.

Science.gov (United States)

Kim, Tae Hyeon; Kim, Jin Kyu; Kang, Young-Hee; Lee, Jae-Yong; Kang, Il Jun; Lim, Soon Sung

2013-01-01

Aldose reductase (AR) inhibitors have a considerable therapeutic potential against diabetes complications and do not increase the risk of hypoglycemia. Through bioassay-guided fractionation of an EtOH extract of the kernel from purple corn (Zea mays L.), 7 nonanthocyanin phenolic compounds (compound 1–7) and 5 anthocyanins (compound 8–12) were isolated. These compounds were investigated by rat lens aldose reductase (RLAR) inhibitory assays. Kinetic analyses of recombinant human aldose reductase (rhAR) were performed, and intracellular galactitol levels were measured. Hirsutrin, one of 12 isolated compounds, showed the most potent RLAR inhibitory activity (IC50, 4.78 μM). In the kinetic analyses using Lineweaver-Burk plots of 1/velocity and 1/substrate concentration, hirsutrin showed competitive inhibition against rhAR. Furthermore, hirsutrin inhibited galactitol formation in rat lens and erythrocytes sample incubated with a high concentration of galactose; this finding indicates that hirsutrin may effectively prevent osmotic stress in hyperglycemia. Therefore, hirsutrin derived from Zea mays L. may be a potential therapeutic agent against diabetes complications. PMID:23586057

Screening SIRT1 Activators from Medicinal Plants as Bioactive Compounds against Oxidative Damage in Mitochondrial Function

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Yi Wang

2016-01-01

Full Text Available Sirtuin type 1 (SIRT1 belongs to the family of NAD+ dependent histone deacetylases and plays a critical role in cellular metabolism and response to oxidative stress. Traditional Chinese medicines (TCMs, as an important part of natural products, have been reported to exert protective effect against oxidative stress in mitochondria. In this study, we screened SIRT1 activators from TCMs and investigated their activities against mitochondrial damage. 19 activators were found in total by in vitro SIRT1 activity assay. Among those active compounds, four compounds, ginsenoside Rb2, ginsenoside F1, ginsenoside Rc, and schisandrin A, were further studied to validate the SIRT1-activation effects by liquid chromatography-mass spectrometry and confirm their activities against oxidative damage in H9c2 cardiomyocytes exposed to tert-butyl hydroperoxide (t-BHP. The results showed that those compounds enhanced the deacetylated activity of SIRT1, increased ATP content, and inhibited intracellular ROS formation as well as regulating the activity of Mn-SOD. These SIRT1 activators also showed moderate protective effects on mitochondrial function in t-BHP cells by recovering oxygen consumption and increasing mitochondrial DNA content. Our results suggested that those compounds from TCMs attenuated oxidative stress-induced mitochondrial damage in cardiomyocytes through activation of SIRT1.

Total phenolic and phytosterol compounds and the radical scavenging activity of germinated Australian sweet lupin flour.

Science.gov (United States)

Rumiyati; Jayasena, Vijay; James, Anthony P

2013-12-01

In addition to their favourable nutritional profile, legumes also contain a range of bioactive compounds such as phenolic compounds and phytosterols which may protect against chronic diseases including cancer and cardiovascular disease. Germination of some legume seeds has been previously reported to increase the concentration of the bioactive compounds. In this study, the effect of germination of Australian Sweet Lupin (ASL) seeds for 9 days on the concentration of some bioactive compounds and the radical scavenging activity in the resulting flour was determined. The concentration of total phenolic compounds in methanolic extracts of germinated ASL flour was determined using Folin Ciocalteu reagent and phytosterols in oil extracts were analyzed by gas-liquid chromatography. The methanolic and oil extracts were also used to determine radical scavenging activity toward 2,2-diphenyl-1-picrylhydrazyl. In the methanolic extracts of germinated ASL flour, phenolic contents and the antioxidant activity were significantly increased following germination (700 and 1400 %, respectively). Analysis of the oil extracts of germinated ASL flour revealed that the concentration of phytosterols and the antioxidant activity were also increased significantly compared to ungerminated ASL flour (300 and 800 %, respectively). The relative proportion of phytosterols in germinated ASL flour was: β-sitosterol (60 %), stigmasterol (30 %) and campesterol (10 %). Germination increases the concentration of bioactive compounds and the radical scavenging activity in the germinated ASL flour.

Isotope effect of optical activity measurements on L-α-alanine

International Nuclear Information System (INIS)

Darge, W.; Laczko, I.; Thiemann, W.

1976-01-01

If an optically active organic substance is labelled in the chirality center with another isotopic species (such as 15 N for 14 N) a pronounced variation of rotatory power is predicted. It was tried to varify this idea experimentally on L-α-alanine and found an isotope effect in ORD (optical rotatory dispersion). The magnitude of the rotation is mainly dependent on the pH of the solvent. The ratio of the optical activity alanine- 14 N/alanine- 15 N is about 1.02. It can be seen that the ratios of the molecular rotations are consistently lower than the corresponding ratios of the specific rotations. This is of course due to the fact that the molecular mass 15 M is larger than 14 M. This means tthat the mass difference is already taken into account so that the ratio of the molecular rotations could be defined as the ''net'' isotope effect in the ORDs of 15 N-substitued alanine. From the fact the ORD is different for the isotope-substitued alanine, one can reasonably assume that the absorption coefficient is also different. This leads to speculations about certain problems in the chemical evolution of the biosphere, such as the origin of optical activity. (T.G.)

Response Characterization of a Fiber Optic Sensor Array with Dye-Coated Planar Waveguide for Detection of Volatile Organic Compounds

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Jae-Sung Lee

2014-07-01

Full Text Available We have developed a multi-array side-polished optical-fiber gas sensor for the detection of volatile organic compound (VOC gases. The side-polished optical-fiber coupled with a polymer planar waveguide (PWG provides high sensitivity to alterations in refractive index. The PWG was fabricated by coating a solvatochromic dye with poly(vinylpyrrolidone. To confirm the effectiveness of the sensor, five different sensing membranes were fabricated by coating the side-polished optical-fiber using the solvatochromic dyes Reinhardt’s dye, Nile red, 4-aminophthalimide, 4-amino-N-methylphthalimide, and 4-(dimethylaminocinnamaldehyde, which have different polarities that cause changes in the effective refractive index of the sensing membrane owing to evanescent field coupling. The fabricated gas detection system was tested with five types of VOC gases, namely acetic acid, benzene, dimethylamine, ethanol, and toluene at concentrations of 1, 2,…,10 ppb. Second-regression and principal component analyses showed that the response properties of the proposed VOC gas sensor were linearly shifted bathochromically, and each gas showed different response characteristics.

A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity

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Josinete B. Vieira

2014-07-01

Full Text Available The Density Functional Theory (DFT method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with different degrees of cytotoxicity against the human hepatocellular carcinoma HepG2 line. Principal component analysis (PCA and hierarchical cluster analysis (HCA were employed to select the most important descriptors related to anticancer activity. The significant molecular descriptors related to the compounds with anticancer activity were the ALOGPS_log, Mor29m, IC5 and GAP energy. The Pearson correlation between activity and most important descriptors were used for the regression partial least squares (PLS and principal component regression (PCR models built. The regression PLS and PCR were very close, with variation between PLS and PCR of R2 = ±0.0106, R2ajust = ±0.0125, s = ±0.0234, F(4,11 = ±12.7802, Q2 = ±0.0088, SEV = ±0.0132, PRESS = ±0.4808 and SPRESS = ±0.0057. These models were used to predict the anticancer activity of eight new artemisinin compounds (test set with unknown activity, and for these new compounds were predicted pharmacokinetic properties: human intestinal absorption (HIA, cellular permeability (PCaCO2, cell permeability Maden Darby Canine Kidney (PMDCK, skin permeability (PSkin, plasma protein binding (PPB and penetration of the blood-brain barrier (CBrain/Blood, and toxicological: mutagenicity and carcinogenicity. The test set showed for two new artemisinin compounds satisfactory results for anticancer activity and pharmacokinetic and toxicological properties. Consequently, further studies need be done to evaluate the different proposals as well as their actions, toxicity, and potential use for treatment of cancers.

Extremely Randomized Machine Learning Methods for Compound Activity Prediction

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Wojciech M. Czarnecki

2015-11-01

Full Text Available Speed, a relatively low requirement for computational resources and high effectiveness of the evaluation of the bioactivity of compounds have caused a rapid growth of interest in the application of machine learning methods to virtual screening tasks. However, due to the growth of the amount of data also in cheminformatics and related fields, the aim of research has shifted not only towards the development of algorithms of high predictive power but also towards the simplification of previously existing methods to obtain results more quickly. In the study, we tested two approaches belonging to the group of so-called ‘extremely randomized methods’—Extreme Entropy Machine and Extremely Randomized Trees—for their ability to properly identify compounds that have activity towards particular protein targets. These methods were compared with their ‘non-extreme’ competitors, i.e., Support Vector Machine and Random Forest. The extreme approaches were not only found out to improve the efficiency of the classification of bioactive compounds, but they were also proved to be less computationally complex, requiring fewer steps to perform an optimization procedure.

Standardization of Tragopogon graminifolius DC. Extract Based on Phenolic Compounds and Antioxidant Activity

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Mohammad Hosein Farzaei

2014-01-01

Full Text Available Tragopogon graminifolius DC. (TG, Compositae family, is traditionally used for the treatment of various diseases like gastrointestinal and hepatic disorders. The aim of the present study is to standardize extracts from TG used for preparation of different dosage forms in traditional Iranian medicine (TIM based on phenolic compounds. For this purpose, total phenolic content and some phenolic compounds were determined in ethanolic extracts from aerial part and root of TG by HPLC method. Furthermore, antioxidant activity was evaluated using DPPH-HPLC methods. Caffeic acid, gallic acid, ρ-coumaric acid, ferulic acid, and catechin were detected in root and aerial part of TG. ρ-Coumaric acid (6.357 ± 0.014 mg·g−1 was dominant phenolic compound in aerial part followed by ferulic acid (1.24 ± 0.018 mg·g−1. Also, ρ-coumaric acid (2.685 ± 0.031 mg·g−1 was highly abundant in root, followed by catechin (2.067 ± 0.021 mg·g−1. Antioxidant activity of root extract (460.45 ± 0.78 µg Vit.E.E·mL−1 was better than that of aerial part. Generally, phenolic compounds are one of the major constituents of TG and could be used as markers for standardization of dosage forms prepared from this plant. Also, TG demonstrated significant antioxidant activity using DPPH-HPLC method. Phenolic compounds of TG may be responsible for its marked antioxidant properties.

Two new phenolic compounds and antitumor activities of asparinin A from Asparagus officinalis.

Science.gov (United States)

Li, Xue-Mei; Cai, Jin-Long; Wang, Le; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

2017-02-01

Two new phenolic acid compounds, asparoffin C (1) and asparoffin D (2), together with four known compounds, asparenyol (3), gobicusin B (4), 1-methoxy-2-hydroxy-4-[5-(4-hydroxyphenoxy)-3-penten-1-ynyl] phenol (5), and asparinin A (6), have been isolated from the stems of Asparagus officinalis. The structures were established by extensive spectroscopic methods (MS and 1D and 2D NMR). Compound 6 has obvious antitumor activities both in vitro and in vivo.

Anticancer activity of botanical compounds in ancient fermented beverages (review).

Science.gov (United States)

McGovern, P E; Christofidou-Solomidou, M; Wang, W; Dukes, F; Davidson, T; El-Deiry, W S

2010-07-01

Humans around the globe probably discovered natural remedies against disease and cancer by trial and error over the millennia. Biomolecular archaeological analyses of ancient organics, especially plants dissolved or decocted as fermented beverages, have begun to reveal the preliterate histories of traditional pharmacopeias, which often date back thousands of years earlier than ancient textual, ethnohistorical, and ethnological evidence. In this new approach to drug discovery, two case studies from ancient Egypt and China illustrate how ancient medicines can be reconstructed from chemical and archaeological data and their active compounds delimited for testing their anticancer and other medicinal effects. Specifically, isoscopoletin from Artemisia argyi, artemisinin from Artemisia annua, and the latter's more easily assimilated semi-synthetic derivative, artesunate, showed the greatest activity in vitro against lung and colon cancers. In vivo tests of these compounds previously unscreened against lung and pancreatic cancers are planned for the future.

Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

Science.gov (United States)

Dobrova, B N; Dimoglo, A S; Chumakov, Y M

2000-08-01

The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

Antioxidative activity and emulsifying properties of cuttlefish skin gelatin modified by oxidised phenolic compounds

NARCIS (Netherlands)

Aewsiri, T.; Benjakul, S.; Visessanguan, W.; Eun, J.B.; Wierenga, P.A.; Gruppen, H.

2009-01-01

Antioxidative activity and emulsifying properties of cuttlefish skin gelatin modified by different oxidised phenolic compounds including caffeic acid, ferulic acid and tannic acid at different concentrations were investigated. Oxidised phenolic compounds were covalently attached to gelatin as

THE NATURE OF OPTICALLY DULL ACTIVE GALACTIC NUCLEI IN COSMOS

International Nuclear Information System (INIS)

Trump, Jonathan R.; Impey, Chris D.; Gabor, Jared M.; Taniguchi, Yoshi; Nagao, Tohru; Shioya, Yasuhiro; Brusa, Marcella; Civano, Francesca; Elvis, Martin; Kelly, Brandon C.; Huchra, John P.; Jahnke, Knud; Koekemoer, Anton M.; Salvato, Mara; Capak, Peter; Scoville, Nick Z.; Kartaltepe, Jeyhan S.; Lanzuisi, Giorgio; McCarthy, Patrick J.; Maineri, Vincenzo

2009-01-01

We present infrared, optical, and X-ray data of 48 X-ray bright, optically dull active galactic nuclei (AGNs) in the COSMOS field. These objects exhibit the X-ray luminosity of an AGN but lack broad and narrow emission lines in their optical spectrum. We show that despite the lack of optical emission lines, most of these optically dull AGNs are not well described by a typical passive red galaxy spectrum: instead they exhibit weak but significant blue emission like an unobscured AGN. Photometric observations over several years additionally show significant variability in the blue emission of four optically dull AGNs. The nature of the blue and infrared emission suggest that the optically inactive appearance of these AGNs cannot be caused by obscuration intrinsic to the AGNs. Instead, up to ∼70% of optically dull AGNs are diluted by their hosts, with bright or simply edge-on hosts lying preferentially within the spectroscopic aperture. The remaining ∼30% of optically dull AGNs have anomalously high f X /f O ratios and are intrinsically weak, not obscured, in the optical. These optically dull AGNs are best described as a weakly accreting AGN with a truncated accretion disk from a radiatively inefficient accretion flow.

Antimycobacterial and cytotoxicity activity of synthetic and natural compounds

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Ana O. de Souza

2007-01-01

Full Text Available Antimycobacterial and cytotoxicity activity of synthetic and natural compounds. Secondary metabolites from Curvularia eragrostidis and Drechslera dematioidea, Clusia sp. floral resin, alkaloids from Pilocarpus alatus, salicylideneanilines, piperidine amides, the amine 1-cinnamylpiperazine and chiral pyridinium salts were assayed on Mycobacterium tuberculosis H37Rv. N-(salicylidene-2-hydroxyaniline was the most effective compound with a minimal inhibitory concentration (MIC of 8 µmol/L. Dihydrocurvularin was moderately effective with a MIC of 40 µmol/L. Clusia sp. floral resin and a gallocatechin-epigallocatechin mixture showed MIC of 0.02 g/L and 38 µmol/L, respectively. The cytotoxicity was evaluated for N-(salicylidene-2-hydroxyaniline, curvularin, dihydrocurvularin and Clusia sp. floral resin, and the selectivity indexes were > 125, 0.47, 0.75 and 5, respectively.

Tuning the optical bandgap in multi-cation compound transparent conducting-oxides: The examples of In2ZnO4 and In4Sn3O12

Science.gov (United States)

Sabino, Fernando P.; Oliveira, Luiz N.; Wei, Su-Huai; Da Silva, Juarez L. F.

2018-02-01

Transparent conducting oxides such as the bixbyite In2O3 and rutile SnO2 systems have large disparities between the optical and fundamental bandgaps, ΔEgO F , because selection rules forbid dipolar transitions from the top of the valence band to the conduction-band minimum; however, the optical gaps of multi-cation compounds with the same chemical species often coincide with their fundamental gaps. To explain this conundrum, we have employed density-functional theory to compute the optical properties of multi-cation compounds, In2ZnO4 and In4Sn3O12, in several crystal structures. We show that a recently proposed mechanism to explain the disparity between the optical and fundamental gaps of M2O3 (M = Al, Ga, and In) applies also to other binary systems and to multi-compounds. Namely, a gap disparity will arise if the following three conditions are satisfied: (i) the crystal structure has inversion symmetry; (ii) the conduction-band minimum is formed by the cation and O s-orbitals; and (iii) there is strong p-d coupling and weak p-p in the vicinity of the valence-band maximum. The third property depends critically on the cationic chemical species. In the structures with inversion symmetry, Zn (Sn) strengthens (weakens) the p-d coupling in In2ZnO4 (In4Sn3O12), enhancing (reducing) the gap disparity. Furthermore, we have also identified a In4Sn3O12 structure that is 31.80 meV per formula unit more stable than a recently proposed alternative model.

Activated Carbon Adsorption Characteristics of Multi-component Volatile Organic compounds in a Fixed Bed Adsorption Bed

Energy Technology Data Exchange (ETDEWEB)

Cho, Jong Hoon; Rhee, Young Woo [Chungnam National University, Daejeon (Korea, Republic of); Lee, Sihyun [Korea Institute of Energy Research, Daejeon (Korea, Republic of)

2016-04-15

This study aims to examine absorption characteristics of toluene, isopropyl alcohol (IPA), ethyl acetate (EA), and ternary-compounds, all of which are widely used in industrial processes, by means of four types of commercial activated carbon substances. It turned out that among the three types of volatile organic compounds, the breakthrough point of activated carbon and that of IPA, whose affinity was the lowest, were the lowest, and then that of EA and that of toluene in the order. With the breakthrough point of IPA, which was the shortest, as the standard, changes in the breakthrough points of unary-compounds, binary-compounds, and ternary-compounds were examined. As a result, it turned out that the larger the number of elements, the lower the breakthrough point. This resulted from competitive adsorption, that is, substitution of substances with a low level of affinity with those with a high level of affinity. Hence, the adsorption of toluene-IPA-EA and ternary-compounds require a design of the activated carbon bed based on the breakthrough of IPA, and in the design of activated carbon beds in actual industries as well, a substance whose level of affinity is the lowest needs to be the standard.

Screening of pharmacologically active small molecule compounds identifies antifungal agents against Candida biofilms

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Takao eWatamoto

2015-12-01

Full Text Available Candida species have emerged as important and common opportunistic human pathogens, particularly in immunocompromised individuals. The current antifungal therapies either have toxic side effects or are insufficiently effect. The aim of this study is develop new small-molecule antifungal compounds by library screening methods using C. albicans, and to evaluate their antifungal effects on Candida biofilms and cytotoxic effects on human cells. Wild-type C. albicans strain SC5314 was used in library screening. To identify antifungal compounds, we screened a small-molecule library of 1,280 pharmacologically active compounds (LOPAC1280TM using an antifungal susceptibility test (AST. To investigate the antifungal effects of the hit compounds, ASTs were conducted using Candida strains in various growth modes, including biofilms. We tested the cytotoxicity of the hit compounds using human gingival fibroblast (hGF cells to evaluate their clinical safety. Only 35 compounds were identified by screening, which inhibited the metabolic activity of C. albicans by >50%. Of these, 26 compounds had fungistatic effects and 9 compounds had fungicidal effects on C. albicans. Five compounds, BAY11-7082, BAY11-7085, sanguinarine chloride hydrate, ellipticine and CV-3988, had strong fungicidal effects and could inhibit the metabolic activity of Candida biofilms. However, BAY11-7082, BAY11-7085, sanguinarine chloride hydrate and ellipticine were cytotoxic to hGF cells at low concentrations. CV-3988 showed no cytotoxicity at a fungicidal concentration.Four of the compounds identified, BAY11-7082, BAY11-7085, sanguinarine chloride hydrate and ellipticine, had toxic effects on Candida strains and hGF cells. In contrast, CV-3988 had fungicidal effects on Candida strains, but low cytotoxic effects on hGF cells. Therefore, this screening reveals agent, CV-3988 that was previously unknown to be antifungal agent, which could be a novel therapies for superficial mucosal

Hammerhead ribozyme activity and oligonucleotide duplex stability in mixed solutions of water and organic compounds

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Shu-ichi Nakano

2014-01-01

Full Text Available Nucleic acids are useful for biomedical targeting and sensing applications in which the molecular environment is different from that of a dilute aqueous solution. In this study, the influence of various types of mixed solutions of water and water-soluble organic compounds on RNA was investigated by measuring the catalytic activity of the hammerhead ribozyme and the thermodynamic stability of an oligonucleotide duplex. The compounds with a net neutral charge, such as poly(ethylene glycol, small primary alcohols, amide compounds, and aprotic solvent molecules, added at high concentrations changed the ribozyme-catalyzed RNA cleavage rate, with the magnitude of the effect dependent on the NaCl concentration. These compounds also changed the thermodynamic stability of RNA base pairs of an oligonucleotide duplex and its dependence on the NaCl concentration. Specific interactions with RNA molecules and reduced water activity could account for the inhibiting effects on the ribozyme catalysis and destabilizing effects on the duplex stability. The salt concentration dependence data correlated with the dielectric constant, but not with water activity, viscosity, and the size of organic compounds. This observation suggests the significance of the dielectric constant effects on the RNA reactions under molecular crowding conditions created by organic compounds.

Synthesis, pharmacological activity evaluation and molecular modeling of new polynuclear heterocyclic compounds containing benzimidazole derivatives.

Science.gov (United States)

Bassyouni, Fatma A; Saleh, Tamer S; ElHefnawi, Mahmoud M; Abd El-Moez, Sherein I; El-Senousy, Waled M; Abdel-Rehim, Mohamed E

2012-12-01

Novel heterocyclic compounds containing benzimidazole derivatives were synthesized from 2-(1H-benzimidazol-2-yl) acetonitrile (1) and arylhydrazononitrile derivative 2 was obtained via coupling of 1 with 4-methyl phenyldiazonium salt, which was then reacted with hydroxylamine hydrochloride to give amidooxime derivative 3. This product was cyclized into the corresponding oxadiazole derivative 4 upon reflux in acetic anhydride. Compound 4 was refluxed in DMF in the presence of triethylamine to give the corresponding 5-(1H-benzimidazol-2-yl)-2-p-tolyl-2H-1,2,3-triazol-4-amine 6. Treatment of compound 6 with ethyl chloroformate afforded 2,6-dihydro-2-(4-methylphenyl)-1,2,3-triazolo[4",5"-4',5']pyrimido[1,6-a]benzimidazole-5(4H)-one (8). 1,2-bis(2-cyanomethyl-1H-benzimidazol-1-yl)ethane-1,2-dione (10) was synthesized via the condensation reaction of 2-(1H-benzimidazol-2-yl) acetonitrile (1) and diethyloxalate. The reactivity of compound 10 towards some diamine reagents was studied. The in vitro antimicrobial activity of the synthesized compounds was investigated against several pathogenic bacterial strains such as Escherichia coli O157, Salmonella typhimurium, E. coli O119, S. paratyphi, Pseudomonas aeruginosa, Staphylococcus aureus, Listeria monocytogenes and Bacillus cereus. The results of MIC revealed that compounds 12a-c showed the most effective antimicrobial activity against tested strains. On the other hand, compounds 12a, b exhibited high activity against rotavirus Wa strain while compounds 12b, c exhibited high activity against adenovirus type 7. In silico target prediction, docking and validation of the compounds 12a-c were performed. The dialkylglycine decarboxylase bacterial enzyme was predicted as a potential bacterial target receptor using pharmacophore-based correspondence with previous leads; giving the highest normalized scores and a high correlation docking score with mean inhibition concentrations. A novel binding mechanism was predicted after docking

Quinoline-Based Hybrid Compounds with Antimalarial Activity

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Xhamla Nqoro

2017-12-01

Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

Compounds from Cynomorium songaricum with Estrogenic and Androgenic Activities Suppress the Oestrogen/Androgen-Induced BPH Process.

Science.gov (United States)

Wang, Xueni; Tao, Rui; Yang, Jing; Miao, Lin; Wang, Yu; Munyangaju, Jose Edouard; Wichai, Nuttapong; Wang, Hong; Zhu, Yan; Liu, Erwei; Chang, Yanxu; Gao, Xiumei

2017-01-01

To investigate the phytoestrogenic and phytoandrogenic activities of compounds isolated from CS and uncover the role of CS in prevention of oestrogen/androgen-induced BPH. Cells were treated with CS compounds, and immunofluorescence assay was performed to detect the nuclear translocation of ER α or AR in MCF-7 or LNCaP cells; luciferase reporter assay was performed to detect ERs or AR transcriptional activity in HeLa or AD293 cells; MTT assay was performed to detect the cell proliferation of MCF-7 or LNCaP cells. Oestrogen/androgen-induced BPH model was established in rat and the anti-BPH, anti-estrogenic, and anti-androgenic activities of CS in vivo were further investigated. The nuclear translocation of ER α was stimulated by nine CS compounds, three of which also stimulated AR translocation. The transcriptional activities of ER α and ER β were induced by five compounds, within which only ECG induced AR transcriptional activity as well. Besides, ECG stimulated the proliferation of both MCF-7 cells and LNCaP cells. CS extract suppressed oestrogen/androgen-induced BPH progress in vivo by downregulation of E2 and T level in serum and alteration of the expressions of ER α , ER β , and AR in the prostate. Our data demonstrates that compounds from CS exhibit phytoestrogenic and phytoandrogenic activities, which may contribute to inhibiting the oestrogen/androgen-induced BPH development.

Last results of MADRAS, a space active optics demonstrator

Science.gov (United States)

Laslandes, Marie; Hourtoule, Claire; Hugot, Emmanuel; Ferrari, Marc; Devilliers, Christophe; Liotard, Arnaud; Lopez, Céline; Chazallet, Frédéric

2017-11-01

The goal of the MADRAS project (Mirror Active, Deformable and Regulated for Applications in Space) is to highlight the interest of Active Optics for the next generation of space telescope and instrumentation. Wave-front errors in future space telescopes will mainly come from thermal dilatation and zero gravity, inducing large lightweight primary mirrors deformation. To compensate for these effects, a 24 actuators, 100 mm diameter deformable mirror has been designed to be inserted in a pupil relay. Within the project, such a system has been optimized, integrated and experimentally characterized. The system is designed considering wave-front errors expected in 3m-class primary mirrors, and taking into account space constraints such as compactness, low weight, low power consumption and mechanical strength. Finite Element Analysis allowed an optimization of the system in order to reach a precision of correction better than 10 nm rms. A dedicated test-bed has been designed to fully characterize the integrated mirror performance in representative conditions. The test set up is made of three main parts: a telescope aberrations generator, a correction loop with the MADRAS mirror and a Shack-Hartman wave-front sensor, and PSF imaging. In addition, Fizeau interferometry monitors the optical surface shape. We have developed and characterized an active optics system with a limited number of actuators and a design fitting space requirements. All the conducted tests tend to demonstrate the efficiency of such a system for a real-time, in situ wave-front. It would allow a significant improvement for future space telescopes optical performance while relaxing the specifications on the others components.

Inhibitory mechanism of chroman compound on LPS-induced nitric oxide production and nuclear factor-κB activation

International Nuclear Information System (INIS)

Kim, Byung Hak; Reddy, Alavala Matta; Lee, Kum-Ho; Chung, Eun Yong; Cho, Sung Min; Lee, Heesoon; Min, Kyung Rak; Kim, Youngsoo

2004-01-01

6-Hydroxy-7-methoxychroman-2-carboxylic acid phenylamide (KL-1156) is a novel chemically synthetic compound. In the present study, the chroman KL-1156 compound was found to inhibit lipopolysaccharide (LPS)-induced nitric oxide production in macrophages RAW 264.7. KL-1156 compound attenuated LPS-induced synthesis of both mRNA and protein of inducible nitric oxide synthase (iNOS), in parallel, and inhibited LPS-induced iNOS promoter activity, indicating that the chroman compound down-regulated iNOS expression at transcription level. As a mechanism of the anti-inflammatory action shown by KL-1156 compound, suppression of nuclear factor (NF)-κB has been documented. KL-1156 compound exhibited a dose-dependent inhibitory effect on LPS-induced NF-κB transcriptional activity in macrophages RAW 264.7. Furthermore, the compound inhibited LPS-induced nuclear translocation of NF-κB p65 and DNA binding activity of NF-κB complex, in parallel, but did not affect IκBα degradation. Taken together, this study demonstrated that chroman KL-1156 compound interfered with nuclear translocation step of NF-κB p65, which was attributable to its anti-inflammatory action

p53-independent structure-activity relationships of 3-ring mesogenic compounds' activity as cytotoxic effects against human non-small cell lung cancer lines.

Science.gov (United States)

Fukushi, Saori; Yoshino, Hironori; Yoshizawa, Atsushi; Kashiwakura, Ikuo

2016-07-25

We recently demonstrated the cytotoxicity of liquid crystal precursors (hereafter referred to as "mesogenic compounds") in the human non-small cell lung cancer (NSCLC) cell line A549 which carry wild-type p53. p53 mutations are observed in 50 % of NSCLC and contribute to their resistance to chemotherapy. To develop more effective and cancer-specific agents, in this study, we investigated the structure-activity relationships of mesogenic compounds with cytotoxic effects against multiple NSCLC cells. The pharmacological effects of mesogenic compounds were examined in human NSCLC cells (A549, LU99, EBC-1, and H1299) and normal WI-38 human fibroblast. Analyses of the cell cycle, cell-death induction, and capsases expression were performed. The 3-ring compounds possessing terminal alkyl and hydroxyl groups (compounds C1-C5) showed cytotoxicity in NSCLC cells regardless of the p53 status. The compounds C1 and C3, which possess a pyrimidine at the center of the core, induced G2/M arrest, while the compounds without a pyrimidine (C2, C4, and C5) caused G1 arrest; all compounds produced caspase-mediated cell death. These events occurred in a p53-independent manner. Furthermore, it was suggested that compounds induced cell death through p53-independent DNA damage-signaling pathway. Compounds C2, C4, and C5 did not show strong cytotoxicity in WI-38 cells, whereas C1 and C3 did. However, the cytotoxicity of compound C1 against WI-38 cells was improved by modulating the terminal alkyl chain lengths of the compound. We showed the p53-indepdent structure-activity relationships of mesogenic compounds related to the cytotoxic effects. These structure-activity relationships will be helpful in the development of more effective and cancer-specific agents.

Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

Science.gov (United States)

Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

2018-06-01

Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

Anti-Inflammatory Activity of Different Agave Plants and the Compound Cantalasaponin-1

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Jaime Tortoriello

2013-07-01

Full Text Available Species of the agave genus, such as Agave tequilana, Agave angustifolia and Agave americana are used in Mexican traditional medicine to treat inflammation-associated conditions. These plants’ leaves contain saponin compounds which show anti-inflammatory properties in different models. The goal of this investigation was to evaluate the anti-inflammatory capacity of these plants, identify which is the most active, and isolate the active compound by a bio-directed fractionation using the ear edema induced in mice with 12-O-tetradecanoylphorbol-13-acetate (TPA technique. A dose of 6 mg/ear of acetone extract from the three agave species induced anti-inflammatory effects, however, the one from A. americana proved to be the most active. Different fractions of this species showed biological activity. Finally the F5 fraction at 2.0 mg/ear induced an inhibition of 85.6%. We identified one compound in this fraction as (25R-5α-spirostan-3β,6α,23α-triol-3,6-di-O-β-D-glucopyranoside (cantalasaponin-1 through 1H- and 13C-NMR spectral analysis and two dimensional experiments like DEPT NMR, COSY, HSQC and HMBC. This steroidal glycoside showed a dose dependent effect of up to 90% of ear edema inhibition at the highest dose of 1.5 mg/ear.

2-(Substituted phenyl-3,4-dihydroisoquinolin-2-iums as Novel Antifungal Lead Compounds: Biological Evaluation and Structure-Activity Relationships

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Xin-Juan Yang

2013-08-01

Full Text Available The title compounds are a class of structurally simple analogues of quaternary benzo[c]phenanthridine alkaloids (QBAs. In order to develop novel QBA-like antifungal drugs, in this study, 24 of the title compounds with various substituents on the N-phenyl ring were evaluated for bioactivity against seven phytopathogenic fungi using the mycelial growth rate method and their SAR discussed. Almost all the compounds showed definite activities in vitro against each of the test fungi at 50 μg/mL and a broad antifungal spectrum. In most cases, the mono-halogenated compounds 2–12 exhibited excellent activities superior to the QBAs sanguinarine and chelerythrine. Compound 8 possessed the strongest activities on each of the fungi with EC50 values of 8.88–19.88 µg/mL and a significant concentration-dependent relationship. The SAR is as follows: the N-phenyl group is a high sensitive structural moiety for the activity and the characteristics and position of substituents intensively influence the activity. Generally, electron-withdrawing substituents remarkably enhance the activity while electron-donating substituents cause a decrease of the activity. In most cases, ortha- and para-halogenated isomers were more active than the corresponding m-halogenated isomers. Thus, the title compounds emerged as promising lead compounds for the development of novel biomimetic antifungal agrochemicals. Compounds 8 and 2 should have great potential as new broad spectrum antifungal agents for plant protection.

FTTA System Demo Using Optical Fiber-Coupled Active Antennas

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Niels Neumann

2014-08-01

Full Text Available The convergence of optical and wireless systems such as Radio-over-Fiber (RoF networks is the key to coping with the increasing bandwidth demands due to the increasing popularity of video and other high data rate applications. A high level of integration of optical technologies enables simple base stations with a fiber-to-the-antenna (FTTA approach. In this paper, we present a complete full-duplex RoF–FTTA system consisting of integrated active fiber-coupled optical receiving and transmitting antennas that are directly connected to a standard single mode fiber optical link. Data rates up to 1 Gbit/s could be shown without advanced modulation formats on a 1.5 GHz carrier frequency. The antennas as well as the whole system are explained and the results of the system experiments are discussed.

Active control of electromagnetic radiation through an enhanced thermo-optic effect

Science.gov (United States)

Sheng, Chong; Liu, Hui; Zhu, Shining; Genov, Dentcho A.

2015-01-01

The control of electromagnetic radiation in transformation optical metamaterials brings the development of vast variety of optical devices. Of a particular importance is the possibility to control the propagation of light with light. In this work, we use a structured planar cavity to enhance the thermo-optic effect in a transformation optical waveguide. In the process, a control laser produces apparent inhomogeneous refractive index change inside the waveguides. The trajectory of a second probe laser beam is then continuously tuned in the experiment. The experimental results agree well with the developed theory. The reported method can provide a new approach toward development of transformation optical devices where active all-optical control of the impinging light can be achieved. PMID:25746689

A two-stage compound parabolic concentrator system with a large entrance over the exit aperture ratio

International Nuclear Information System (INIS)

Angelescu, Tatiana; Radu, A. A.

2000-01-01

Certain optical designs in the field of high energy gamma ray astronomy components of the Cherenkov light, collected by the mirror of telescope, be concentrated on the photo-cathodes of the photomultiplier tubes, with the help of the light collectors having large entrance and small exit apertures. Mathematical restrictions imposed by the design of the compound parabolic concentrator (CPC) implied that for a given cut-off angle and an entrance aperture, the exit aperture of the CPC should not exceed a limit value. If this value is larger than the active diameter of the photocathode, an additional concentrator must be added to the system in order to transfer the light collected, from the exit aperture of the compound parabolic concentrator to the photocathode of the photomultiplier tube. Different designs of a two-stage system composed by a a hollow compound parabolic concentrator and a solid, dielectric filled concentrator are evaluated in this paper, from the point of view of optical efficiency and manufacturability. (authors)

Phenolic Compounds from Halimodendron halodendron (Pall. Voss and Their Antimicrobial and Antioxidant Activities

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Jihua Wang

2012-09-01

Full Text Available Halimodendron halodendron has been used as forage in northwestern China for a long time. Its young leaves and flowers are edible and favored by indigenous people. In this study, eleven phenolic compounds were bioassay-guided and isolated from the aerial parts of H. halodendron for the first time. They were identified by means of physicochemical and spectrometric analysis as quercetin (1, 3,5,7,8,4'-pentahydroxy-3'-methoxy flavone (2, 3-O-methylquercetin (3, 3,3'-di-O-methylquercetin (4, 3,3'-di-O-methylquercetin-7-O-β-D-glucopyranoside (5, isorhamentin-3-O-β-D-rutinoside (6, 8-O-methylretusin (7, 8-O-methylretusin-7-O-β-D-glucopyranoside (8, salicylic acid (9, p-hydroxybenzoic acid (ferulic acid (10, and 4-hydroxy-3-methoxy cinnamic acid (11. They were sorted as flavonols (1–6, soflavones (7 and 8, and phenolic acids (9–11. Among the compounds, flanools 1–4 revealed a strong antibacterial activity with minimum inhibitory concentration (MIC values of 50–150 μg/mL, and median inhibitory concentration (IC50 values of 26.8–125.1 μg/mL. The two isoflavones (7 and 8 showed moderate inhibitory activity on the test bacteria. Three phenolic acids (9, 10 and 11 showed strong antibacterial activity with IC50 values of 28.1–149.7 μg/mL. Antifungal activities of the compounds were similar to their antibacterial activities. All these phenolic compounds showed significant antimicrobial activity with a broad spectrum as well as antioxidant activity based on 1,1-diphenyl-2-picrylhydrazyl (DPPH radical scavenging and β-carotene-linoleic acid bleaching assays. In general, the flavonol aglycones with relatively low polarity exhibited stronger activities than the glycosides. The results suggest the potential of this plant as a source of functional food ingredients and provide support data for its utilization as forage as well.

High-Throughput Gene Expression Profiles to Define Drug Similarity and Predict Compound Activity.

Science.gov (United States)

De Wolf, Hans; Cougnaud, Laure; Van Hoorde, Kirsten; De Bondt, An; Wegner, Joerg K; Ceulemans, Hugo; Göhlmann, Hinrich

2018-04-01

By adding biological information, beyond the chemical properties and desired effect of a compound, uncharted compound areas and connections can be explored. In this study, we add transcriptional information for 31K compounds of Janssen's primary screening deck, using the HT L1000 platform and assess (a) the transcriptional connection score for generating compound similarities, (b) machine learning algorithms for generating target activity predictions, and (c) the scaffold hopping potential of the resulting hits. We demonstrate that the transcriptional connection score is best computed from the significant genes only and should be interpreted within its confidence interval for which we provide the stats. These guidelines help to reduce noise, increase reproducibility, and enable the separation of specific and promiscuous compounds. The added value of machine learning is demonstrated for the NR3C1 and HSP90 targets. Support Vector Machine models yielded balanced accuracy values ≥80% when the expression values from DDIT4 & SERPINE1 and TMEM97 & SPR were used to predict the NR3C1 and HSP90 activity, respectively. Combining both models resulted in 22 new and confirmed HSP90-independent NR3C1 inhibitors, providing two scaffolds (i.e., pyrimidine and pyrazolo-pyrimidine), which could potentially be of interest in the treatment of depression (i.e., inhibiting the glucocorticoid receptor (i.e., NR3C1), while leaving its chaperone, HSP90, unaffected). As such, the initial hit rate increased by a factor 300, as less, but more specific chemistry could be screened, based on the upfront computed activity predictions.

Antimicrobial activity of crude fractions and morel compounds from wild edible mushrooms of North western Himalaya.

Science.gov (United States)

Shameem, Nowsheen; Kamili, Azra N; Ahmad, Mushtaq; Masoodi, F A; Parray, Javid A

2017-04-01

The antimicrobial properties of morel compounds from wild edible mushrooms (Morchella esculenta and Verpa bohemica) from Kashmir valley was investigated against different clinical pathogens. The butanol crude fraction of most popular or true morel M. esculenta showed highest 19 mm IZD against E.coli while as same fraction of Verpa bohemica exhibited 15 mm IZD against same strain. The ethyl acetate and butanol crude fractions of both morels also exhibited good antifungal activity with highest IZD shown against A. fumigates. The three morel compounds showed quite impressive anti bacterial and fungal activities. The Cpd 3 showed highest inhibitory activity almost equivalent to the synthetic antibiotics used as control. The MIC/MBC values revealed the efficiency of isolated compounds against the pathogenic strains. In the current study significant inhibitory activity of morel compounds have been obtained paying the way for their local use from ancient times. Copyright © 2017. Published by Elsevier Ltd.

Anti-BACE1 and Antimicrobial Activities of Steroidal Compounds Isolated from Marine Urechis unicinctus

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Yong-Zhe Zhu

2018-03-01

Full Text Available The human β-site amyloid cleaving enzyme (BACE1 has been considered as an effective drug target for treatment of Alzheimer’s disease (AD. In this study, Urechis unicinctus (U. unicinctus, which is a Far East specialty food known as innkeeper worm, ethanol extract was studied by bioassay-directed fractionation and isolation to examine its potential β-site amyloid cleaving enzyme inhibitory and antimicrobial activity. The following compounds were characterized: hecogenin, cholest-4-en-3-one, cholesta-4,6-dien-3-ol, and hurgadacin. These compounds were identified by their mass spectrometry, 1H, and 13C NMR spectral data, comparing those data with NIST/EPA/NIH Mass spectral database (NIST11 and published values. Hecogenin and cholest-4-en-3-one showed significant inhibitory activity against BACE1 with EC50 values of 116.3 and 390.6 µM, respectively. Cholesta-4,6-dien-3-ol and hurgadacin showed broad spectrum antimicrobial activity, particularly strongly against Escherichia coli (E. coli, Salmonella enterica (S. enterica, Pasteurella multocida (P. multocida, and Physalospora piricola (P. piricola, with minimal inhibitory concentration (MIC ranging from 0.46 to 0.94 mg/mL. This is the first report regarding those four known compounds that were isolated from U. unicinctus and their anti-BACE1 and antimicrobial activity, highlighting the fact that known natural compounds may be a critical source of new medicine leads. These findings provide scientific evidence for potential application of those bioactive compounds for the development of AD drugs and antimicrobial agents.

Anti-BACE1 and Antimicrobial Activities of Steroidal Compounds Isolated from Marine Urechis unicinctus.

Science.gov (United States)

Zhu, Yong-Zhe; Liu, Jing-Wen; Wang, Xue; Jeong, In-Hong; Ahn, Young-Joon; Zhang, Chuan-Jie

2018-03-14

The human β-site amyloid cleaving enzyme (BACE1) has been considered as an effective drug target for treatment of Alzheimer's disease (AD). In this study, Urechis unicinctus (U. unicinctus) , which is a Far East specialty food known as innkeeper worm, ethanol extract was studied by bioassay-directed fractionation and isolation to examine its potential β-site amyloid cleaving enzyme inhibitory and antimicrobial activity. The following compounds were characterized: hecogenin, cholest-4- en -3-one, cholesta-4,6- dien -3-ol, and hurgadacin. These compounds were identified by their mass spectrometry, ¹H, and 13 C NMR spectral data, comparing those data with NIST/EPA/NIH Mass spectral database (NIST11) and published values. Hecogenin and cholest-4- en -3-one showed significant inhibitory activity against BACE1 with EC 50 values of 116.3 and 390.6 µM, respectively. Cholesta-4,6- dien -3-ol and hurgadacin showed broad spectrum antimicrobial activity, particularly strongly against Escherichia coli (E. coli) , Salmonella enterica (S. enterica) , Pasteurella multocida (P. multocida) , and Physalospora piricola (P. piricola) , with minimal inhibitory concentration (MIC) ranging from 0.46 to 0.94 mg/mL. This is the first report regarding those four known compounds that were isolated from U. unicinctus and their anti-BACE1 and antimicrobial activity, highlighting the fact that known natural compounds may be a critical source of new medicine leads. These findings provide scientific evidence for potential application of those bioactive compounds for the development of AD drugs and antimicrobial agents.

Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

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Mantsyzov AB

2012-09-01

Full Text Available Alexey B Mantsyzov,1 Guillaume Bouvier,2 Nathalie Evrard-Todeschi,1 Gildas Bertho11Université Paris Descartes, Sorbonne, Paris, France; 2Institut Pasteur, Paris, FranceAbstract: Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations of these methods relates to inaccurate binding energy estimation, which results in false scoring of docked compounds. Automatic analysis of poses using self-organizing maps (AuPosSOM represents an alternative approach for the evaluation of docking results based on the clustering of compounds by the similarity of their contacts with the receptor. A scoring function was developed for the identification of the active compounds in the AuPosSOM clustered dataset. In addition, the AuPosSOM efficiency for the clustering of compounds and the identification of key contacts considered as important for its activity, were also improved. Benchmark tests for several targets revealed that together with the developed scoring function, AuPosSOM represents a good alternative to the energy-based scoring functions for the evaluation of docking results.Keywords: scoring, docking, virtual screening, CAR, AuPosSOM

IDENTIFICATION AND ANTIOXIDANT ACTIVITY TEST OF SOME COMPOUNDS FROM METHANOL EXTRACT PEEL OF BANANA (Musa paradisiaca Linn.

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Sri Atun

2010-06-01

Full Text Available The objective of these research was measured activity as antioxidant some compounds in methanol extracts of peel of banana (Musa paradisiaca Linn., isolated some compounds which had activities as antioxidant, and determined this structure. Method of this study was extracted powdered peel of banana with methanol at room temperature. Extract was concentrated in vaccuo and then successively was partitioned with n-hexane, chloroform, etyl acetate, and buthanol. Antioxidant test from each fractions was measured by hydroxyl radical scavenger test with Fenton reaction method. The result of this study showed activity each fractions as  hydroxyl radical scavenger activity of chloroform, etyl acetate, and buthanol fraction were IC50 693.15; 2347.40; and 1071.14 mg/mL respectively. The isolation of secondary metabolite compounds from chloroform fraction obtained two isolate compounds. Identification by spectroscopy IR,  MS, 1H and 13C NMR one and two dimension showed that the compounds are 5,6,7,4'-tetrahidroxy-3,4-flavan-diol and a new compound cyclohexenon derivative (2-cyclohexene-1-on-2,4,4-trimethyl-3-O-2'-hydroxypropyl ether.   Keywords: antioxidant, peel of banana, Musa paradisiaca, hydroxyl radical scavenger

Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship

Science.gov (United States)

Hui Wang; Mingyue Jiang; Shujun Li; Chung-Yun Hse; Chunde Jin; Fangli Sun; Zhuo Li

2017-01-01

Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections. To design new cinnamaldehyde amino acid Schiff base compounds with high bioactivity, the quantitative structure–activity relationships (QSARs) for CAAS compounds against Aspergillus niger (A. niger) and...

Bioactive compounds, antioxidant and binding activities and spear yield of Asparagus officinalis L.

Science.gov (United States)

Lee, Jong Won; Lee, Jeong Hyun; Yu, In Ho; Gorinstein, Shela; Bae, Jong Hyang; Ku, Yang Gyu

2014-06-01

The aim of this investigation was to find a proper harvesting period and establishing fern number, which effects the spear yield, bioactive compounds and antioxidant activities of Asparagus officinalis L. Spears were harvested at 2, 4, and 6 weeks after sprouting. Control for comparison was used without harvest. Spears and total yield increased with prolonged spear harvest period. In harvest of 6 weeks long optimum spear yield was the highest and fern numbers were 5 ~ 8. Bioactive compounds (polyphenols, flavonoids, flavanols, tannins and ascorbic acid) and the levels of antioxidant activities by ferric-reducing/antioxidant power (FRAP) and cupric reducing antioxidant capacity (CUPRAC) assays in asparagus ethanol extracts significantly differed in the investigated samples and were the highest at 6 weeks harvest period (P asparagus were studied by the interaction of polyphenol ethanol extracts with HSA, using 3D- FL. In conclusion, antioxidant status (bioactive compounds, binding and antioxidant activities) improved with the harvesting period and the first segment from spear tip. Appropriate harvesting is effective for higher asparagus yield and its bioactivity.

Acquisition of compound words in Chinese-English bilingual children: Decomposition and cross-language activation

NARCIS (Netherlands)

Cheng, C.; Wang, M.; Perfetti, C.A.

2011-01-01

This study investigated compound processing and cross-language activation in a group of Chinese–English bilingual children, and they were divided into four groups based on the language proficiency levels in their two languages. A lexical decision task was designed using compound words in both

Crystallographic properties of fertilizer compounds

Energy Technology Data Exchange (ETDEWEB)

Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

1991-02-01

This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

The USC-OSA-EPS section activities in optics

Science.gov (United States)

Aymerich, María.; Cambronero-López, Ferran; Aragón, Ángel L.; Delgado, Tamara; Blanco, Manuel; Gómez Varela, Ana I.; Gargallo, Ana; Williamson, Sandra; Amorín, Adán.; Sánchez-García, Ángel; Bao-Varela, Carmen; Flores-Arias, M. Teresa

2017-08-01

The USC-OSA Student Chapter and USC-EPS Young Minds Section is a group financed by The Optical Society (OSA) and the European Physical Society (EPS). It is formed by PhD and degree students from the Universidade de Santiago de Compostela (USC) and one supervisor of the Faculty of Physics. Its main goal is to promote and diffuse Optics in the society. For this purpose, the group carries out several activities in the academic and non-academic community. The group is also committed to the professional development of our members and motivates the exposition of our work into the scientific community.

Exploring sets of molecules from patents and relationships to other active compounds in chemical space networks

Science.gov (United States)

Kunimoto, Ryo; Bajorath, Jürgen

2017-09-01

Patents from medicinal chemistry represent a rich source of novel compounds and activity data that appear only infrequently in the scientific literature. Moreover, patent information provides a primary focal point for drug discovery. Accordingly, text mining and image extraction approaches have become hot topics in patent analysis and repositories of patent data are being established. In this work, we have generated network representations using alternative similarity measures to systematically compare molecules from patents with other bioactive compounds, visualize similarity relationships, explore the chemical neighbourhood of patent molecules, and identify closely related compounds with different activities. The design of network representations that combine patent molecules and other bioactive compounds and view patent information in the context of current bioactive chemical space aids in the analysis of patents and further extends the use of molecular networks to explore structure-activity relationships.

Design, synthesis, antiviral activity and mode of action of phenanthrene-containing N-heterocyclic compounds inspired by the phenanthroindolizidine alkaloid antofine.

Science.gov (United States)

Yu, Xiuling; Wei, Peng; Wang, Ziwen; Liu, Yuxiu; Wang, Lizhong; Wang, Qingmin

2016-02-01

The phenanthroindolizidine alkaloid antofine and its analogues have excellent antiviral activity against tobacco mosaic virus (TMV). To simplify the structure and the synthesis of the phenanthroindolizidine alkaloid, a series of phenanthrene-containing N-heterocyclic compounds (compounds 1 to 33) were designed and synthesised, based on the intermolecular interaction of antofine and TMV RNA, and systematically evaluated for their anti-TMV activity. Most of these compounds exhibited good to reasonable anti-TMV activity. The optimum compounds 5, 12 and 21 displayed higher activity than the lead compound antofine and commercial ribavirin. Compound 12 was chosen for field trials of antiviral efficacy against TMV, and was found to exhibit better activity than control plant virus inhibitors. Compounds 5 and 12 were chosen for mode of action studies. The changes in fluorescence intensity of compounds 5 and 12 on separated TMV RNA showed that these small molecules can also bind to TMV RNA, but the mode is very different from that of antofine. The compounds combining phenanthrene and an N-heterocyclic ring could maintain the anti-TMV activity of phenanthroindolizidines, but their modes of action are different from that of antofine. The present study lays a good foundation for us to find more efficient anti-plant virus reagents. © 2015 Society of Chemical Industry.

A community computational challenge to predict the activity of pairs of compounds.

Science.gov (United States)

Bansal, Mukesh; Yang, Jichen; Karan, Charles; Menden, Michael P; Costello, James C; Tang, Hao; Xiao, Guanghua; Li, Yajuan; Allen, Jeffrey; Zhong, Rui; Chen, Beibei; Kim, Minsoo; Wang, Tao; Heiser, Laura M; Realubit, Ronald; Mattioli, Michela; Alvarez, Mariano J; Shen, Yao; Gallahan, Daniel; Singer, Dinah; Saez-Rodriguez, Julio; Xie, Yang; Stolovitzky, Gustavo; Califano, Andrea

2014-12-01

Recent therapeutic successes have renewed interest in drug combinations, but experimental screening approaches are costly and often identify only small numbers of synergistic combinations. The DREAM consortium launched an open challenge to foster the development of in silico methods to computationally rank 91 compound pairs, from the most synergistic to the most antagonistic, based on gene-expression profiles of human B cells treated with individual compounds at multiple time points and concentrations. Using scoring metrics based on experimental dose-response curves, we assessed 32 methods (31 community-generated approaches and SynGen), four of which performed significantly better than random guessing. We highlight similarities between the methods. Although the accuracy of predictions was not optimal, we find that computational prediction of compound-pair activity is possible, and that community challenges can be useful to advance the field of in silico compound-synergy prediction.

Optical storage media based on fluorite activated crystals

International Nuclear Information System (INIS)

Mokienko, I.Yu.; Poletimov, A.E.; Shcheulin, A.S.

1991-01-01

Earlier studied mechanisms of photo- and thermotransformations of defects in pure and activated additively coloured crystals with fluorite structure are considered to suggest several methods of reversible optical recording of images, characterized by high resistance to high-power laser radiation and mechanical deformation

Anti-equine arteritis virus activity of ethanolic extract and compounds from Origanum vulgare

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Daiane Einhardt Blank

2017-05-01

Full Text Available The equine arteritis virus (EAV is responsible by an important respiratory and reproductive disease in equine populations and there is no specific antiviral treatment available. The objective of this study was to investigate the activity of an ethanolic crude extract of Origanum vulgare (EEO and of isolated compound caffeic acid, p-coumaric acid, rosmarinic acid, quercetin, luteolin, carnosol, carnosic acid, kaempferol and apigenin against EAV. The assays were performed using non-cytotoxic concentrations. The antiviral activity was monitored initially by cytopathic effect inhibition (CPE assay in RK13 cells in the presence or absence of EEO. Pre-incubated cells with EEO were also examined to show prophylactic effect. Direct viral inactivation by EEO and isolated compounds was evaluated by incubation at 37°C or 20°C. After the incubation period, the infectivity was immediately determined by virus titrations on cell cultures and expressed as 50% tissue culture infective dose (TCID50/100 µL. There was significant virucidal activity of EEO and of the compounds caffeic acid, p-coumaric acid, quercetin, carnosic acid and kaempferol. When EEO was added after infection, EEO inhibited the virus growth in infected cells, as evidenced by significant reduction of the viral titre. The results provide evidence that the EEO exhibit an inhibitory effect anti-EAV. Among the main compounds evaluated, caffeic acid, p-coumaric acid, carnosic acid, kaempferol and mainly quercetin, contributed to the activity of EEO. EEO may represent a good prototype for the development of a new antiviral agent, presenting promising for combating arteriviruses infections.

Coherent phonon optics in a chip with an electrically controlled active device.

Science.gov (United States)

Poyser, Caroline L; Akimov, Andrey V; Campion, Richard P; Kent, Anthony J

2015-02-05

Phonon optics concerns operations with high-frequency acoustic waves in solid media in a similar way to how traditional optics operates with the light beams (i.e. photons). Phonon optics experiments with coherent terahertz and sub-terahertz phonons promise a revolution in various technical applications related to high-frequency acoustics, imaging, and heat transport. Previously, phonon optics used passive methods for manipulations with propagating phonon beams that did not enable their external control. Here we fabricate a phononic chip, which includes a generator of coherent monochromatic phonons with frequency 378 GHz, a sensitive coherent phonon detector, and an active layer: a doped semiconductor superlattice, with electrical contacts, inserted into the phonon propagation path. In the experiments, we demonstrate the modulation of the coherent phonon flux by an external electrical bias applied to the active layer. Phonon optics using external control broadens the spectrum of prospective applications of phononics on the nanometer scale.

Elaboration, structural, vibrational and optical investigation of a two-dimensional self-assembled organic–inorganic hybrid compound

International Nuclear Information System (INIS)

Dammak, T.; Boughzala, H.; Mlayah, A.; Abid, Y.

2016-01-01

Single crystals of a hybrid organic/inorganic material with the formula (C 4 N 3 H 16 )Cl[CuCl 4 ] were elaborated and studied by X-ray diffraction, and photoluminescence. The crystals consist of a self-assembled multilayer structure with a Pnam space group. The structure is built up from the staking of infinite two-dimensional layers of CuCl 6 corner-sharing octahedra, separated by organic (C 4 N 3 H 16 ) 3+ chains. Such a structure may be regarded as a multi quantum well system, in which CuCl 6 layers act as semiconductor wells and the organic molecules act as insulator barriers Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed. For optical investigations, thin films have been prepared by spin-coating method from the ethanol solution of the material. Optical absorption spectra shows characteristic absorptions of CuCl-based layered perovskite centered at 300 and 380 nm, whereas the photoluminescence spectra shows a bleu intense emission around 420 nm, associated to radiative recombination of confined excitons in the CuCl 6 Quantum wells.

Screening for Antiviral Activities of Isolated Compounds from Essential Oils

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Akram Astani

2011-01-01

Full Text Available Essential oil of star anise as well as phenylpropanoids and sesquiterpenes, for example, trans-anethole, eugenol, β-eudesmol, farnesol, β-caryophyllene and β-caryophyllene oxide, which are present in many essential oils, were examined for their antiviral activity against herpes simplex virus type 1 (HSV-1 in vitro. Antiviral activity was analyzed by plaque reduction assays and mode of antiviral action was determined by addition of the drugs to uninfected cells, to the virus prior to infection or to herpesvirus-infected cells. Star anise oil reduced viral infectivity by >99%, phenylpropanoids inhibited HSV infectivity by about 60–80% and sesquiterpenes suppressed herpes virus infection by 40–98%. Both, star anise essential oil and all isolated compounds exhibited anti-HSV-1 activity by direct inactivation of free virus particles in viral suspension assays. All tested drugs interacted in a dose-dependent manner with herpesvirus particles, thereby inactivating viral infectivity. Star anise oil, rich in trans-anethole, revealed a high selectivity index of 160 against HSV, whereas among the isolated compounds only β-caryophyllene displayed a high selectivity index of 140. The presence of β-caryophyllene in many essential oils might contribute strongly to their antiviral ability. These results indicate that phenylpropanoids and sesquiterpenes present in essential oils contribute to their antiviral activity against HSV.

Raman Optical Activity and Raman Spectra of Amphetamine Species

DEFF Research Database (Denmark)

Berg, Rolf W.; Shim, Irene; White, Peter Cyril

2012-01-01

Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT-molecular orbi......Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT...... are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enanti- omer has a considerable influence on the Raman...

Cu-O network dependence of optical charge-transfer gaps and spin-pair excitations in single-CuO2-layer compounds

International Nuclear Information System (INIS)

Tokura, Y.; Koshihara, S.; Arima, T.; Takagi, H.; Ishibashi, S.; Ido, T.; Uchida, S.

1990-01-01

Spectra of optical conductivity and magnon Raman scattering have been investigated in single crystals of a parent family of cuprate superconductors with various types of Cu-O single-layer networks. The analysis of the spectra shows the systematic dependence of the charge-transfer gaps and covalent character of Cu-O bonds on the pattern of the Cu-O network, while the spin-exchange energy is rather convergent for all the single-CuO 2 -sheet compounds

Antitumor activity of extract and isolated compounds from Drechslera rostrata and Eurotium tonophilum

Directory of Open Access Journals (Sweden)

Fatmah A.S. Alasmary

2018-02-01

Full Text Available Total extracts of Drechslera rostrata and Eurotium tonophilum in addition of two isolated compounds from their cultures [di-2-ethylhexyl phthalate (H1 and 1,8-Dihydroxy-3-methoxy-6-methyl-anthraquinone (H2] were tested for their antitumor activity using four human carcinoma cell lines. Antitumor activity was assessed by performing MTT assay to check the % cell viability. The % viability of HCT-116 (colon carcinoma, HeLa (cervical carcinoma, HEp-2 (larynx carcinoma and HepG-2 (hepatocellular carcinoma cells decreased after treatment with Drechslera rostrata and Eurotium tonophilum extracts, these effects were ranged from 059.0 ±  0.1 to 217.0  ±  0.3 µg/ml on all types of cancer cells. The best activity was recorded for Eurotium tonpholium extract (054.5 ± 0.3, 059.0 ± 0.5 and 059.0 ± 0.1 for HEp-2, Hela, and HepG-2 respectively. The isolated compounds (H1&H2 were found to be responsible about the activities because they recorded the lowest IC50 on tested cell lines with range of 9.5–20.3 μg/ml. Vinblastine sulphate was used as a reference standard and showed in vitro anticancer activity. This study demonstrated that all extracts and isolated compounds have antitumor activity against HCT-116, HeLa, HEp-2 and HepG-2 cells.

A SAR and QSAR study of new artemisinin compounds with antimalarial activity.

Science.gov (United States)

Santos, Cleydson Breno R; Vieira, Josinete B; Lobato, Cleison C; Hage-Melim, Lorane I S; Souto, Raimundo N P; Lima, Clarissa S; Costa, Elizabeth V M; Brasil, Davi S B; Macêdo, Williams Jorge C; Carvalho, José Carlos T

2013-12-30

The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs) and molecular docking were used to investigate the interaction between ligands and the receptor (heme). Principal component analysis and hierarchical cluster analysis were employed to select the most important descriptors related to activity. The correlation between biological activity and molecular properties was obtained using the partial least squares and principal component regression methods. The regression PLS and PCR models built in this study were also used to predict the antimalarial activity of 30 new artemisinin compounds with unknown activity. The models obtained showed not only statistical significance but also predictive ability. The significant molecular descriptors related to the compounds with antimalarial activity were the hydration energy (HE), the charge on the O11 oxygen atom (QO11), the torsion angle O1-O2-Fe-N2 (D2) and the maximum rate of R/Sanderson Electronegativity (RTe+). These variables led to a physical and structural explanation of the molecular properties that should be selected for when designing new ligands to be used as antimalarial agents.

The importance of extremophile cyanobacteria in the production of biologically active compounds

Directory of Open Access Journals (Sweden)

Drobac-Čik Aleksandra V.

2007-01-01

Full Text Available Due to their ability to endure extreme conditions, terrestrial cyanobacteria belong to a group of organisms known as "extremophiles". Research so far has shown that these organisms posses a great capacity for producing biologically active compounds (BAC. The antibacterial and antifungal activities of methanol extracts of 21 cyanobacterial strains belonging to Anabaena and Nostoc genera, previously isolated from different soil types and water resources in Serbia, were evaluated. In general, larger number of cyanobacterial strains showed antifungal activity. In contrast to Nostoc, Anabaena strains showed greater diversity of antibacterial activity (mean value of percentages of sensitive targeted bacterial strains 3% and 25.9% respectively. Larger number of targeted fungi was sensitive to cultural liquid extract (CL, while crude cell extract (CE affected more bacterial strains. According to this investigation, the higher biological activity of terrestrial strains as representatives of extremophiles may present them as significant BAC producers. This kind of investigation creates very general view of cyanobacterial possibility to produce biologically active compounds but it points out the necessity of exploring terrestrial cyanobacterial extremophiles as potentially excellent sources of these substances and reveals the most prospective strains for further investigations.

Facile determination of the specific activity of carbonyl compounds reduced by tritiated borohydride

Energy Technology Data Exchange (ETDEWEB)

Avigad, G [Rutgers--the State Univ., Piscataway, NJ (USA)

1979-12-01

Three procedures are described for microliter samples of glucose 6-phosphate or lactose as model compounds. After the reduction with (/sup 3/H)-NaBH/sub 4/ and suitable treatment, specific activity is calculated from the ratios /sup 3/H activity/total phosphorus, /sup 3/H//sup 14/C activity, or /sup 3/H activity/galactoside concentration.

Investigation of optical and magneto-optical constants and their surface-oxide-layer effects of single-crystalline GdCo2

International Nuclear Information System (INIS)

Lee, S.J.; Kim, K.J.; Canfield, P.C.; Lynch, D.W.

2000-01-01

We investigated the optical and magneto-optical properties of single-crystalline GdCo 2 by spectroscopic ellipsometry (SE) and magneto-optical Kerr spectrometry (MOKS). The diagonal component of the optical conductivity tensor of the compound was obtained by SE in the 1.5-5.5 eV region and the off-diagonal component by using the measured magneto-optical parameters (Kerr rotation and ellipticity) by MOKS and the SE data. The measured spectra were corrected for the surface oxide layer by employing a three-phase model treating the oxide layer as nonmagnetic with constant refractive index. The magnitude of the diagonal component becomes enhanced and the optical transition structures of the off-diagonal component become more pronounced by the oxide correction. The overall optical and magneto-optical data are discussed in terms of the calculated spin-polarized band structure and optical absorption of the compound and the effect of the surface oxide layer

Calculation of optical second-harmonic susceptibilities and optical activity for crystals

International Nuclear Information System (INIS)

Levine, Z.H.

1994-01-01

A new generation of nearly first-principles calculations predicts both the linear and second-harmonic susceptibilities for a variety of insulating crystals, including GaAs, GaP, AlAs, AlP, Se, α-quartz, and c-urea. The results are typically in agreement with experimental measurements. The calculations have been extended to optical activity, with somewhat less success to date. The theory, based on a simple self-energy correction to the local density approximation, and results are reviewed herein

Antileishmanial Activity of the Hydroalcoholic Extract of Miconia langsdorffii, Isolated Compounds, and Semi-Synthetic Derivatives

Directory of Open Access Journals (Sweden)

Wilson R. Cunha

2011-02-01

Full Text Available The in vitro activity of the crude hydroalcoholic extract of the aerial parts of Miconia langsdorffii Cogn. was evaluated against the promastigote forms of L. amazonensis, the causative agent of cutaneous leishmaniasis in humans. The bioassay-guided fractionation of this extract led to identification of the triterpenes ursolic acid and oleanolic acid as the major compounds in the fraction that displayed the highest activity. Several ursolic acid semi-synthetic derivatives were prepared, to find out whether more active compounds could be obtained. Among these ursolic acid-derived substances, the C-28 methyl ester derivative exhibited the best antileishmanial activity.

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

International Nuclear Information System (INIS)

Mubarak, A.A.; Al-Omari, Saleh

2015-01-01

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF 3 and RbNiF 3 . The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF 3 compound has a half-metallic behavior while the RbNiF 3 compound has a semiconductor behavior with indirect (M–Γ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra. - Highlights: • RbFeF 3 and RbNiCl 3 compounds are elastically stable. • RbFeF 3 and RbNiCl 3 compounds are classified as a ductile compound. • The RbFeF 3 compound has a half-metallic behavior while the RbNiF 3 compound has a semiconductor behavior. • The optical properties were calculated for the radiation of up to 40 eV

High Throughput, Label-free Screening Small Molecule Compound Libraries for Protein-Ligands using Combination of Small Molecule Microarrays and a Special Ellipsometry-based Optical Scanner.

Science.gov (United States)

Landry, James P; Fei, Yiyan; Zhu, X D

2011-12-01

Small-molecule compounds remain the major source of therapeutic and preventative drugs. Developing new drugs against a protein target often requires screening large collections of compounds with diverse structures for ligands or ligand fragments that exhibit sufficiently affinity and desirable inhibition effect on the target before further optimization and development. Since the number of small molecule compounds is large, high-throughput screening (HTS) methods are needed. Small-molecule microarrays (SMM) on a solid support in combination with a suitable binding assay form a viable HTS platform. We demonstrate that by combining an oblique-incidence reflectivity difference optical scanner with SMM we can screen 10,000 small-molecule compounds on a single glass slide for protein ligands without fluorescence labeling. Furthermore using such a label-free assay platform we can simultaneously acquire binding curves of a solution-phase protein to over 10,000 immobilized compounds, thus enabling full characterization of protein-ligand interactions over a wide range of affinity constants.

Developmental impairment of compound action potential in the optic nerve of myelin mutant taiep rats.

Science.gov (United States)

Roncagliolo, Manuel; Schlageter, Carol; León, Claudia; Couve, Eduardo; Bonansco, Christian; Eguibar, José R

2006-01-05

The taiep rat is a myelin mutant with an initial hypomyelination, followed by a progressive demyelination of the CNS. The neurological correlates start with tremor, followed by ataxia, immobility episodes, epilepsy and paralysis. The optic nerve, an easily-isolable central tract fully myelinated by oligodendrocytes, is a suitable preparation to evaluate the developmental impairment of central myelin. We examined the ontogenic development of optic nerve compound action potentials (CAP) throughout the first 6 months of life of control and taiep rats. Control optic nerves (ON) develop CAPs characterized by three waves. Along the first month, the CAPs of taiep rats showed a delayed maturation, with lower amplitudes and longer latencies than controls; at P30, the conduction velocity has only a third of the normal value. Later, as demyelination proceeds, the conduction velocity of taiep ONs begins to decrease and CAPs undergo a gradual temporal dispersion. CAPs of control and taiep showed differences in their pharmacological sensitivity to TEA and 4-AP, two voltage dependent K+ channel-blockers. As compared with TEA, 4-AP induced a significant increase of the amplitudes and a remarkable broadening of CAPs. After P20, unlike controls, the greater sensitivity to 4-AP exhibited by taiep ONs correlates with the detachment and retraction of paranodal loops suggesting that potassium conductances could regulate the excitability as demyelination of CNS axons progresses. It is concluded that the taiep rat, a long-lived mutant, provides a useful model to study the consequences of partial demyelination and the mechanisms by which glial cells regulate the molecular organization and excitability of axonal membranes during development and disease.

Identification of the functional binding pocket for compounds targeting small-conductance Ca2+-activated potassium channels

Science.gov (United States)

Zhang, Miao; Pascal, John M.; Schumann, Marcel; Armen, Roger S.; Zhang, Ji-fang

2012-01-01

Small- and intermediate-conductance Ca2+-activated potassium channels, activated by Ca2+-bound calmodulin, play an important role in regulating membrane excitability. These channels are also linked to clinical abnormalities. A tremendous amount of effort has been devoted to developing small molecule compounds targeting these channels. However, these compounds often suffer from low potency and lack of selectivity, hindering their potentials for clinical use. A key contributing factor is the lack of knowledge of the binding site(s) for these compounds. Here we demonstrate by X-ray crystallography that the binding pocket for the compounds of the 1-EBIO class is located at the calmodulin-channel interface. We show that, based on structure data and molecular docking, mutations of the channel can effectively change the potency of these compounds. Our results provide insight into the molecular nature of the binding pocket and its contribution to the potency and selectivity of the compounds of the 1-EBIO class. PMID:22929778

Study towards diversity oriented synthesis of optically active ...

Indian Academy of Sciences (India)

oxidation procedures, all the reactions were carried out either in argon or nitrogen .... ring solution of alcohol 9a (300mg, 0.70mmol) dis- solved in 20 mL of DCM ..... In summary, diversity-oriented approach for the synthe- sis of optically active, ...

Accurate measurement of the optical activity of alanine crystals and the determination of their absolute chirality

Science.gov (United States)

Ishikawa, Kazuhiko; Terasawa, Yukana; Tanaka, Masahito; Asahi, Toru

2017-05-01

Wavelength dependence measurements of the chiroptical properties in alanine crystals have so far been unsuccessful using conventional spectroscopic techniques. We describe our attempts to measure the wavelength dependence of the optical activity in L- and D-alanine crystals along each crystallographic axis, and to determine the absolute chirality of alanine crystals by correlating the absolute structure to the optical activity using an x-ray diffractometer and a generalized high accuracy universal polarimeter. We have succeeded in accurately measuring the optical rotatory dispersion in the direction, which shows that the optical rotation of the D-alanine crystal is dextrorotatory and that of the L-alanine crystal is laevorotatory, thereby determining the absolute chirality. Furthermore, comparison with the optical activity in solution shows that the optical activity in alanine crystals is different not only in value, but also in the sign. These results have led us to conclude that the optical rotatory power in the crystalline state should not be simply the summation of molecular optical rotatory power values. We propose the necessity of a theory, which contains the contribution of molecular interactions within the crystal, in order to calculate the optical rotatory power of the crystalline state.

Exploration of the anti-enterovirus activity of a series of pleconaril/pirodavir-like compounds.

Science.gov (United States)

Bernard, Angela; Lacroix, Céline; Cabiddu, Maria G; Neyts, Johan; Leyssen, Pieter; Pompei, Raffaello

2015-04-01

The Enterovirus genus of the Picornaviridae is represented by several viral pathogens that are associated with human disease, namely Poliovirus 1, Enterovirus 71 and Rhinoviruses. Enterovirus 71 has been associated with encephalitis, while Rhinoviruses are a major cause of asthma exacerbations and chronic obstructive pulmonary disease. Based on the structure of both pleconaril and pirodavir, we previously synthesized some original compounds as potential inhibitors of Rhinovirus replication. These compounds were explored for in vitro antiviral potential on other human pathogenic Enteroviruses, namely Enterovirus 71 on rhabdo-myosarcoma cells, Coxsackievirus B3 on Vero cells, Poliovirus 1 and Echovirus 11 on BGM cells. Activity was confirmed for compound against Rhinovirus 14. Furthermore, few compounds showed a cell-protective effect on Enterovirus 71, presented a marked improvement as compared to the reference drug pleconaril for inhibitory activity on both Enterovirus 71 and Poliovirus 1. The most striking observation was the clear cell protective effect for the set of analogues in a virus-cell-based assay for Echovirus 11 with an effective concentration (EC50) as low as 0.3 µM (Selectivity index or SI = 483), and selectivity indexes greater than 857 (EC50 = 0.6 µM) and 1524 (EC50 = 0.33 µM). Some of the evaluated compounds showed potent and selective antiviral activity against several enterovirus species, such as Enterovirus 71 (EV-A), Echovirus 11 (EV-B), and Poliovirus 1 (EV-C). This could be used as a starting point for the development of other pleconaril/pirodavir-like enterovirus inhibitors with broad-spectrum activity and improved effects as compared to the reference drugs. © The Author(s) 2015.

Combined electrochemical degradation and activated carbon adsorption treatments for wastewater containing mixed phenolic compounds

Energy Technology Data Exchange (ETDEWEB)

Rajkumar, D.; Palanivelu, K.; Balasubramanian, N. [Anna University, Madras (India). Center for Environmental Studies

2005-01-01

Electrochemical degradation of mixed phenolic compounds present in coal conversion wastewater was investigated in the presence of chloride as supporting electrolyte. Initially, the degradation experiments were conducted separately with 300 mg/L of individual phenolic compound in the presence of 2500 mg/L chloride using Ti/TiO{sub 2}-RuO{sub 2}-IrO{sub 2} anode at 5.4 A/dm{sup 2} current density. Comparison of the experimental results of the chemical oxygen demand (COD) removal versus charge indicated that the order of decreasing COD removal for various phenolic compounds as catechol {gt} resorcinol {gt} m-cresol {gt} o-cresol {gt} phenol {gt} p-cresol. Degradation of the mixture of phenolic compounds and high-pressure liquid chromatography (HPLC) determinations at various stages of electrolysis showed that phenolic compounds were initially converted into benzoquinone and then to lower molecular weight aliphatic compounds. The COD and the total organic carbon (TOC) removal were 83 and 58.9% after passing 32 Ah/L with energy consumption of 191.6 kWh/kg of COD removal. Experiments were also conducted to remove adsorbable organic halogens (AOX) content in the treated solution using granular activated carbon. The optimum conditions for the removal of AOX was at pH 3.0, 5 mL/min flow rate and 31.2 cm bed height. Based on the investigation, a general scheme of treatment of mixed phenolic compounds by combined electrochemical and activated carbon adsorption treatment is proposed.

[The content of phenolic compounds and antioxidant activity ready to eat desserts for infants].

Science.gov (United States)

Filipiak-Florkiewicz, Agnieszka; Dereń, Katarzyna

2011-01-01

The aim of this study was to determine the content of phenolic compounds and antioxidant activity in ready-to-eat desserts for babies. The experimental material consisted of six kinds of fruit desserts taken from the market in 2008, in which the content of dry matter phenolic compounds and antioxidant activity levels on the basis of free radical quenching ability ABTS were determined. The largest share of dry matter was found in apricot mousse with apples and bananas (16.9%). The largest amounts of phenolic compounds were found in the cream with apple and wild rose (186.3 mg/100 g) and apple with forest fruits (170.7 mg/100 g). The highest antioxidant activity among the desserts was determined in cream with apple and wild rose (14.2 micromol Trolox/g) and apple mousse with peaches (12.8 micromol Trolox/g). The antioxidant capacity of the remaining examined purée was slightly lower and ranged from 11.4-11.7 micromol Trolox/g.

Phenolic compounds and antioxidant activity of kernels and shells of Mexican pecan (Carya illinoinensis).

Science.gov (United States)

de la Rosa, Laura A; Alvarez-Parrilla, Emilio; Shahidi, Fereidoon

2011-01-12

The phenolic composition and antioxidant activity of pecan kernels and shells cultivated in three regions of the state of Chihuahua, Mexico, were analyzed. High concentrations of total extractable phenolics, flavonoids, and proanthocyanidins were found in kernels, and 5-20-fold higher concentrations were found in shells. Their concentrations were significantly affected by the growing region. Antioxidant activity was evaluated by ORAC, DPPH•, HO•, and ABTS•-- scavenging (TAC) methods. Antioxidant activity was strongly correlated with the concentrations of phenolic compounds. A strong correlation existed among the results obtained using these four methods. Five individual phenolic compounds were positively identified and quantified in kernels: ellagic, gallic, protocatechuic, and p-hydroxybenzoic acids and catechin. Only ellagic and gallic acids could be identified in shells. Seven phenolic compounds were tentatively identified in kernels by means of MS and UV spectral comparison, namely, protocatechuic aldehyde, (epi)gallocatechin, one gallic acid-glucose conjugate, three ellagic acid derivatives, and valoneic acid dilactone.

Enrichment of Phenolic Compounds from Olive Mill Wastewater and In Vitro Evaluation of Their Antimicrobial Activities

Directory of Open Access Journals (Sweden)

Saleh Abu-Lafi

2017-01-01

Full Text Available The production of olive oil generates massive quantities of by-product called olive mill wastewater (OMWW. The uncontrolled disposal of OMWW poses serious environmental problems. The OMWW effluent is rich in several polyphenolic compounds. Liquid-liquid extraction of OMWW using ethyl acetate solvent was used to enrich phenolic compounds under investigation. Total phenolic and flavonoid content and antioxidant activity of the extract were determined. HPLC coupled to photodiode array (PDA detector was used to analyze the main three phenolic compounds of OMWW, namely, hydroxytyrosol, tyrosol, and oleuropein. The antimicrobial activity of the extract was also investigated. Additionally, the OMWW extract was used as natural preservative and antioxidants for olive oil. Results showed that OMWW is very rich in phenolic compounds and has strong antioxidant activity. HPLC analysis showed that the extract contains mainly hydroxytyrosol and tyrosol but no oleuropein. The OMWW extract showed also positive activities as antibacterial (gram positive and gram negative and antifungal as well as activities against yeast. The addition of OMWW extract to olive oil samples has an effect on the stability of olive oil as reflected by its acid value, peroxide value, K232 and K270, and total phenolic content.

Characterization of phenolic compounds and antinociceptive activity of Sempervivum tectorum L. leaf juice.

Science.gov (United States)

Alberti, Ágnes; Béni, Szabolcs; Lackó, Erzsébet; Riba, Pál; Al-Khrasani, Mahmoud; Kéry, Ágnes

2012-11-01

Sempervivum tectorum L. (houseleek) leaf juice has been known as a traditional herbal remedy. The aim of the present study was the chemical characterization of its phenolic compounds and to develop quantitation methods for its main flavonol glycoside, as well as to evaluate its antinociceptive activity. Lyophilized houseleek leaf juice was studied by HPLC-DAD coupled to electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) to identify flavonol glycosides, hydroxy-benzoic and hydroxy-cinnamic acids. Ten flavonol glycosides and sixteen phenolic acid compounds were identified or tentatively characterized. Structure of the main flavonol compound was identified by nuclear magnetic resonance spectroscopy. Three characteristic kaempferol glycosides were isolated and determined by LC-ESI-MS/MS with external calibration method, using the isolated compounds as standard. The main flavonol glycoside was also determined by HPLC-DAD. Validated HPLC-DAD and LC-ESI-MS/MS methods were developed to quantify kaempferol-3-O-rhamnosyl-glucoside-7-O-rhamnoside and two other kaempferol glycosides. Antinociceptive activity of houseleek leaf juice was investigated by writhing test of mice. Sempervivum extract significantly reduced pain in the mouse writhing test. Copyright © 2012 Elsevier B.V. All rights reserved.

Integrated Active and Passive Polymer Optical Components with nm to mm Features

DEFF Research Database (Denmark)

Christiansen, Mads Brøkner; Schøler, Mikkel; Kristensen, Anders

2007-01-01

We present wafer-scale fabrication of integrated active and passive polymer optics with nm to mm features. First order DFB lasers, defined in dye doped SU-8 resist are integrated with SU-8 waveguides.......We present wafer-scale fabrication of integrated active and passive polymer optics with nm to mm features. First order DFB lasers, defined in dye doped SU-8 resist are integrated with SU-8 waveguides....

A New Acetylenic Compound and Other Bioactive Metabolites from a Shark Gill-derived Penicillium Strain

Directory of Open Access Journals (Sweden)

Yi Zhang

2017-01-01

Full Text Available Nine chiral compounds (1−9 were isolated from the static fermentation culture of a shark gill-derived fungus Penicillium polonicum AP2T1. These compounds include a new acetylenic aromatic ether (1 , (--WA , four alkaloids ( a urantiomide C ( 2 , fructigenine A (3, cyclopenin (4 and cyclopenol (5 and four oxygenated compounds ((R-penipratynolene (6, (3S,4S-3,4-dihydro-3,4,8-trihydroxyl-naphthalenone (7, verrucosidin (8 and norverrucosidin (9. Their structures were elucidated by MS, NMR , optical rotation and circular dichroism (CD . In antimicrobial tests , compounds 1–4, 6 and 8–9 showed weak antibacterial activity against Staphylococcus aureus, Bacillus subtilis, and/or Escherichia coli.Compounds 3, 8 and 9 also exhibited moderate toxicity against Artemia salina larva , and showed cytotoxicity against human colon cancer cell line HCT116.

BIOLOGICALLY ACTIVE COMPOUNDS OF ARTEMISIA ANNUA. SESQUITERPENE LACTONES

Directory of Open Access Journals (Sweden)

D. A. Konovalov

2016-01-01

Full Text Available Artemisia annua is an herblike annual plant which has been used in Chinese folk medicine for more than 2,000 years. In 1970-s sesquiterpene lactones of artemisinin was isolated from the aboveground part of this plant. Today it is the most efficient known natural and synthetic compound for malaria treatment.The purpose of the study was the review of the information from the open sources about the study for sesquiterpene lactones of Artemisia annua referring to its pharmacological activity.Methods. The study was carried out using informational and search engines (PubMed, ScholarGoogle, library databases (eLibrary, Cyberleninca, and the results of our own researches.Results. It was established that apart from the essential oil and phenolic compounds, aboveground part of Artemisia annua, it contains a significant amount of sesquiterpene lactones. Qualitative content and quantitative composition of sesquiterpene lactones varies depending on the ecological and geographic factors, plants growing phase, cultivation technology, drying methods etc. Well-known pharmacological studies of the extracts from Artemisia annua herb with sesquiterpene lactones, as well as individual compounds of this group characterize this type of raw materials as a perspective source for more profound research.Conclusion. Our analysis of the open materials on the sesquiterpene lactones of Artemisia annua, including phytochemical and pharmacological ones, allows characterization of the Artemisia annua herb as a perspective source for new drugs working out.

Antibacterial and Cytotoxic Activity of Extracts and Isolated Compounds from Myrciariaferruginea (Myrtaceae

Directory of Open Access Journals (Sweden)

Cinthia Costa de Lima

2017-01-01

Full Text Available This study evaluated for the first time the antibacterial activity, cell viability and migration ability on 3T3 murine fibroblast cells of extracts and isolated compounds [lupeol (1, hexamethylcoruleoellagic acid (2 and a mixture of 1 and betulinaldehyde (3] of Myrciaria ferruginea. In antibacterial assays extracts were susceptible only against S. aureus (MIC 500 μg/mL and S. epidermidis (MIC ranging from 7.8 to 500 μg/mL and compounds 1-3have shown no significant activity. In trials for c ell viability, with exception of MeOH-H 2O fraction from leaves (viable cells > 90%, both the crude extract and other fractions showed inhibition of cell growth (viable cells ≤ 80% at 15.625 and 31.25 μg/mL; while the samples from stems, with the exception of CHCl 3 fraction that showed strong cytotoxic effect at the lowest concentration tested (15.625 μg/mL, the other fractions were not cytotoxic. Compounds (1-3 inhibited cell viability in dose dependent manner (15.625 to 500 μg/mL. Mixture containing 1 and 3 showed inhibitions only in concentrations greater than 62.5 μg/mL while compound 2 decreased from the lowest concentration tested. In scratch wound assay, these compoundsnot increased the population of fibroblasts at concentrations less than 62.5 μg/mL.

Antimicrobial activities of some Thai traditional medical longevity formulations from plants and antibacterial compounds from Ficus foveolata.

Science.gov (United States)

Meerungrueang, W; Panichayupakaranant, P

2014-09-01

Medicinal plants involved in traditional Thai longevity formulations are potential sources of antimicrobial compounds. To evaluate the antimicrobial activities of some extracts from medicinal plants used in traditional Thai longevity formulations against some oral pathogens, including Streptococcus pyogenes, Streptococcus mitis, Streptococcus mutans, and Candida albicans. An extract that possessed the strongest antimicrobial activity was fractionated to isolate and identify the active compounds. Methanol and ethyl acetate extracts of 25 medicinal plants used as Thai longevity formulations were evaluated for their antimicrobial activity using disc diffusion (5 mg/disc) and broth microdilution (1.2-2500 µg/mL) methods. The ethyl acetate extract of Ficus foveolata Wall. (Moraceae) stems that exhibited the strongest antibacterial activity was fractionated to isolate the active compounds by an antibacterial assay-guided isolation process. The ethyl acetate extract of F. foveolata showed the strongest antibacterial activity with minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of 19.5-39.0 and 39.0-156.2 µg/mL, respectively. On the basis of an antibacterial assay-guided isolation, seven antibacterial compounds, including 2,6-dimethoxy-1,4-benzoquinone (1), syringaldehyde (2), sinapaldehyde (3), coniferaldehyde (4), 3β-hydroxystigmast-5-en-7-one (5), umbelliferone (6), and scopoletin (7), were purified. Among these isolated compounds, 2,6-dimethoxy-1,4-benzoquinone (1) exhibited the strongest antibacterial activities against S. pyogenes, S. mitis, and S. mutans with MIC values of 7.8, 7.8, and 15.6 µg/mL, and MBC values of 7.8, 7.8, and 31.2 µg/mL, respectively. In addition, this is the first report of these antibacterial compounds in the stems of F. foveolata.

Ab initio study of the structural, electronic and optical properties of BAs and BN compounds and BN{sub x}As{sub 1−x} alloys

Energy Technology Data Exchange (ETDEWEB)

Guemou, M., E-mail: guemoumhamed7@gmail.com [Engineering Physics Laboratory, Ibn Khaldoun University of Tiaret, Postbox 78-Zaaroura, 14000 Tiaret (Algeria); Abdiche, A.; Riane, R. [Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara (Algeria)

2014-03-01

In this work, we present a density-functional theory study of structural, electronic and optical properties of BAs, BN binary compounds and their ternary BN{sub x}As{sub 1−x} solid solutions. The calculations are done by using the all-electron full potential linear augmented plane-wave method (FP-LAPW) as employed in WIEN2k code. For the exchange-correlation potential, local-density approximation (LDA) and generalized gradient approximation (GGA) have been used to calculate theoretical lattice parameters, bulk modulus, and its pressure derivative. The electronic band structure of these compounds have been calculated by using the above two approximations. We have also investigated in this article the density of state and the optical properties such as the dielectric function and the refractive index of BAs, BN and BN{sub 0.25}As{sub 0.75} compounds by using the above method. The results obtained for structural and electronic properties are compared with experimental data and other computational work. It has been found that the energy bands with all these approximations are similar except the band gap values. It has also been found that our results with LDA and GGA are in good agreement with other computational work wherever these are available.

Identification of Active Compounds in the Root of Merung (Coptosapelta tomentosa Valeton K. Heyne)

Science.gov (United States)

Fitriyana

2018-04-01

The roots of Merung (Coptosapelta tomentosa Valeton K. Heyne) are a group of shrubs usually found on the margins of secondary dryland forest. Empirically, local people have been using the roots of Merung for medical treatment. However, some researches show that the plant extract is used as a poisonous material applied on the tip of the arrow (dart). Based on the online literature study, there are less than 5 articles that provide information about the active compound of this root extract. This study aimed to give additional information more deeply about the content of active compound of Merung root extract in three fractions, n-hexane (nonpolar), ethyl acetate (semi polar) and methanol (polar). The extract was then analysed using Gas Chromatography-Mass Spectrometry (GC-MS). GC-MS analysis of root extract in n-hexane showed there were 56 compounds, with the main compound being decanoic acid, methyl ester (peak 5, 10.13%), 11-Octadecenoic acid, methyl ester (peak 15, 10.43%) and 1H-Pyrazole, 3- (4-chlorophenyl) -4, 5-dihydro-1-phenyl (peak 43, 11.25%). Extracts in ethyl acetate fraction obtained 81 compounds. The largest component is Benzoic acid (peak 19, 22.40%), whereas in methanol there are 38 compounds, of which the main component is 2-Furancarboxaldehyde, 5-(hydroxyl methyl) (peak 29, 30.46%).

New Gold(I) Organometallic Compounds with Biological Activity in Cancer Cells

NARCIS (Netherlands)

Bertrand, Benoit; de Almeida, Andreia; van der Burgt, Evelien P. M.; Picquet, Michel; Citta, Anna; Folda, Alessandra; Rigobello, Maria Pia; Le Gendre, Pierre; Bodio, Ewen; Casini, Angela

N-Heterocyclic carbene gold(I) complexes bearing a fluorescent coumarin ligand were synthesized and characterized by various techniques. The compounds were examined for their antiproliferative effects in normal and tumor cells in vitro; they demonstrated moderate activity and a certain degree of

Strong Broadband Terahertz Optical Activity through Control of the Blaschke Phase with Chiral Metasurfaces

Science.gov (United States)

Cole, Michael A.; Chen, Wen-chen; Liu, Mingkai; Kruk, Sergey S.; Padilla, Willie J.; Shadrivov, Ilya V.; Powell, David A.

2017-07-01

We demonstrate terahertz chiral metamaterials that achieve resonant transmission and strong optical activity. This response is realized in a metasurface coupled to its Babinet complement, with additional twist. Uniquely, the optical activity achieved in this type of metamaterial is weakly dispersive around the resonant transmission maxima, but it can be highly dispersive around the transmission minima. It has recently been shown that this unique optical activity response is closely related to zeros in the transmission spectra of circular polarizations through the Kramers-Kronig relations and strong resonant features in the optical activity spectrum corresponding to the Blaschke phase terms. Here we demonstrate how modifying the meta-atom geometry greatly affects the location and magnitude of these Blaschke phase terms. We study three different meta-atoms, which are variations on the simple cross structure. Their responses are measured using terahertz time-domain spectroscopy and analyzed via numerical simulations.

Analysis technique for controlling system wavefront error with active/adaptive optics

Science.gov (United States)

Genberg, Victor L.; Michels, Gregory J.

2017-08-01

The ultimate goal of an active mirror system is to control system level wavefront error (WFE). In the past, the use of this technique was limited by the difficulty of obtaining a linear optics model. In this paper, an automated method for controlling system level WFE using a linear optics model is presented. An error estimate is included in the analysis output for both surface error disturbance fitting and actuator influence function fitting. To control adaptive optics, the technique has been extended to write system WFE in state space matrix form. The technique is demonstrated by example with SigFit, a commercially available tool integrating mechanical analysis with optical analysis.

Polyhydroxybutyrate and phenolic compounds microalgae electrospun nanofibers: A novel nanomaterial with antibacterial activity.

Science.gov (United States)

Kuntzler, Suelen Goettems; Almeida, Ana Claudia Araujo de; Costa, Jorge Alberto Vieira; Morais, Michele Greque de

2018-07-01

Polymer nanofibers produced by electrospinning are promising for use in food packaging because of their nanometric diameter, which provides a barrier to external conditions above the possible incorporation of the active compounds. The microalga Spirulina sp. LEB 18 synthesizes bioproducts, such as polyhydroxybutyrate (PHB), which is biodegradable and has similar mechanical and thermal properties to polymers of petrochemical origin. Moreover, phenolic compounds of microalgae have antibacterial, antifungal, and antioxidant activities, which is a differential for the development of packaging. The objective of the study was to develop a nanomaterial with antibacterial action from bioproducts of microalgal origin. PHB nanofibers containing phenolic compounds presented average diameter of 810±85nm exhibited hydrophobicity, which gave protection to the food relative to the moisture outside the package. These nanofibers showed inhibition of the growth of Staphylococcus aureus ATCC 25923 with a zone of 7.5±0.4mm. Thermal and mechanical properties have confirmed the potential applicability of this material as food packaging. This new nanomaterial combines a packaging function to protect products and to be biodegradable with the antibacterial activity that prevents the proliferation of microorganisms and ensures the quality and preservation of food. Published by Elsevier B.V.

Cerebroside D, a glycoceramide compound, improves experimental colitis in mice with multiple targets against activated T lymphocytes

Energy Technology Data Exchange (ETDEWEB)

Wu, Xue-Feng; Wu, Xing-Xin; Guo, Wen-Jie; Luo, Qiong [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Gu, Yan-Hong [Department of Clinical Oncology, The First Affiliated Hospital of Nanjing Medical University, Nanjing 210029 (China); Shen, Yan; Tan, Ren-Xiang [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Sun, Yang, E-mail: yangsun@nju.edu.cn [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China); Xu, Qiang, E-mail: molpharm@163.com [State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093 (China)

2012-09-15

In the present paper, we aimed to examine the novel effects of cerebroside D, a glycoceramide compound, on murine experimental colitis. Cerebroside D significantly reduced the weight loss, mortality rate and alleviated the macroscopic and microscopic appearances of colitis induced by dexran sulfate sodium. This compound also decreased the levels of TNF-α, IFN-γ and IL-1β in intestinal tissue of mice with experimental colitis in a concentration-dependent manner, accompanied with markedly increased serum level of IL-10. Cerebroside D inhibited proliferation and induced apoptosis of T cells activated by concanavalin A or anti-CD3 plus anti-CD28 antibodies. The compound did not show an effect on naive lymphocytes but prevented cells from entering S phase and G2/M phase during T cells activation. Moreover, the treatment of cerebroside D led to apoptosis of activated T cells with the cleavage of caspase 3, 9, 12 and PARP. These results showed multiple effects of cerebroside D against activated T cells for a novel approach to treatment of colonic inflammation. Highlights: ► Cerebroside D, a glycoceramide compound, alleviated DSS induced colitis. ► The mechanism of the compound involved multiple effects against activated T cells. ► It regulated cytokine profiles in mice with experimental colitis. ► It prevented T cells from entering S and G2/M phases during activation. ► It led to apoptosis of activated T cells with the cleavage of caspases and PARP.

Cerebroside D, a glycoceramide compound, improves experimental colitis in mice with multiple targets against activated T lymphocytes

International Nuclear Information System (INIS)

Wu, Xue-Feng; Wu, Xing-Xin; Guo, Wen-Jie; Luo, Qiong; Gu, Yan-Hong; Shen, Yan; Tan, Ren-Xiang; Sun, Yang; Xu, Qiang

2012-01-01

In the present paper, we aimed to examine the novel effects of cerebroside D, a glycoceramide compound, on murine experimental colitis. Cerebroside D significantly reduced the weight loss, mortality rate and alleviated the macroscopic and microscopic appearances of colitis induced by dexran sulfate sodium. This compound also decreased the levels of TNF-α, IFN-γ and IL-1β in intestinal tissue of mice with experimental colitis in a concentration-dependent manner, accompanied with markedly increased serum level of IL-10. Cerebroside D inhibited proliferation and induced apoptosis of T cells activated by concanavalin A or anti-CD3 plus anti-CD28 antibodies. The compound did not show an effect on naive lymphocytes but prevented cells from entering S phase and G2/M phase during T cells activation. Moreover, the treatment of cerebroside D led to apoptosis of activated T cells with the cleavage of caspase 3, 9, 12 and PARP. These results showed multiple effects of cerebroside D against activated T cells for a novel approach to treatment of colonic inflammation. Highlights: ► Cerebroside D, a glycoceramide compound, alleviated DSS induced colitis. ► The mechanism of the compound involved multiple effects against activated T cells. ► It regulated cytokine profiles in mice with experimental colitis. ► It prevented T cells from entering S and G2/M phases during activation. ► It led to apoptosis of activated T cells with the cleavage of caspases and PARP.

A screening method for cardiovascular active compounds in marine algae.

Science.gov (United States)

Agatonovic-Kustrin, S; Kustrin, E; Angove, M J; Morton, D W

2018-05-18

The interaction of bioactive compounds from ethanolic extracts of selected marine algae samples, separated on chromatographic plates, with nitric/nitrous acid was investigated. The nature of bioactive compounds in the marine algae extracts was characterised using UV absorption spectra before and after reaction with diluted nitric acid, and from the characteristic colour reaction after derivatization with anisaldehyde. It was found that diterpenes from Dictyota dichotoma, an edible brown algae, and sterols from green algae Caulerpa brachypus, bind nitric oxide and may act as a nitric oxide carrier. Although the carotenoid fucoxanthin, found in all brown marine algae also binds nitric oxide, the bonds between nitrogen and the fucoxanthin molecule are much stronger. Further studies are required to evaluate the effects of diterpenes from Dictyota dichotoma and sterols from green algae Caulerpa brachypus to see if they have beneficial cardiovascular effects. The method reported here should prove useful in screening large numbers of algae species for compounds with cardiovascular activity. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthesis and characterization of new optically active poly(amide ...

African Journals Online (AJOL)

Synthesis and characterization of new optically active poly(amide-imide)s based on N -trimellitimido- ... Bulletin of the Chemical Society of Ethiopia ... (DMAc), dimethyl sulfoxide (DMSO) and N-methyl-2-pyrrolidone (NMP) at room temperature.

Antibacterial activity of sphagnum acid and other phenolic compounds found in Sphagnum papillosum against food-borne bacteria.

Science.gov (United States)

Mellegård, H; Stalheim, T; Hormazabal, V; Granum, P E; Hardy, S P

2009-07-01

To identify the phenolic compounds in the leaves of Sphagnum papillosum and examine their antibacterial activity at pH appropriate for the undissociated forms. Bacterial counts of overnight cultures showed that whilst growth of Staphylococcus aureus 50084 was impaired in the presence of milled leaves, the phenol-free fraction of holocellulose of S. papillosum had no bacteriostatic effect. Liquid chromatography-mass spectrometry analysis of an acetone-methanol extract of the leaves detected eight phenolic compounds. Antibacterial activity of the four dominating phenols specific to Sphagnum leaves, when assessed in vitro as minimal inhibitory concentrations (MICs), were generally >2.5 mg ml(-1). MIC values of the Sphagnum-specific compound 'sphagnum acid' [p-hydroxy-beta-(carboxymethyl)-cinnamic acid] were >5 mg ml(-1). No synergistic or antagonistic effects of the four dominating phenols were detected in plate assays. Sphagnum-derived phenolics exhibit antibacterial activity in vitro only at concentrations far in excess of those found in the leaves. We have both identified the phenolic compounds in S. papillosum and assessed their antibacterial activity. Our data indicate that phenolic compounds in isolation are not potent antibacterial agents and we question their potency against food-borne pathogens.

A herbicide structure-activity analysis of the antimalarial lead compound MMV007978 against Arabidopsis thaliana.

Science.gov (United States)

Corral, Maxime G; Leroux, Julie; Tresch, Stefan; Newton, Trevor; Stubbs, Keith A; Mylne, Joshua S

2018-07-01

To fight herbicide-resistant weeds, new herbicides are needed; particularly ones with new modes of action. Building on the revelation that many antimalarial drugs are herbicidal, here we focus on the Medicines for Malaria Venture antimalarial lead compound MMV007978 that has herbicidal activity against the model plant Arabidopsis thaliana. Twenty-two variations of the lead compound thiophenyl motif revealed that change was tolerated provided ring size and charge were retained. MMV007978 was active against select monocot and dicot weeds, and physiological profiling indicated that its mode of action is related to germination and cell division. Of interest is the fact that the compound has a profile that is currently not found among known herbicides. We demonstrate that the antimalarial compound MMV007978 is also herbicidal and that exploiting lead compounds that are often understudied could lead to the identification of interesting herbicidal scaffolds. Further structural investigation of MMV007978 could provide improved herbicidal chemistries with a potential new mode of action. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Bioassay Guided Isolation of Active Compounds from Alchemilla barbatiflora Juz.

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Gülin Renda

2018-01-01

Full Text Available The aerial parts of Alchemilla L. species (Rosaceae are used internally as diuretic, laxative, tonic and externally for wound healing in Turkish folk medicine. Antioxidant effects of the extracts, fractions and isolated compounds from the aerial parts of A. barbatiflora Juz. were investigated with following methods: 1,1-diphenyl-2-picryl-hydrazyl (DPPH, and superoxide radical scavenging (SOD, phosphomolibdenum-reducing antioxidant power (PRAP, ferric-reducing antioxidant power (FRAP assays. In addition, tyrosinase, α-glucosidase and acetylcholinesterase inhibition activities of samples were analyzed. The methanol extract from the aerial parts of plant was consecutively fractionated into four subextracts; n-hexane, chloroform, and remaining water extracts. Further studies were carried out on the most active water subextract and the fractions obtained from water subextract with column chromatography. Phytochemical studies on active fractions of the water subextract led to the isolation of seven metabolites including catechin (1 and a catechin dimer; procyanidin B3 (2, a flavonol glucuronide; quercetin-3-O- β-D-glucuronic acid (miquelianin (3 with flavonoid glycosides; quercetin-3-O- β-D-galactoside (hyperoside (4, quercetin-3-O- β-D-arabinoside (guaiaverin (5, kaempferol-3-O-β-D-xylopyranoside (6 and kaempferol-3-O -(6″-coumaroyl-β-D-glycoside (tiliroside (7. Their structures were elucidated by spectral techniques (1D and 2D NMR. The experimental data verified that procyanidin B3 displayed remarkable enzyme inhibitory activity among the whole isolated compounds.

Superior bactericidal activity of N-bromine compounds compared to their N-chlorine analogues can be reversed under protein load.

Science.gov (United States)

Gottardi, W; Klotz, S; Nagl, M

2014-06-01

To investigate and compare the bactericidal activity (BA) of active bromine and chlorine compounds in the absence and presence of protein load. Quantitative killing tests against Escherichia coli and Staphylococcus aureus were performed both in the absence and in the presence of peptone with pairs of isosteric active chlorine and bromine compounds: hypochlorous and hypobromous acid (HOCl and HOBr), dichloro- and dibromoisocyanuric acid, chlorantine and bromantine (1,3-dibromo- and 1,3 dichloro-5,5-dimethylhydantoine), chloramine T and bromamine T (N-chloro- and N-bromo-4-methylbenzenesulphonamide sodium), and N-chloro- and N-bromotaurine sodium. To classify the bactericidal activities on a quantitative basis, an empirical coefficient named specific bactericidal activity (SBA), founded on the parameters of killing curves, was defined: SBA= mean log reductions/(mean exposure times x concentration) [mmol 1(-1) min (-1)]. In the absence of peptone, tests with washed micro-organisms revealed a throughout higher BA of bromine compounds with only slight differences between single substances. This was in contrast to chlorine compounds, whose killing times differed by a factor of more than four decimal powers. As a consequence, also the isosteric pairs showed according differences. In the presence of peptone, however, bromine compounds showed an increased loss of BA, which partly caused a reversal of efficacy within isosteric pairs. In medical practice, weakly oxidizing active chlorine compounds like chloramines have the highest potential as topical anti-infectives in the presence of proteinaceous material (mucous membranes, open wounds). Active bromine compounds, on the other hand, have their chance at insensitive body regions with low organic matter, for example skin surfaces. The expected protein load is one of the most important parameters for selection of a suited active halogen compound. © 2014 The Society for Applied Microbiology.

Influence of Technological Processes on Biologically Active Compounds of Produced Grapes Juices

Czech Academy of Sciences Publication Activity Database

Tříska, Jan; Balík, J.; Strohalm, J.; Novotná, P.; Vrchotová, Naděžda; Lefnerová, D.; Landfeld, A.; Híc, P.; Tománková, E.; Veverka, J.; Houška, M.

2016-01-01

Roč. 9, č. 3 (2016), s. 421-429 ISSN 1935-5130 R&D Projects: GA MŠk(CZ) LO1415; GA MZe QJ1210258; GA MZe QI91B094 Institutional support: RVO:67179843 Keywords : Grapevine juices * Thermomaceration * Biologically active compounds * Antioxidative capacity * Total polyphenols * Antimutagenic activity Subject RIV: GM - Food Processing Impact factor: 2.576, year: 2016

Activity-Guided Isolation of Antioxidant Compounds from Rhizophora apiculata

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Hongbin Xiao

2012-09-01

Full Text Available Rhizophora apiculata (R. apiculata contains an abundance of biologically active compounds due its special salt-tolerant living surroundings. In this study, the total phenolic content and antioxidant activities of various extract and fractions of stem of R. apiculata were investigated. Results indicated that butanol fraction possesses the highest total phenolic content (181.84 mg/g GAE/g dry extract with strongest antioxidant abilities. Following in vitro antioxidant activity-guided phytochemical separation procedures, lyoniresinol-3α-O-β-arabinopyranoside (1, lyoniresinol-3α-O-β-rhamnoside (2, and afzelechin-3-O-L-rhamno-pyranoside (3 were separated from the butanol fraction. These compounds showed more noticeable antioxidant activity than a BHT standard in the DPPH, ABTS and hydroxyl radical scavenging assays. HPLC analysis results showed that among different plant parts, the highest content of 1–3 was located in the bark (0.068%, 0.066% and 0.011%, respectively. The results imply that the R. apiculata might be a potential source of natural antioxidants and 1–3 are antioxidant ingredients in R. apiculata.

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

Science.gov (United States)

Mubarak, A. A.; Al-Omari, Saleh

2015-05-01

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF3 and RbNiF3. The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF3 compound has a half-metallic behavior while the RbNiF3 compound has a semiconductor behavior with indirect (M-Γ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra.

Optical Design of COATLI: A Diffraction-Limited Visible Imager with Fast Guiding and Active Optics Correction

Science.gov (United States)

Fuentes-Fernández, J.; Cuevas, S.; Watson, A. M.

2018-04-01

We present the optical design of COATLI, a two channel visible imager for a comercial 50 cm robotic telescope. COATLI will deliver diffraction-limited images (approximately 0.3 arcsec FWHM) in the riz bands, inside a 4.2 arcmin field, and seeing limited images (approximately 0.6 arcsec FWHM) in the B and g bands, inside a 5 arcmin field, by means of a tip-tilt mirror for fast guiding, and a deformable mirror for active optics, both located on two optically transferred pupil planes. The optical design is based on two collimator-camera systems plus a pupil transfer relay, using achromatic doublets of CaF2 and S-FTM16 and one triplet of N-BK7 and CaF2. We discuss the effciency, tolerancing, thermal behavior and ghosts. COATLI will be installed at the Observatorio Astronómico Nacional in Sierra San Pedro Mártir, Baja California, Mexico, in 2018.

Synthesis, crystal structure and biological activity of a novel 1,2,3-thidiazole compound

International Nuclear Information System (INIS)

Ke, W.

2013-01-01

A new 1,2,3-thiadiazole compound was synthesized and characterized by 1H NMR, MS and HRMS. The crystal structure of the title compound (C/sub 12/H/sub 11/ClN/sub 2/O/sub 4/S/sub 2/, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) A, b = 8.9801(18) A, c = 9.859(2) A, alpha = 84.36(3) degree, beta = 86.71(3)degree, lambda = 83.25(3) degree, V = 737.9(3)A3, Z 2, F(000) = 356, Dc = 1.561 g/cm/sup 3/, mu = 0.557 mm-1, the final R1 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2sigma(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris. (author)

Antileishmanial, antimalarial and antimicrobial activities of the extract and isolated compounds from Austroplenckia populnea (Celastraceae).

Science.gov (United States)

Andrade, Sérgio F; da Silva Filho, Ademar A; de O Resende, Dimas; Silva, Márcio L A; Cunha, Wilson R; Nanayakkara, N P Dhammika; Bastos, Jairo Kenupp

2008-01-01

Austroplenckia populnea (Celastraceae), known as "marmelinho do campo", is used in Brazilian folk medicine as antimicrobial, anti-inflammatory, and antitumoural agent. The aim of the present work was to evaluate the antimicrobial, antileishmanial and antimalarial activities of the crude hydroalcoholic extract of A. populnea (CHE) and some of its isolated compounds. The phytochemical study of the CHE was carried out affording the isolation of methyl populnoate (1), populnoic acid (2), and stigmast-5-en-3-O-beta-(D-glucopyranoside) (3). This is the first time that the presence of compound 3 in A. populnea is reported. The results showed that the CHE presents antifungal and antibacterial activities, especially against Candida glabrata and Candida albicans, for which the CHE showed IC50 values of 0.7 microg mL(-1) and 5.5 microg mL(-1), respectively, while amphotericin B showed an IC50 value of 0.1 microg mL(-1) against both microorganisms. Compounds 1-3 were inactive against all tested microorganisms. In the antileishmanial activity test against Leishmania donovani, the CHE showed an IC50 value of 52 microg mL(-1), while compounds 2 and 3 displayed an IC50 value of 18 microg mL(-1) In the antimalarial assay against Plasmodium falciparum (D6 and W2 clones), it was observed that all evaluated samples were inactive. In order to compare the effect on the parasites with the toxicity to mammalian cells, the cytotoxicity activity of the isolated compounds was evaluated against Vero cells, showing that all evaluated samples exhibited no cytotoxicity at the maximum dose tested.

A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity

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Cleydson Breno R. Santos

2013-12-01

Full Text Available The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs and molecular docking were used to investigate the interaction between ligands and the receptor (heme. Principal component analysis and hierarchical cluster analysis were employed to select the most important descriptors related to activity. The correlation between biological activity and molecular properties was obtained using the partial least squares and principal component regression methods. The regression PLS and PCR models built in this study were also used to predict the antimalarial activity of 30 new artemisinin compounds with unknown activity. The models obtained showed not only statistical significance but also predictive ability. The significant molecular descriptors related to the compounds with antimalarial activity were the hydration energy (HE, the charge on the O11 oxygen atom (QO11, the torsion angle O1-O2-Fe-N2 (D2 and the maximum rate of R/Sanderson Electronegativity (RTe+. These variables led to a physical and structural explanation of the molecular properties that should be selected for when designing new ligands to be used as antimalarial agents.

Active learning in optics for girls

Science.gov (United States)

Ali, R.; Ashraf, I.

2017-08-01

Active learning in Optics (ALO) is a self-funded program under the umbrella of the Abdus Salam International Centre for Theoretical Physics (ICTP) and Quaid-i-Azam University (QAU) to bring physical sciences to traditionally underserved Girls high schools and colleges in Pakistan. There is a significant gender disparity in physical Sciences in Pakistan. In Department of Physics at QAU, approximately 10 to 20% of total students were used to be females from past many decades, but now this percentage is increasing. To keep it up at same pace, we started ALO in January 2016 as a way to provide girls an enriching science experiences, in a very friendly atmosphere. We have organized many one-day activities, to support and encourage girls' students of government high schools and colleges to pursue careers in sciences. In this presentation we will describe our experience and lesson learned in these activities.

Therapeutic Uses and Pharmacological Properties of Garlic, Shallot, and Their Biologically Active Compounds

Science.gov (United States)

Mikaili, Peyman; Maadirad, Surush; Moloudizargari, Milad; Aghajanshakeri, Shahin; Sarahroodi, Shadi

2013-01-01

Objective(s): Garlic (Allium sativum L. family Liliaceae) is well known in Iran and its leaves, flowers, and cloves have been used in traditional medicine for a long time. Research in recent decades has shown widespread pharmacological effects of A. sativum and its organosulfur compounds especially Allicin. Studies carried out on the chemical composition of the plant show that the most important constituents of this plant are organosulfur compounds such as allicin, diallyl disulphide, S-allylcysteine, and diallyl trisulfide. Allicin represents one of the most studied among these naturally occurring compounds. In addition to A. sativum, these compounds are also present in A. hirtifolium (shallot) and have been used to treat various diseases. This article reviews the pharmacological effects and traditional uses of A. sativum, A. hirtifolium, and their active constituents to show whether or not they can be further used as potential natural sources for the development of novel drugs. Materials and Methods: For this purpose, the authors went through a vast number of sources and articles and all needed data was gathered. The findings were reviewed and classified on the basis of relevance to the topic and a summary of all effects were reported as tables. Conclusion: Garlic and shallots are safe and rich sources of biologically active compounds with low toxicity. Further studies are needed to confirm the safety and quality of the plants to be used by clinicians as therapeutic agents. PMID:24379960

Punica granatum peel extracts: HPLC fractionation and LC MS analysis to quest compounds having activity against multidrug resistant bacteria.

Science.gov (United States)

Khan, Ilyas; Rahman, Hazir; Abd El-Salam, Nasser M; Tawab, Abdul; Hussain, Anwar; Khan, Taj Ali; Khan, Usman Ali; Qasim, Muhammad; Adnan, Muhammad; Azizullah, Azizullah; Murad, Waheed; Jalal, Abdullah; Muhammad, Noor; Ullah, Riaz

2017-05-03

Medicinal plants are rich source of traditional herbal medicine around the globe. Most of the plant's therapeutic properties are due to the presence of secondary bioactive compounds. The present study analyzed the High Pressure Liquid Chromatography (HPLC) fractions of Puncia granatum (peel) extracts (aqueous, chloroform, ethanol and hexane) against multidrug resistant bacterial pathogens (Acinetobacter baumannii, Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus). All the fractions having antibacterial activity was processed for bioactive compounds identification using LC MS/MS analysis. Among total HPLC fractions (n = 30), 4 HPLC fractions of P. granatum (peel) showed potential activity against MDR pathogens. Fraction 1 (F1) and fraction 4 (F4) collected from aqueous extract showed maximum activity against P. aeruginosa. Fraction 2 (F2) of hexane showed antibacterial activity against three pathogens, while ethanol F4 exhibited antibacterial activity against A. baumannii. The active fractions were processed for LC MS/MS analysis to identify bioactive compounds. Valoneic acid dilactone (aqueous F1 and F4), Hexoside (ethanol F4) and Coumaric acid (hexane F2) were identified as bioactive compounds in HPLC fractions. Puncia granatum peel extracts HPLC fractions exhibited potential inhibitory activity against MDR bacterial human pathogens. Several bioactive compounds were identified from the HPLC fractions. Further characterization of these compounds may be helpful to conclude it as therapeutic lead molecules against MDR pathogens.

At-wavelength metrology of x-ray optics at Diamond Light Source

Science.gov (United States)

Wang, Hongchang; Berujon, Sebastien; Sutter, John; Alcock, Simon G.; Sawhney, Kawal

2014-09-01

Modern, third-generation synchrotron radiation sources provide coherent and extremely bright beams of X-ray radiation. The successful exploitation of such beams depends to a significant extent on imperfections and misalignment of the optics employed on the beamlines. This issue becomes even more critical with the increasing use of active optics, and the desire to achieve diffraction-limited and coherence-preserving X-ray beams. In recent years, significant progress has been made to improve optic testing and optimization techniques, especially those using X-rays for so-called atwavelength metrology. These in-situ and at-wavelength metrology methods can be used not only to optimize the performance of X-ray optics, but also to correct and minimize the collective distortions of upstream beamline optics, including monochromators, and transmission windows. An overview of at-wavelength metrology techniques implemented at Diamond Light Source is presented, including grating interferometry and X-ray near-field speckle based techniques. Representative examples of the application of these techniques are also given, including in-situ and atwavelength calibration and optimization of: active, piezo bimorph mirrors; Kirkpatrick-Baez (KB) mirrors; and refractive optics such as compound refractive lenses.

Direct Wafer Bonding and Its Application to Waveguide Optical Isolators

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Ryohei Takei

2012-05-01

Full Text Available This paper reviews the direct bonding technique focusing on the waveguide optical isolator application. A surface activated direct bonding technique is a powerful tool to realize a tight contact between dissimilar materials. This technique has the potential advantage that dissimilar materials are bonded at low temperature, which enables one to avoid the issue associated with the difference in thermal expansion. Using this technique, a magneto-optic garnet is successfully bonded on silicon, III-V compound semiconductors and LiNbO₃. As an application of this technique, waveguide optical isolators are investigated including an interferometric waveguide optical isolator and a semileaky waveguide optical isolator. The interferometric waveguide optical isolator that uses nonreciprocal phase shift is applicable to a variety of waveguide platforms. The low refractive index of buried oxide layer in a silicon-on-insulator (SOI waveguide enhances the magneto-optic phase shift, which contributes to the size reduction of the isolator. A semileaky waveguide optical isolator has the advantage of large fabrication-tolerance as well as a wide operation wavelength range.

Direct Wafer Bonding and Its Application to Waveguide Optical Isolators.

Science.gov (United States)

Mizumoto, Tetsuya; Shoji, Yuya; Takei, Ryohei

2012-05-24

This paper reviews the direct bonding technique focusing on the waveguide optical isolator application. A surface activated direct bonding technique is a powerful tool to realize a tight contact between dissimilar materials. This technique has the potential advantage that dissimilar materials are bonded at low temperature, which enables one to avoid the issue associated with the difference in thermal expansion. Using this technique, a magneto-optic garnet is successfully bonded on silicon, III-V compound semiconductors and LiNbO₃. As an application of this technique, waveguide optical isolators are investigated including an interferometric waveguide optical isolator and a semileaky waveguide optical isolator. The interferometric waveguide optical isolator that uses nonreciprocal phase shift is applicable to a variety of waveguide platforms. The low refractive index of buried oxide layer in a silicon-on-insulator (SOI) waveguide enhances the magneto-optic phase shift, which contributes to the size reduction of the isolator. A semileaky waveguide optical isolator has the advantage of large fabrication-tolerance as well as a wide operation wavelength range.

Characterization of key aroma-active compounds in lychee (Litchi chinensis Sonn.).

Science.gov (United States)

Feng, Shi; Huang, Mingyang; Crane, Jonathan Henry; Wang, Yu

2018-04-01

Volatile compounds in 'Sweetheart' lychee were examined using gas chromatography-olfactometry/mass spectrometry (GC-O/MS). Solvent assisted flavor evaporation (SAFE) technique was used to identify the aroma-active compounds in lychee. Further characterization of the most important odorants in 'Sweetheart' lychee was achieved using aroma extract dilution analysis (AEDA). Thirty-one key aroma-active odorants were identified in the flavor dilution (FD) factor range of 2-1024. Methional (cooked potato) and geraniol (sweet, floral) exhibited the highest FD factors of 1024 and 512, respectively, these were followed by furaneol (sweet, caramel), nerol (floral, sweet), dimethyl trisulfide (DMTS) (preserved vegetable, sulfury), linalool (floral), (E,Z)-2,6 nonadienal (cucumber) and nerolidol (metalic, sesame oil). Furthermore, the flavor profile of 'Sweetheart' lychee was described by sensory analysis. Floral, tropical fruit, peach/apricot and honey were scored with relatively high scores for each aroma attribute. The sweetness rating was the highest score among all the attributes. Copyright © 2017. Published by Elsevier B.V.

Evaluation of Antibacterial Activity and Total Phenol Compounds of Punica granatum Hydro-Alcoholic Extract

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Elahe Ahmadi

2016-12-01

Full Text Available Background & Objectives: Punica granatum is a non-productive form of a plant and is used for the treatment of diseases in traditional medicine. In this study, we evaluate the antibacterial activity and the total phenol compounds of Punica granatum. Materials & Methods: Disk and well diffusion methods and MIC were used to evaluate the antibacterial activity of hydro-alcoholic extract on S. aureus and E. coli compared to standard commercial antibiotic disks. Measurement of phenol compounds were performed by Seevers and Daly colorimetric methods (Folin-ciocalteu indicator. Results: 35 and 29 mm inhibition zones in S. aureus and 22 and 17 mm inhibition zones in E. coli were shown by disk and well diffusion method, respectively. Also, 7.8 mg/ml concentration of extract showed the MIC points for two bacteria. Phenol compound of extract was 233.15±5.1 mg/g of extraction. Conclusion: Antibacterial effect of Punica granatum compared to antibiotics indicates the strong activity against examined bacteria. Extensive antibacterial study of Punica granatum is suggested.

Volatile compounds of Lamiaceae exhibit a synergistic antibacterial activity with streptomycin

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Sthéfane G. Araújo

2014-12-01

Full Text Available Bacterial infections cause thousands of deaths in the world every year. In most cases, infections are more serious because the patient is already weakened, and often, the bacteria are already resistant to the antibiotics used. Counterparting this negative scenario, the interest in medicinal plants as an alternative to the synthetic antimicrobial drugs is blossoming worldwide. In the present work, we identified the volatile compounds of ethanol extracts of Melissa officinalis, Mentha sp., Ocimum basilicum, Plectranthus barbatus, and Rosmarinus officinalis by gas chromatography/mass spectrometry (GC/MS. Also was evaluated antimicrobial activity of ethanol extracts against 6 bacteria of clinical interest, and was tested the interaction of these extracts with a commercial antibiotic streptomycin. Phytol was a compound identified in all extracts by GC/MS, being majoritary component in Plectranthus barbatus and Rosmarinus officinalis. The Gram-positive bacteria were more sensitive to ethanol extracts, and Plectranthus barbatus and Rosmarinus officinalis were the most active extracts. Ethanol extracts exhibited a synergetic effect with streptomycin. These results encourage additional studies, in order to evaluate the possibilities of using ethanol extracts of Lamiaceae family as natural source for antibacterial activity.

Phenolic compounds and antioxidant activity in red fruits produced in organic farming

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Susana M. A. Soutinho

2014-01-01

Full Text Available In this work were studied three red fruits (raspberry, gooseberry and blueberry produced in organic mode, to evaluate the variations in the content of phenolic compounds and antioxidant capacity along maturation. The phenols were extracted from the fruits with two solvents (methanol and acetone and were quantified by the Folin-Ciocalteu method. The antioxidant activity was determined with two methods (HPPH and ABTS. Furthermore, HPLC was used to identify and quantify some phenolic compounds present in the fruits analyzed. The results showed that the total phenolic compounds in all fruits decreased along maturation, either in the methanol or acetone extracts (23 % and 20 % reduction, on average, for methanol and acetone extracts, respectively, although in methanol extracts the levels of phenolic compounds were always higher (0.54 and 0.21 mg GAE/g. The blueberry showed higher level of total phenolics in methanol extract (average 0.67 mg GAE/g, while in the acetone extract it was gooseberry (average 0.31 mg GAE/g. At the end of maturation, all fruits studied had similar values of antioxidant capacity as determined by DPPH method (0.52 mmol Trolox/g. For the ABTS method, blueberries showed higher values of antioxidant activity (6.01 mmol Trolox/g against 3.01 and 2.66 mmol Trolox/g, for raspberry and gooseberry, respectively. Furthermore, the HPLC analysis allowed to identify monomeric anthocyanins and phenolic acids in the three fruits studied.

A network-based multi-target computational estimation scheme for anticoagulant activities of compounds.

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Qian Li

Full Text Available BACKGROUND: Traditional virtual screening method pays more attention on predicted binding affinity between drug molecule and target related to a certain disease instead of phenotypic data of drug molecule against disease system, as is often less effective on discovery of the drug which is used to treat many types of complex diseases. Virtual screening against a complex disease by general network estimation has become feasible with the development of network biology and system biology. More effective methods of computational estimation for the whole efficacy of a compound in a complex disease system are needed, given the distinct weightiness of the different target in a biological process and the standpoint that partial inhibition of several targets can be more efficient than the complete inhibition of a single target. METHODOLOGY: We developed a novel approach by integrating the affinity predictions from multi-target docking studies with biological network efficiency analysis to estimate the anticoagulant activities of compounds. From results of network efficiency calculation for human clotting cascade, factor Xa and thrombin were identified as the two most fragile enzymes, while the catalytic reaction mediated by complex IXa:VIIIa and the formation of the complex VIIIa:IXa were recognized as the two most fragile biological matter in the human clotting cascade system. Furthermore, the method which combined network efficiency with molecular docking scores was applied to estimate the anticoagulant activities of a serial of argatroban intermediates and eight natural products respectively. The better correlation (r = 0.671 between the experimental data and the decrease of the network deficiency suggests that the approach could be a promising computational systems biology tool to aid identification of anticoagulant activities of compounds in drug discovery. CONCLUSIONS: This article proposes a network-based multi-target computational estimation

A network-based multi-target computational estimation scheme for anticoagulant activities of compounds.

Science.gov (United States)

Li, Qian; Li, Xudong; Li, Canghai; Chen, Lirong; Song, Jun; Tang, Yalin; Xu, Xiaojie

2011-03-22

Traditional virtual screening method pays more attention on predicted binding affinity between drug molecule and target related to a certain disease instead of phenotypic data of drug molecule against disease system, as is often less effective on discovery of the drug which is used to treat many types of complex diseases. Virtual screening against a complex disease by general network estimation has become feasible with the development of network biology and system biology. More effective methods of computational estimation for the whole efficacy of a compound in a complex disease system are needed, given the distinct weightiness of the different target in a biological process and the standpoint that partial inhibition of several targets can be more efficient than the complete inhibition of a single target. We developed a novel approach by integrating the affinity predictions from multi-target docking studies with biological network efficiency analysis to estimate the anticoagulant activities of compounds. From results of network efficiency calculation for human clotting cascade, factor Xa and thrombin were identified as the two most fragile enzymes, while the catalytic reaction mediated by complex IXa:VIIIa and the formation of the complex VIIIa:IXa were recognized as the two most fragile biological matter in the human clotting cascade system. Furthermore, the method which combined network efficiency with molecular docking scores was applied to estimate the anticoagulant activities of a serial of argatroban intermediates and eight natural products respectively. The better correlation (r = 0.671) between the experimental data and the decrease of the network deficiency suggests that the approach could be a promising computational systems biology tool to aid identification of anticoagulant activities of compounds in drug discovery. This article proposes a network-based multi-target computational estimation method for anticoagulant activities of compounds by

Infrared absorption in pseudobinary InSb1-xBix compounds

International Nuclear Information System (INIS)

El-Den, M.B.; Mina, N.K.; Samy, A.M.; El-Mously, M.K.

1988-08-01

The group III-V pseudobinary InSb 1-x Bi x compounds, with x = 0, 0.2 and 0.04, were prepared in thin ribbon forms (30 μ) by splat cooling in air. The optical absorption α(λ) was measured in the wavelength range from 4 to 15 μm. The optical energy gap E opt. , was calculated for the three compounds. A shift of the absorption edge towards longer wavelengths with increasing Bi content was observed. (author). 7 refs, 4 figs

Dextran solution optical activity in Tb (III) ion presence

International Nuclear Information System (INIS)

Vasconcellos, Sandra S.; Rodrigues, J.F.; Faljoni-Alario, A.

1984-01-01

Optical activity studies of aqueous solutions of dextrana in presence of Tb (III) or without it shows the complex with the hidroxyl groups of C 2 and C 3 of monomeric unit participation is formed. (L.M.J.) [pt

Synthesis and characterization of new optically active poly(amide

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Six new optically active poly(amide-imide)s (8a-f) were synthesized through the direct ... polyimides are widely used in the semiconductor and electronic packaging ... chiral polymers is of particular interest from the viewpoint of material science ...

Sexual Differences in Chemical Composition and Aroma-active Compounds of Essential Oil from Flower Buds of Eurya japonica.

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Miyazawa, Mitsuo; Usami, Atsushi; Tanaka, Takio; Tsuji, Kaoru; Takehara, Manami; Hori, Yuki

2016-01-01

This study was conducted to determine the composition of essential oil from buds of male and female Eurya japonica flowers and to determine the aroma-active compounds of this plant by gas chromatography-mass spectrometry (GC-MS), sensory evaluation, and odor activity values (OAV). The oils contained eighty-five compounds. We identified for the first time forty-four compounds in E. japonica. Through sensory evaluation, nineteen aroma-active compounds were identified by gas chromatography-olfactometry (GC-O). Because the chemical composition can affect the interaction between plants and herbivorous insects, our results suggest that essential oils from male and female flower buds of E. japonica differently affect herbivores. Sexual differences in essential oils deserve further investigations in this plant-insect system.

DNA-damaging activity of a cinnamate derivative and further compounds from Cinnamomum australe (Lauraceae)

International Nuclear Information System (INIS)

Carbonezi, Carlos Alberto; Lopes, Marcia Nasser; Silva, Dulce Helena Siqueira; Araujo, Angela Regina; Bolzani, Vanderlan da Silva; Young, Maria Claudia Marx; Silva, Marcelo Rogerio da

2004-01-01

The bioactive compound trans-3'-methylsulphonylallyl trans-cinnamate (1) along with the inactive iryelliptin (2) and (7R,8S,1'S)-Δ 8' -3',5'-dimethoxy-1',4'-dihydro-4'-oxo-7.0.2',8.1'-neolignan (3) were isolated from the leaves of Cinnamomum australe. The structures of these compounds were assigned by analysis of 1D and 2D NMR data and comparison with data registered in the literature for these compounds. The DNA-damaging activity of 1 is being described for the first time. (author)

Optical band-edge absorption of oxide compound SnO2

International Nuclear Information System (INIS)

Roman, L.S.; Valaski, R.; Canestraro, C.D.; Magalhaes, E.C.S.; Persson, C.; Ahuja, R.; Silva, E.F. da; Pepe, I.; Silva, A. Ferreira da

2006-01-01

Tin oxide (SnO 2 ) is an important oxide for efficient dielectrics, catalysis, sensor devices, electrodes and transparent conducting coating oxide technologies. SnO 2 thin film is widely used in glass applications due to its low infra-red heat emissivity. In this work, the SnO 2 electronic band-edge structure and optical properties are studied employing a first-principle and fully relativistic full-potential linearized augmented plane wave (FPLAPW) method within the local density approximation (LDA). The optical band-edge absorption α(ω) of intrinsic SnO 2 is investigated experimentally by transmission spectroscopy measurements and their roughness in the light of the atomic force microscopy (AFM) measurements. The sample films were prepared by spray pyrolysis deposition method onto glass substrate considering different thickness layers. We found for SnO 2 qualitatively good agreement of the calculated optical band-gap energy as well as the optical absorption with the experimental results

Integration of active and passive polymer optics

DEFF Research Database (Denmark)

Christiansen, Mads Brøkner; Schøler, Mikkel; Kristensen, Anders

2007-01-01

We demonstrate a wafer scale fabrication process for integration of active and passive polymer optics: Polymer DFB lasers and waveguides. Polymer dye DFB lasers are fabricated by combined nanoimprint and photolithography (CNP). The CNP fabrication relies on an UV transparent stamp with nm sized...... wavelength from temperature and refractive index changes in the surroundings is investigated, pointing towards the use of the described fabrication method for on-chip polymer sensor systems....

Cationic compounds with activity against multidrug-resistant bacteria: interest of a new compound compared with two older antiseptics, hexamidine and chlorhexidine.

Science.gov (United States)

Grare, M; Dibama, H Massimba; Lafosse, S; Ribon, A; Mourer, M; Regnouf-de-Vains, J-B; Finance, C; Duval, R E

2010-05-01

Use of antiseptics and disinfectants is essential in infection control practices in hospital and other healthcare settings. In this study, the in vitro activity of a new promising compound, para-guanidinoethylcalix[4]arene (Cx1), has been evaluated in comparison with hexamidine (HX) and chlorhexidine (CHX), two older cationic antiseptics. The MICs for 69 clinical isolates comprising methicillin-resistant Staphylococcus aureus, methicillin-sensitive S. aureus, coagulase-negative staphylococci (CoNS) (with or without mecA), vancomycin-resistant enterococci, Enterobacteriaceae producing various beta-lactamases and non-fermenting bacilli (Pseudomonas aeruginosa, Acinetobacter baumanii, Stenotrophomonas maltophilia) were determined. Cx1 showed similar activity against S. aureus, CoNS and Enterococcus spp., irrespective of the presence of mecA or van genes, or associated resistance genes, with very good activity against CoNS (MIC compound against all strains, with broad-spectrum and conserved activity against multidrug-resistant strains. HX showed a lower activity, essentially against Gram-positive strains. Consequently, the differences observed with respect to Cx1 suggest that they are certainly not the consequence of antibiotic resistance phenotypes, but rather the result of membrane composition modifications (e.g. of lipopolysaccharide), or of the presence of (activated) efflux-pumps. These results raise the possibility that Cx1 may be a potent new antibacterial agent of somewhat lower activity but significantly lower toxicity than CHX.

Optically-Induced Neuronal Activity Is Sufficient to Promote Functional Motor Axon Regeneration In Vivo.

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Patricia J Ward

Full Text Available Peripheral nerve injuries are common, and functional recovery is very poor. Beyond surgical repair of the nerve, there are currently no treatment options for these patients. In experimental models of nerve injury, interventions (such as exercise and electrical stimulation that increase neuronal activity of the injured neurons effectively enhance axon regeneration. Here, we utilized optogenetics to determine whether increased activity alone is sufficient to promote motor axon regeneration. In thy-1-ChR2/YFP transgenic mice in which a subset of motoneurons express the light-sensitive cation channel, channelrhodopsin (ChR2, we activated axons in the sciatic nerve using blue light immediately prior to transection and surgical repair of the sciatic nerve. At four weeks post-injury, direct muscle EMG responses evoked with both optical and electrical stimuli as well as the ratio of these optical/electrical evoked EMG responses were significantly greater in mice that received optical treatment. Thus, significantly more ChR2+ axons successfully re-innervated the gastrocnemius muscle in mice that received optical treatment. Sections of the gastrocnemius muscles were reacted with antibodies to Synaptic Vesicle Protein 2 (SV2 to quantify the number of re-occupied motor endplates. The number of SV2+ endplates was greater in mice that received optical treatment. The number of retrogradely-labeled motoneurons following intramuscular injection of cholera toxin subunit B (conjugated to Alexa Fluor 555 was greater in mice that received optical treatment. Thus, the acute (1 hour, one-time optical treatment resulted in robust, long-lasting effects compared to untreated animals as well as untreated axons (ChR2-. We conclude that neuronal activation is sufficient to promote motor axon regeneration, and this regenerative effect is specific to the activated neurons.

Aharonov-Bohm effect in optical activity

International Nuclear Information System (INIS)

Tan, C Z

2010-01-01

Optically active media have the helical and dissymmetric crystal structure, which constrains the motions of the electrons to a helical path under the influence of the incident electric field. The charge flow along the helices induces a magnetic field in the direction of the axis of helices. The helical structure hence acts as natural micro-solenoids for the electromagnetic waves passing through them. Optical rotation is related to the difference in the accumulative Aharonov-Bohm (AB) phase between the right- and the left-circularly polarized waves. The AB phase is proportional to the angular momentum of an electron moving around the micro-solenoid. Originally the AB phase is shown to be a continuous function of the magnetic flux. However, quantization of the geometrical angular momentum leads to the quantized AB phase. The rotatory power and the Verdet constant are proportional to the refractive index of the medium. The quantized current in the micro-solenoid is proportional to the Bohr magneton and inversely proportional to the area of the helices.

Insight into the structural, electronic, elastic and optical properties of the alkali hydride compounds, XH (X = Rb and Cs)

Science.gov (United States)

Jaradat, Raed; Abu-Jafar, Mohammed; Abdelraziq, Issam; Mousa, Ahmad; Ouahrani, Tarik; Khenata, Rabah

2018-04-01

The equilibrium structural parameters, electronic and optical properties of the alkali hydrides RbH and CsH compounds in rock-salt (RS) and cesium chloride (CsCl) structures have been studied using the full-potential linearized augmented plane-wave (FP-LAPW) method. Wu and Cohen generalized gradient approximation (WC-GGA) was used for the exchange-correlation potential to compute the equilibrium structural parameters, such as the lattice constant (a0), the bulk modulus (B) and bulk modulus first order pressure derivative (B'). In addition to the WC-GGA, the modified Becke Johnson (mBJ) scheme has been also used to overcome the underestimation of the band gap energies. RbH and CsH compounds are found to be semiconductors (wide energy-band gap) using the WC-GGA method, while they are insulators using the mBJ-GGA method. Elastic constants, mechanical and thermodynamic properties were obtained by using the IRelast package. RbH and CsH compounds at ambient pressure are mechanically stable in RS and CsCl structures; they satisfy the Born mechanical stability criteria. Elastic constants (Cij), bulk modulus (B), shear modulus (S) and Debye temperatures (θD) of RbH and CsH compounds decrease as the alkali radius increases. The RS structure of these compounds at ambient conditions is mechanically stronger than CsCl structure. RbH and CsH in RS and CsCl structures are suitable as dielectric compounds. The wide direct energy band gap for these compounds make them promising compounds for optoelectronic UV device applications. Both RbH and CsH have a wide absorption region, on the other hand RbH absorption is very huge compared to the CsH absorption, RbH is an excellent absorbent material, maximum absorption regions are located in the middle ultraviolet (MUV) region and far ultraviolet (FUV) region. The absorption coefficient α (w), imaginary part of the dielectric constant ɛ2(w) and the extinction coefficient k(w) vary in the same way. The present calculated results are in

Active optics: off axis aspherics generation for high contrast imaging

Science.gov (United States)

Hugot, E.; Laslandes, M.; Ferrari, M.; Vives, S.; Moindrot, S.; El Hadi, K.; Dohlen, K.

2017-11-01

Active Optics methods, based on elasticity theory, allow the aspherisation of optical surfaces by stress polishing but also active aspherisation in situ. Researches in this field will impact the final performance and the final cost of any telescope or instrument. The stress polishing method is well suited for the superpolishing of aspheric components for astronomy. Its principle relies on spherical polishing with a full-sized tool of a warped substrate, which becomes aspherical once unwarped. The main advantage of this technique is the very high optical quality obtained either on form or on high spatial frequency errors. Furthermore, the roughness can be decreased down to a few angstroms, thanks the classical polishing with a large pitch tool, providing a substantial gain on the final scientific performance, for instance on the contrast on coronagraphic images, but also on the polishing time and cost. Stress polishing is based on elasticity theory, and requires an optimised deformation system able to provide the right aspherical form on the optical surface during polishing. The optical quality of the deformation is validated using extensive Finite Element Analysis, allowing an estimation of residuals and an optimisation of the warping harness. We describe here the work realised on stress polishing of toric mirrors for VLT-SPHERE and then our actual work on off axis aspherics (OAA) for the ASPIICS-Proba3 mission for solar coronagraphy. The ASPIICS optical design made by Vives et al is a three mirrors anastigmat including a concave off axis hyperboloid and a convex off axis parabola (OAP). We are developing a prototype in order to demonstrate the feasibility of this type of surface, using a multi-mode warping harness (Lemaitre et al). Furthermore, we present our work on variable OAP, meaning the possibility to adjust the shape of a simple OAP in situ with a minimal number of actuators, typically one actuator per optical mode (Focus, Coma and Astigmatism

Polarized excitons and optical activity in single-wall carbon nanotubes

Science.gov (United States)

Chang, Yao-Wen; Jin, Bih-Yaw

2018-05-01

The polarized excitons and optical activity of single-wall carbon nanotubes (SWNTs) are studied theoretically by π -electron Hamiltonian and helical-rotational symmetry. By taking advantage of the symmetrization, the single-particle energy and properties of a SWNT are characterized with the corresponding helical band structure. The dipole-moment matrix elements, magnetic-moment matrix elements, and the selection rules can also be derived. Based on different selection rules, the optical transitions can be assigned as the parallel-polarized, left-handed circularly-polarized, and right-handed circularly-polarized transitions, where the combination of the last two gives the cross-polarized transition. The absorption and circular dichroism (CD) spectra are simulated by exciton calculation. The calculated results are well comparable with the reported measurements. Built on the foundation, magnetic-field effects on the polarized excitons and optical activity of SWNTs are studied. Dark-bright exciton splitting and interband Faraday effect in the CD spectrum of SWNTs under an axial magnetic field are predicted. The Faraday rotation dispersion can be analyzed according to the selection rules of circular polarizations and the helical band structure.

Pyrazole compound BPR1P0034 with potent and selective anti-influenza virus activity

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Yeh Jiann-Yih

2010-02-01

Full Text Available Abstract Background Influenza viruses are a major cause of morbidity and mortality around the world. More recently, a swine-origin influenza A (H1N1 virus that is spreading via human-to-human transmission has become a serious public concern. Although vaccination is the primary strategy for preventing infections, influenza antiviral drugs play an important role in a comprehensive approach to controlling illness and transmission. In addition, a search for influenza-inhibiting drugs is particularly important in the face of high rate of emergence of influenza strains resistant to several existing influenza antivirals. Methods We searched for novel anti-influenza inhibitors using a cell-based neutralization (inhibition of virus-induced cytopathic effect assay. After screening 20,800 randomly selected compounds from a library from ChemDiv, Inc., we found that BPR1P0034 has sub-micromolar antiviral activity. The compound was resynthesized in five steps by conventional chemical techniques. Lead optimization and a structure-activity analysis were used to improve potency. Time-of-addition assay was performed to target an event in the virus life cycle. Results The 50% effective inhibitory concentration (IC50 of BPR1P0034 was 0.42 ± 0.11 μM, when measured with a plaque reduction assay. Viral protein and RNA synthesis of A/WSN/33 (H1N1 was inhibited by BPR1P0034 and the virus-induced cytopathic effects were thus significantly reduced. BPR1P0034 exhibited broad inhibition spectrum for influenza viruses but showed no antiviral effect for enteroviruses and echovirus 9. In a time-of-addition assay, in which the compound was added at different stages along the viral replication cycle (such as at adsorption or after adsorption, its antiviral activity was more efficient in cells treated with the test compound between 0 and 2 h, right after viral infection, implying that an early step of viral replication might be the target of the compound. These results suggest

The content of sensory active compounds and flavour of several types of yogurts

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Eva Vítová

2010-01-01

Full Text Available The aim of this work was to identify and quantify several sensory active compounds in various types of yogurts using gas chromatography and simultaneously to judge their influence on flavour of yogurts using sensory analysis. In total 4 types of white and 10 types of flavoured yogurts (creamy and low-fat with various flavourings, produced in Dairy Valašské Meziříčí, Ltd., were analysed. The highest content of sensory active compounds (P < 0.05 was found in strawberry yogurts, with high amount of ethyl butyrate. Excepting ethanol no significant differences (P < 0.05 were found between low-fat and creamy varieties. The total content of sensory active compounds in white yogurts was significantly (P < 0.05 lower than in flavoured fruit types. The highest content was in low-fat and lowest in white bio yoghurts. Flavour of yogurts was evaluated sensorially using scale and ranking test. All creamy yogurt varieties were evaluated as significantly (P < 0.05 more tasty than low-fat ones. Similarly in case of white yogurts creamy yogurts were evaluated as the most tasty and low-fat ones as the worst. Bio yogurts were evaluated equally tasty as classic yogurts with the same fat content.

Anti-Alzheimer's disease activity of compounds from the root bark of Morus alba L.

Science.gov (United States)

Kuk, Eun Bi; Jo, A Ra; Oh, Seo In; Sohn, Hee Sook; Seong, Su Hui; Roy, Anupom; Choi, Jae Sue; Jung, Hyun Ah

2017-03-01

The inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and β-site amyloid precursor protein cleaving enzyme 1 (BACE1) plays important roles in prevention and treatment of Alzheimer's disease (AD). Among the individual parts of Morus alba L. including root bark, branches, leaves, and fruits, the root bark showed the most potent enzyme inhibitory activities. Therefore, the aim of this study was to evaluate the anti-AD activity of the M. alba root bark and its isolate compounds, including mulberrofuran G (1), albanol B (2), and kuwanon G (3) via inhibition of AChE, BChE, and BACE1. Compounds 1 and 2 showed strong AChE- and BChE-inhibitory activities; 1-3 showed significant BACE1 inhibitory activity. Based on the kinetic study with AChE and BChE, 2 and 3 showed noncompetitive-type inhibition; 1 showed mixed-type inhibition. Moreover, 1-3 showed mixed-type inhibition against BACE1. The molecular docking simulations of 1-3 demonstrated negative binding energies, indicating a high affinity to AChE and BACE1. The hydroxyl group of 1-3 formed hydrogen bond with the amino acid residues located at AChE and BACE1. Consequently, these results indicate that the root bark of M. alba and its active compounds might be promising candidates for preventive and therapeutic agents for AD.

Vibrational optical activity principles and applications

CERN Document Server

Nafie, Laurence A

2011-01-01

This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features:A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy.Serves as a guide on how to use it to carry out applications with relevant problem solving.Depth and breadth of the subject is presented in a logical, complete and progressive fashion. A

Immunomodulatory potencies of isolated compounds from Crataegus azarolus through their antioxidant activities.

Science.gov (United States)

Mustapha, Nadia; Mokdad-Bzéouich, Imèn; Sassi, Aicha; Abed, Besma; Ghedira, Kamel; Hennebelle, Thierry; Chekir-Ghedira, Leila

2016-06-01

The search of natural immunomodulatory agents has become an area of great interest in order to reduce damage to the human body. In this study, the immunomodulatory potential of Crataegus azarolus and its isolated hyperoside on mouse lymphocytes and macrophages in vitro was assessed. The effect of C. azarolus natural compounds on splenocytes proliferation, natural killer (NK) and cytotoxic T lymphocytes (CTL) activities, and on macrophage-mediated cytotoxicity were assessed by MTT test. Phagocytic activity and inhibition of nitric oxide (NO) release by macrophages were also evaluated. The antioxidant capacity of these products was evaluated by determining their cellular antioxidant activity (CAA) in splenocytes and macrophages. Depending on the concentrations, both ethyl acetate (EA) extract and hyperoside (Hyp) from C. azarolus affect macrophage functions by modulating their lysosomal enzyme activity and nitric oxide release. Whereas, the above-mentioned products significantly promote LPS and lectin-stimulated splenocyte proliferation, implying a potential activation of lymphocytes B and T enhancing humoral and cellular immune responses. Moreover, EA extract and Hyp could enhance the activity of NK and T lymphocytes cells, as well as the macrophages-mediated cytotoxicity against B16F10 cells. The anti-inflammatory activity was concomitant with the cellular antioxidant effect of the tested compounds against macrophages and splenocytes. Collectively, C. azarolus and its isolated hyperoside exhibited an immunomodulatory effect through their antioxidant activity. These findings suggest that C. azarolus should be explored as a novel potential immunomodulatory agent for the treatment of inflammatory diseases.

A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields

Science.gov (United States)

Tao, Zhiqiang; Wang, Xin; Wei, Yuan; Lv, Li; Wu, Deyin; Yang, Mingli

2017-02-01

Molecular structure, vibrational and electronic absorption spectra, chemical reactivity of energetic compound FOX-7, one of the most widely used explosives, were studied computationally in presence of an electrostatic field of 0.01-0.05 a.u. The Csbnd N bond, which usually triggers the decomposition of FOX-7, is shortened/elongated under a parallel/antiparallel field. The Csbnd N bond activation energy varies with the external electric field, decreasing remarkably with the field strength in regardless of the field direction. This is attributed to two aspects: the bond weakening by the field parallel to the Csbnd N bond and the stabilization effect on the transition-state structure by the field antiparallel to the bond. The variations in the structure and property of FOX-7 under the electric fields were further analyzed with its distributional polarizability, which is dependent on the charge transfer characteristics through the Csbnd N bond.

Inhibition of dehydrogenase activity in petroleum refinery wastewater bacteria by phenolic compounds

Directory of Open Access Journals (Sweden)

Gideon C. Okpokwasili

2010-04-01

Full Text Available The toxicity of phenol, 2-nitrophenol, 4-nitrophenol, 2,4-dinitrophenol, 2-chlorophenol, 4-chlorophenol, 4-bromophenol and 3,5-dimethylphenol on Pseudomonas, Bacillus and Escherichia species isolated from petroleum refinery wastewater was assessed via inhibition of dehydrogenase enzyme activity. At low concentrations, 2-nitrophenol, 2-chlorophenol, 4-chlorophenol, 4-bromophenol and 3,5-dimethylphenol stimulated dehydrogenase activity and at sufficient concentrations, phenolic compounds inhibited dehydrogenase activities. Generally, phenol is less toxic than substituted phenols. Estimations of the degree of inhibition/stimulation of dehydrogenase activities showed significant dose-dependent responses that are describable by logistic functions. The toxicity thresholds varied significantly (P < 0.05 among the bacterial strains and phenolic compounds. The median inhibitory concentrations (IC50s ranged from 4.118 ± 0.097 mg.L-1 for 4-nitrophenol against Pseudomonas sp. DAF1 to 1407.997 ± 7.091 mg.L-1 for phenol against Bacillus sp. DISK1. This study suggested that the organisms have moderate sensitivity to phenols and have the potential to be used as indicators for assessment of chemical toxicity. They could also be used as catalysts for degradation of phenols in effluents.

Revisiting polarimetry near the isotropic point of an optically active, non-enantiomorphous, molecular crystal.

Science.gov (United States)

Martin, Alexander T; Tan, Melissa; Nichols, Shane M; Timothy, Emily; Kahr, Bart

2018-07-01

Accurate polarimetric measurements of the optical activity of crystals along low symmetry directions are facilitated by isotropic points, frequencies where dispersion curves of eigenrays cross and the linear birefringence disappears. We report here the optical properties and structure of achiral, uniaxial (point group D 2d ) potassium trihydrogen di-(cis-4-cyclohexene-1,2-dicarboxylate) dihydrate, whose isotropic point was previously detected (S. A. Kim, C. Grieswatch, H. Küppers, Zeit. Krist. 1993; 208:219-222) and exploited for a singular measurement of optical activity normal to the optic axis. The crystal structure associated with the aforementioned study was never published. We report it here, confirming the space group assignment I 4¯c2, along with the frequency dependence of the fundamental optical properties and the constitutive tensors by fitting optical dispersion relations to measured Mueller matrix spectra. k-Space maps of circular birefringence and of the Mueller matrix near the isotropic wavelength are measured and simulated. The signs of optical rotation are correlated with the absolute crystallographic directions. © 2018 Wiley Periodicals, Inc.

Molecular structures of viruses from Raman optical activity

DEFF Research Database (Denmark)

Blanch, Ewan W.; Hecht, Lutz; Syme, Christopher D.

2002-01-01

A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity to chira......A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity...... (top component) of cowpea mosaic virus from those of the intact middle and bottom-upper components separated by means of a caesium chloride density gradient, the ROA spectrum of the viral RNA was obtained, which revealed that the RNA takes up an A-type single-stranded helical conformation...... and that the RNA conformations in the middle and bottom-upper components are very similar. This information is not available from the X-ray crystal structure of cowpea mosaic virus since no nucleic acid is visible....

Synthesis, reactions and biological activity of some new bis-heterocyclic ring compounds containing sulphur atom

Science.gov (United States)

2013-01-01

Background The derivatives of thieno[2,3-b]thiophene belong to a significant category of heterocyclic compounds, which have shown a wide spectrum of medical and industrial application. Results A new building block with two electrophilic center of thieno[2,3-b]thiophene derivatives 2 has been reported by one-pot reaction of diketone derivative 1 with Br2/AcOH in excellent yield. A variety of heteroaromatics having bis(1H-imidazo[1,2a] benzimidazole), bis(1H-imidazo[1,2-b][1,2,4]triazole)-3-methyl-4-phenylthieno[2,3-b]thiophene derivatives, dioxazolo-, dithiazolo-, and 1H-imidazolo-3-methyl-4-phenylthieno[2,3-b]thiophene derivatives as well pyrrolo, thiazolo -3-methyl-4-phenylthieno[2,3-b]thiophene derivatives have been designed, synthesized, characterized, and evaluated for their biological activity. Compounds 3–9 showed good bioassay result. These new derivatives were evaluated for anti-cancer activity against PC-3 cell lines, in vitro antioxidant potential and β-glucuronidase and α-glucosidase inhibitory activities. Compound 3 (IC50 = 56.26 ± 3.18 μM) showed a potent DPPH radical scavenging antioxidant activity and found to be more active than standard N-acetylcystein (IC50 = 105.9 ± 1.1 μM). Compounds 8a (IC50 = 13.2 ± 0.34 μM) and 8b (IC50 = 14.1 ± 0.28 μM) found as potent inhibitor of α-glucusidase several fold more active than the standard acarbose (IC50 = 841 ± 1.73 μM). Most promising results were obtained in β-glucuronidase enzyme inhibition assay. Compounds 5 (IC50 = 0.13 ± 0.019 μM), 6 (IC50 = 19.9 ± 0.285 μM), 8a (IC50 = 1.2 ± 0.0785 μM) and 9 (IC50 = 0.003 ± 0.09 μM) showed a potent inhibition of β-glucuronidase. Compound 9 was found to be several hundred fold more active than standard D-Saccharic acid 1,4-lactone (IC50 = 45.75 ± 2.16 μM). Conclusions Synthesis, characterization, and in vitro biological activity of a series of

Thin films of metal-organic compounds and metal nanoparticle

Indian Academy of Sciences (India)

Thin films of metal-organic compounds and metal nanoparticle-embedded polymers for nonlinear optical applications. S Philip Anthony Shatabdi Porel D ... Thin films based on two very different metal-organic systems are developed and some nonlinear optical applications are explored. A family of zinc complexes which ...

Comparative potential of black tea leaves waste to granular activated carbon in adsorption of endocrine disrupting compounds from aqueous solution

Directory of Open Access Journals (Sweden)

A.O. Ifelebuegu

2015-07-01

Full Text Available The adsorption properties and mechanics of selected endocrine disrupting compounds; 17 β-estradiol, 17 α – ethinylestradiol and bisphenol A on locally available black tea leaves waste and granular activated carbon were investigated. The results obtained indicated that the kinetics of adsorption were pH, adsorbent dose, contact time and temperature dependent with equilibrium being reached at 20 to 40 minutes for tea leaves waste and 40 to 60 minutes for granular activated compound. Maximum adsorption capacities of 3.46, 2.44 and 18.35 mg/g were achieved for tea leaves waste compared to granular activated compound capacities of 4.01, 2.97 and 16.26 mg/g for 17 β- estradiol, 17 α-ethinylestradiol and bisphenol A respectively. Tea leaves waste adsorption followed pseudo-first order kinetics while granular activated compound fitted better to the pseudo-second order kinetic model. The experimental isotherm data for both tea leaves waste and granular activated compound showed a good fit to the Langmuir, Freundlich and Temkin isotherm models with the Langmuir model showing the best fit. The thermodynamic and kinetic data for the adsorption indicated that the adsorption process for tea leaves waste was predominantly by physical adsorption while the granular activated compound adsorption was more chemical in nature. The results have demonstrated the potential of waste tea leaves for the adsorptive removal of endocrine disrupting compounds from water.

Dioxin-like activity of environmental compounds in human blood and environmental samples

DEFF Research Database (Denmark)

Long, Manhai; Bonefeld-Jørgensen, Eva Cecilie

2012-01-01

and humans. We found that some pesticides, plasticizers and phytoestrogens can activate the AhR, and the combined effect of compounds with no or weak AhR potency cannot be ignored. The significant DL-activity in the wastewater effluent indicates the treatment is not sufficient to prevent contamination...... of surface waters with dioxins. Our results from human studies suggest that the serum DL-activity reflect the complex mixture of persistent organic pollutants (POPs). Greenlandic Inuit had lower serum DL-activity level compared to Europeans, probably due to long distance from the dioxin sources and UV...

Chemical composition and antioxidant activity of phenolic compounds and essential oils from Calamintha nepeta L.

Science.gov (United States)

Khodja, Nabyla Khaled; Boulekbache, Lila; Chegdani, Fatima; Dahmani, Karima; Bennis, Faiza; Madani, Khodir

2018-05-24

Background Essential oils, infusion and decoction extracts of Calamintha nepeta L. were evaluated for their bioactive substances (polyphenols and essential oils) and antioxidant activities. Methods The amounts of phenolic compounds were determined by colorimetric assays and identified by high performance and liquid chromatography coupled with ultraviolet detector (HPLC-UV) method. The chemical composition of essential oils was determined by gas-chromatography coupled with mass spectrometry (GC/MS) method. For the evaluation of the antioxidant activity of essential oils and extracts, two different assays (reducing power and DPPH radical scavenging activity) were used. Results Infusion extract presented the highest phenolic content, followed by the decoction one, while the lowest amount was observed in essential oils. The amount of flavonoids of the decocted extract was higher than that of the infused one. The phenolic profile of C. nepeta infusion and decoction extracts revealed the presence of 28 and 13 peaks, respectively. Four phenolics compounds were identified in infusion (gallic acid (GA), rosmarinic acid (RA), caffeine (C) and caffeic acid (CA)) and two were identified in decoction (GA and RA). The chemical composition of essential oils revealed the presence of 29 compounds, accounting for the 99.7% of the total oils. Major compounds of essential oil (EO) were trans-menthone (50.06%) and pulegone (33.46%). Infusion and decoction extracts revealed an interesting antioxidant activity which correlates positively with their total phenolic contents. Conclusions These results showed that Calamintha nepeta could be considered as a valuable source of phenolics and essential oils with potent antioxidant activity.

Inhibition of dehydrogenase activity in petroleum refinery wastewater bacteria by phenolic compounds

OpenAIRE

Gideon C. Okpokwasili; Christian Okechukwu Nweke

2010-01-01

The toxicity of phenol, 2-nitrophenol, 4-nitrophenol, 2,4-dinitrophenol, 2-chlorophenol, 4-chlorophenol, 4-bromophenol and 3,5-dimethylphenol on Pseudomonas, Bacillus and Escherichia species isolated from petroleum refinery wastewater was assessed via inhibition of dehydrogenase enzyme activity. At low concentrations, 2-nitrophenol, 2-chlorophenol, 4-chlorophenol, 4-bromophenol and 3,5-dimethylphenol stimulated dehydrogenase activity and at sufficient concentrations, phenolic compounds inhibi...

Antibacterial and Cytotoxic Activity of Compounds Isolated from Flourensia oolepis

Directory of Open Access Journals (Sweden)

Mariana Belén Joray

2015-01-01

Full Text Available The antibacterial and cytotoxic effects of metabolites isolated from an antibacterial extract of Flourensia oolepis were evaluated. Bioguided fractionation led to five flavonoids, identified as 2′,4′-dihydroxychalcone (1, isoliquiritigenin (2, pinocembrin (3, 7-hydroxyflavanone (4, and 7,4′-dihydroxy-3′-methoxyflavanone (5. Compound 1 showed the highest antibacterial effect, with minimum inhibitory concentration (MIC values ranging from 31 to 62 and 62 to 250 μg/mL, against Gram-positive and Gram-negative bacteria, respectively. On further assays, the cytotoxic effect of compounds 1–5 was determined by MTT assay on acute lymphoblastic leukemia (ALL and chronic myeloid leukemia (CML cell lines including their multidrug resistant (MDR phenotypes. Compound 1 induced a remarkable cytotoxic activity toward ALL cells (IC50 = 6.6–9.9 μM and a lower effect against CML cells (IC50 = 27.5–30.0 μM. Flow cytometry was used to analyze cell cycle distribution and cell death by PI-labeled cells and by Annexin V/PI staining, respectively. Upon treatment, 1 induced cell cycle arrest in the G2/M phase accompanied by a strong induction of apoptosis. These results describe for the first time the antibacterial metabolites of F. oolepis extract, with 1 being the most effective. This chalcone also emerges as a selective cytotoxic agent against sensitive and resistant leukemic cells, highlighting its potential as a lead compound.

Anoxic degradation of nitrogenous heterocyclic compounds by activated sludge and their active sites.

Science.gov (United States)

Xu, Peng; Han, Hongjun; Zhuang, Haifeng; Hou, Baolin; Jia, Shengyong; Wang, Dexin; Li, Kun; Zhao, Qian

2015-05-01

The potential for degradation of five nitrogenous heterocyclic compounds (NHCs), i.e., imidazole, pyridine, indole, quinoline, and carbazole, was investigated under anoxic conditions with acclimated activated sludge. Results showed that NHCs with initial concentration of 50 mg/L could be completely degraded within 60 hr. The degradation of five NHCs was dependent upon the chemical structures with the following sequence: imidazole>pyridine>indole>quinoline>carbazole in terms of their degradation rates. Quantitative structure-biodegradability relationship studies of the five NHCs showed that the anoxic degradation rates were correlated well with highest occupied molecular orbital. Additionally, the active sites of NHCs identified by calculation were confirmed by analysis of intermediates using gas chromatography and mass spectrometry. Copyright © 2015. Published by Elsevier B.V.

Separation and Identification of Four New Compounds with Antibacterial Activity from Portulaca oleracea L.

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Xia Lei

2015-09-01

Full Text Available The Portulaca oleracea L. (P. oleracea has been used to treat bacillary dysentery for thousands of years in China. Pharmacology studies on P. oleracea have also showed its significant antibacterial effects on the enteropathogenic bacteria, which might reveal the treatment of P. oleracea in cases of bacillary dysentery to some extent. To date, however, the therapeutic basis of P. oleracea treating on bacillary dysentery remains unknown. We determined the antibacterial effective fraction of P. oleracea in a previous study. The current study, which is based on our previous study, was first designed to isolate, identify and screen antibacterial active constituents from P. oleracea. As a result, four new compounds (1–4, portulacerebroside B (1, portulacerebroside C (2, portulacerebroside D (3 and portulaceramide A (4 along with five known compounds (5–9 were isolated, and structures were established by their physico-chemical constants and spectroscopic analysis. The antibacterial activities against common enteropathogenic bacteria were evaluated for all compounds and the new compounds 1–4 showed significant antibacterial effect on enteropathogenic bacteria in vitro, which might contribute to revealing the treatment of P. oleracea in cases of bacillary dysentery.

Separation and Identification of Four New Compounds with Antibacterial Activity from Portulaca oleracea L.

Science.gov (United States)

Lei, Xia; Li, Jianmin; Liu, Bin; Zhang, Ning; Liu, Haiyang

2015-09-10

The Portulaca oleracea L. (P. oleracea) has been used to treat bacillary dysentery for thousands of years in China. Pharmacology studies on P. oleracea have also showed its significant antibacterial effects on the enteropathogenic bacteria, which might reveal the treatment of P. oleracea in cases of bacillary dysentery to some extent. To date, however, the therapeutic basis of P. oleracea treating on bacillary dysentery remains unknown. We determined the antibacterial effective fraction of P. oleracea in a previous study. The current study, which is based on our previous study, was first designed to isolate, identify and screen antibacterial active constituents from P. oleracea. As a result, four new compounds (1-4), portulacerebroside B (1), portulacerebroside C (2), portulacerebroside D (3) and portulaceramide A (4) along with five known compounds (5-9) were isolated, and structures were established by their physico-chemical constants and spectroscopic analysis. The antibacterial activities against common enteropathogenic bacteria were evaluated for all compounds and the new compounds 1-4 showed significant antibacterial effect on enteropathogenic bacteria in vitro, which might contribute to revealing the treatment of P. oleracea in cases of bacillary dysentery.

Synthesis, Antiproliferative, and Multidrug Resistance Reversal Activities of Heterocyclic α,β-Unsaturated Carbonyl Compounds.

Science.gov (United States)

Sun, Ju-Feng; Hou, Gui-Ge; Zhao, Feng; Cong, Wei; Li, Hong-Juan; Liu, Wen-Shuai; Wang, Chunhua

2016-10-01

A series of heterocyclic α,β-unsaturated carbonyl compounds (1a-1d, 2a-2d, 3a-3d, 4a-3d, and 5a-5d) with 1,5-diaryl-3-oxo-1,4-pentadienyl pharmacophore were synthesized for the development of anticancer and multidrug resistance reverting agents. The antiproliferative activities were tested against nine human cancer cell lines. Approximately 73% of the IC50 values were below 5 μm, while 35% of these figures were submicromolar, and compounds 3a-3d with 4-trifluoro methyl in the arylidene benzene rings were the most potent, since their IC50 values are between 0.06 and 3.09 μm against all cancer cell lines employed. Meanwhile, their multidrug resistance reversal properties and cellular uptake were further examined. The data displayed that all of these compounds could reverse multidrug resistance, particularly, compounds 3a and 4a demonstrated both potent multidrug resistance reverting properties and strong antiproliferative activities, which can be taken as leading molecules for further research of dual effect agents in tumor chemotherapy. © 2016 John Wiley & Sons A/S.

(Bio)hybrid materials based on optically active particles

Science.gov (United States)

Reitzig, Manuela; Härtling, Thomas; Opitz, Jörg

2014-03-01

In this contribution we provide an overview of current investigations on optically active particles (nanodiamonds, upconversion phospors) for biohybrid and sensing applications. Due to their outstanding properties nanodiamonds gain attention in various application elds such as microelectronics, optical monitoring, medicine, and biotechnology. Beyond the typical diamond properties such as high thermal conductivity and extreme hardness, the carbon surface and its various functional groups enable diverse chemical and biological surface functionalization. At Fraunhofer IKTS-MD we develop a customization of material surfaces via integration of chemically modi ed nanodiamonds at variable surfaces, e.g bone implants and pipelines. For the rst purpose, nanodiamonds are covalently modi ed at their surface with amino or phosphate functionalities that are known to increase adhesion to bone or titanium alloys. The second type of surface is approached via mechanical implementation into coatings. Besides nanodiamonds, we also investigate the properties of upconversion phosphors. In our contribution we show how upconversion phosphors are used to verify sterilization processes via a change of optical properties due to sterilizing electron beam exposure.

Identification of Major Phenolic Compounds from Nephelium lappaceum L. and Their Antioxidant Activities

Directory of Open Access Journals (Sweden)

Nuansri Rakariyatham

2010-03-01

Full Text Available Nephelium lappaceum is a tropical fruit whose peel possesses antioxidant properties. Experiments on the isolation and identification of the active constituents were conducted, and on their antioxidant activity using a lipid peroxidation inhibition assay. The methanolic extract of N. lappaceum peels exhibited strong antioxidant properties. Sephadex LH-20 chromatography was utilized in the isolation of each constituent and the antioxidant properties of each was studied. The isolated compounds were identified as ellagic acid (EA (1, corilagin (2 and geraniin (3. These compounds accounted for 69.3% of methanolic extract, with geraniin (56.8% as the major component, and exhibited much greater antioxidant activities than BHT in both lipid peroxidation (77-186 fold and DPPH• (42-87 fold assays. The results suggest that the isolated ellagitannins, as the principal components of rambutan peels, could be further utilized as both a medicine and in the food industry.

Identification of major phenolic compounds from Nephelium lappaceum L. and their antioxidant activities.

Science.gov (United States)

Thitilertdecha, Nont; Teerawutgulrag, Aphiwat; Kilburn, Jeremy D; Rakariyatham, Nuansri

2010-03-09

Nephelium lappaceum is a tropical fruit whose peel possesses antioxidant properties. Experiments on the isolation and identification of the active constituents were conducted, and on their antioxidant activity using a lipid peroxidation inhibition assay. The methanolic extract of N. lappaceum peels exhibited strong antioxidant properties. Sephadex LH-20 chromatography was utilized in the isolation of each constituent and the antioxidant properties of each was studied. The isolated compounds were identified as ellagic acid (EA) (1), corilagin (2) and geraniin (3). These compounds accounted for 69.3% of methanolic extract, with geraniin (56.8%) as the major component, and exhibited much greater antioxidant activities than BHT in both lipid peroxidation (77-186 fold) and DPPH* (42-87 fold) assays. The results suggest that the isolated ellagitannins, as the principal components of rambutan peels, could be further utilized as both a medicine and in the food industry.

Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

Energy Technology Data Exchange (ETDEWEB)

Geraldo, Daniela A., E-mail: daniela.geraldo@unab.cl [Universidad Andres Bello, Departamento de Ciencias Quimicas (Chile); Arancibia-Miranda, Nicolas [CEDENNA, Center for the Development of Nanoscience and Nanotechnology (Chile); Villagra, Nicolas A. [Universidad Andres Bello, Laboratorio de Microbiologia, Facultad de Ciencias Biologicas (Chile); Mora, Guido C. [Universidad Andres Bello, Unidad de Microbiologia, Facultad de Medicina (Chile); Arratia-Perez, Ramiro [Universidad Andres Bello, Departamento de Ciencias Quimicas (Chile)

2012-12-15

The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV-Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

International Nuclear Information System (INIS)

Geraldo, Daniela A.; Arancibia-Miranda, Nicolás; Villagra, Nicolás A.; Mora, Guido C.; Arratia-Perez, Ramiro

2012-01-01

The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV–Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

Science.gov (United States)

Geraldo, Daniela A.; Arancibia-Miranda, Nicolás; Villagra, Nicolás A.; Mora, Guido C.; Arratia-Perez, Ramiro

2012-12-01

The use of molecular conjugates of quantum dots (nanocrystalline fluorophores) for biological purposes have received much attention due to their improved biological activity. However, relatively, little is known about the synthesis and application of aluminosilicate nanotubes decorated with quantum dots (QDs) for imaging and treatment of pathogenic bacteria. This paper describes for a first time, the use of single-walled aluminosilicate nanotubes (SWNT) (imogolite) as a one-dimensional template for the in situ growth of mercaptopropionic acid-capped CdTe QDs. This new nanohybrid hydrogel was synthesized by a simple reaction pathway and their enhanced optical properties were monitored by fluorescence and UV-Vis spectroscopy, confirming that the use of these nanotubes favors the confinement effects of net CdTe QDs. In addition, studies of FT-IR spectroscopy and transmission electron microscopy confirmed the non-covalent functionalization of SWNT. Finally, the antimicrobial activity of SWNT coated with CdTe QDs toward three opportunistic multi-resistant pathogens such as Salmonella typhimurium, Acinetobacter baumannii, and Pseudomonas aeruginosa were tested. Growth inhibition tests were conducted by exposing growing bacteria to CdTe QDs/SWNT hybrid compound showing that the new nano-structured composite is a potential antimicrobial agent for heavy metal-resistant bacteria.

Characterization of aroma-active compounds in dry flower of Malva sylvestris L. by GC-MS-O analysis and OAV calculations.