New carbocyclic N(6)-substituted adenine and pyrimidine nucleoside analogues with a bicyclo[2.2.1]heptane fragment as sugar moiety; synthesis, antiviral, anticancer activity and X-ray crystallography.

PubMed

Tănase, Constantin I; Drăghici, Constantin; Cojocaru, Ana; Galochkina, Anastasia V; Orshanskaya, Jana R; Zarubaev, Vladimir V; Shova, Sergiu; Enache, Cristian; Maganu, Maria

2015-10-01

New nucleoside analogues with an optically active bicyclo[2.2.1]heptane skeleton as sugar moiety and 6-substituted adenine were synthesized by alkylation of 6-chloropurine intermediate. Thymine and uracil analogs were synthesized by building the pyrimidine ring on amine 1. X-ray crystallography confirmed an exo-coupling of the thymine to the ring and an L configuration of the nucleoside analogue. The library of compounds was tested for their inhibitory activity against influenza virus A∖California/07/09 (H1N1)pdm09 and coxsackievirus B4 in cell culture. Compounds 13a and 13d are the most promising for their antiviral activity against influenza, and compound 3c against coxsackievirus B4. Compounds 3b and 3g were tested for anticancer activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study

NASA Astrophysics Data System (ADS)

Mary, Y. Sheena; Alzoman, Nourah Z.; Menon, Vidya V.; Al-Abdullah, Ebtehal S.; El-Emam, Ali A.; Panicker, C. Yohannan; Temiz-Arpaci, Ozlem; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.

2017-01-01

The synthesis, FT-IR, FT-Raman and NMR spectral analysis of an antimicrobial active benzoxazole derivative, 5-[(4-methylphenyl)acetamido]-2-(4-tert-butylphenyl) benzoxazole (MPATB) is reported. The localization of HOMO, LUMO plots in the title compound over the title molecule shows the charge transfer in the molecular system through the conjugated paths.The electrophilic and nucleophilic sites are revealed from the molecular electrostatic potential map. The first hyperpolarizability of the title compound is greater than that of the standard nonlinear optical material urea and the title compound and its derivatives are good objects for further research in nonlinear optical analysis. Molecule sites prone to electrophilic attacks have been detected by calculation of average local ionization energies, while calculations of Fukui functions have provided additional information about the local reactivity properties. Bond dissociation energies have been calculated in order to investigate autoxidation possibilities of the title molecule, as well as to determine the weakest bonds and therefore the sites where process of degradation could start. Reactive properties with water have been investigated by molecular dynamics simulations and calculations of radial distribution functions. The compound possessed broad spectrum activity against all of the tested Gram-positive and Gram-negative bacteria and yeasts, their minimum inhibitory concentrations ranging between 8 and 128 μg/ml. The compound exhibited significant antifungal activity (64 μg/ml) against Candida krusei, at same potency with the compared standard drugs fluconazole. The docked title compound forms a stable complex with thymidylate synthase and got a binding affinity value of -8.5 kcal/mol and the title compound can be a lead compound for developing new anti-cancerous drug.

Using DFT Methods to Study Activators in Optical Materials

DOE PAGES

Du, Mao-Hua

2015-08-17

Density functional theory (DFT) calculations of various activators (ranging from transition metal ions, rare-earth ions, ns 2 ions, to self-trapped and dopant-bound excitons) in phosphors and scintillators are reviewed. As a single-particle ground-state theory, DFT calculations cannot reproduce the experimentally observed optical spectra, which involve transitions between multi-electronic states. However, DFT calculations can generally provide sufficiently accurate structural relaxation and distinguish different hybridization strengths between an activator and its ligands in different host compounds. This is important because the activator-ligand interaction often governs the trends in luminescence properties in phosphors and scintillators, and can be used to search for newmore » materials. DFT calculations of the electronic structure of the host compound and the positions of the activator levels relative to the host band edges in scintillators are also important for finding optimal host-activator combinations for high light yields and fast scintillation response. Mn 4+ activated red phosphors, scintillators activated by Ce 3+, Eu 2+, Tl +, and excitons are shown as examples of using DFT calculations in phosphor and scintillator research.« less

Detection device for high explosives

DOEpatents

Grey, A.E.; Partin, J.K.; Stone, M.L.; Von Wandruszka, R.M.; Reagen, W.K.; Ingram, J.C.; Lancaster, G.D.

1992-10-20

A portable fiber optic detector is described that senses the presence of specific target chemicals by electrostatically attracting the target chemical to an aromatic compound coating on an optical fiber. Attaching the target chemical to the coated fiber reduces the fluorescence so that a photon sensing detector records the reduced light level and activates an appropriate alarm or indicator. 5 figs.

Detection of Extraterrestrial Life. Method II- Optical Rotatory Dispersion

NASA Technical Reports Server (NTRS)

1963-01-01

The object of this study is to develop polarimetric methods to detect the presence of DNA (deoxyribonucleic acid) or its congeners in soil suspensions, and through these methods determine the existence of life (as known terrestrially) on other planets. The cotton region associated with optically active organic compounds is being used to detect and characterize the compounds above. An apparatus has been designed and assembled which can measure optical rotations in systems which strongly attenuate incident-polarized, monochromatic light. This instrument was used to measure the optical rotatory dispersion spectra of nucleosides, a polynucleotide, and proteins whose optical density at 260 microns approached 1.0. This work is discussed in the final report on Contract NASR-85, Detection of Extraterrestrial Life, Method II: Optical Rotatory Dispersion. Recent work in Melpar laboratories has reaffirmed these rotatory dispersion spectra. Based upon the analysis of the optical components associated with this apparatus, however, these measurements must be considered as qualitative rather than quantitative. The reason for this is discussed in greater detail subsequently in this report. In addition, an evaluation of the theoretical and instrumental aspects of making rotatory-dispersion measurements in the cotton region has resulted in a procedure for measuring optical rotation.

A Micro-Electrode Array device coupled to a laser-based system for the local stimulation of neurons by optical release of glutamate.

PubMed

Ghezzi, Diego; Menegon, Andrea; Pedrocchi, Alessandra; Valtorta, Flavia; Ferrigno, Giancarlo

2008-10-30

Optical stimulation is a promising approach to investigate the local dynamic responses of cultured neurons. In particular, flash photolysis of caged compounds offers the advantage of allowing the rapid change of concentration of either extracellular or intracellular molecules, such as neurotransmitters or second messengers, for the stimulation or modulation of neuronal activity. We describe here the use of an ultra-violet (UV) laser diode coupled to an optical fibre for the local activation of caged compounds combined with a Micro-Electrode Array (MEA) device. Local uncaging was achieved by UV irradiation through the optical fibre previously positioned by using a red laser diode. The size of the stimulation was determined using caged fluorescein, whereas its efficacy was tested by studying the effect of uncaging the neurotransmitter glutamate. Uncaged glutamate evoked neuronal responses that were recorded using either fluorescence measurements or electrophysiological recordings with MEAs, thus showing the ability of our system to induce local neuronal excitation. This method allows overcoming the limitations of the MEA system related to unfocused electrical stimulation and induction of electrical artefacts. In addition, the coupling of a UV laser diode to an optical fibre allows a precise local stimulation and a quick change of the stimulation point.

Field Evaluation of Anti-Biofouling Compounds on Optical Instrumentation

NASA Technical Reports Server (NTRS)

McLean, Scott; Schofield, Bryan; Zibordi, Giuseppe; Lewis, Marlon; Hooker, Stanford; Weidemann, Alan

1997-01-01

Biofouling has been a serious question in the stability of optical measurements in the ocean, particularly in moored and drifting buoy applications. Many investigators coat optical surfaces with various compounds to reduce the amount of fouling; to our knowledge, however, there are no objective, in-situ comparative testing of these compounds to evaluate their effectiveness with respect to optical stability relative to untreated controls. We have tested a wide range of compounds at in-situ locations in Halifax Harbour and in the Adriatic Sea on passive optical sensors. Compounds tested include a variety of TBT formulations, antifungal agents, and low-friction silicone-based compounds; time-scales of up to four months were evaluated. The results of these experiments are discussed.

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

PubMed

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.

Asymmetric adsorption by quartz - A model for the prebiotic origin of optical activity

NASA Technical Reports Server (NTRS)

Bonner, W. M.; Kavasmaneck, P. R.; Martin, F. S.; Flores, J. J.

1975-01-01

One mechanism previously proposed for the abiotic accumulation of molecules of one chirality in nature is asymmetric adsorption on the chiral surfaces of optically active quartz crystals. Earlier literature in this field is reviewed, with the conclusion that previous investigations of this phenomenon, using optical rotation criteria, have afforded ambiguous results. We now have studied the adsorption of radioactive D- and L-alanine on powdered d- and l-quartz, using change in radioactivity level as a criterion for both gross and differential adsorption, d-Quartz preferentially adsorbed D-alanine from anhydrous dimethyl-formamide solution, and l-quartz L-alanine. The differential adsorption varied between 1.0 and 1.8%. The implications of these observations are discussed from the viewpoint of early chemical evolution and the origin of optically active organic compounds in nature.

Substantially isotactic, linear, alternating copolymers of carbon monoxide and an olefin

DOEpatents

Sen, Ayusman; Jiang, Zhaozhong

1996-01-01

The compound, [Pd(Me-DUPHOS)(MeCN).sub.2 ](BF.sub.4).sub.2, [Me-DUPHOS: 1,2-bis(2,5-dimethylphospholano)benzene] is an effective catalyst for the highly enantioselective, alternating copolymerization of olefins, such as aliphatic .alpha.-olefins, with carbon monoxide to form optically active, isotactic polymers which can serve as excellent starting materials for the synthesis of other classes of chiral polymers. For example, the complete reduction of a propylene-carbon monoxide copolymer resulted in the formation of a novel, optically active poly(1,4-alcohol). Also, the previously described catalyst is a catalyst for the novel alternating isomerization cooligomerization of 2-butene with carbon monoxide to form optically active, isotactic poly(1,5-ketone)

Substantially isotactic, linear, alternating copolymers of carbon monoxide and an olefin

DOEpatents

Sen, A.; Jiang, Z.

1996-05-28

The compound, [Pd(Me-DUPHOS)(MeCN){sub 2}](BF{sub 4}){sub 2}, [Me-DUPHOS: 1,2-bis(2,5-dimethylphospholano)benzene] is an effective catalyst for the highly enantioselective, alternating copolymerization of olefins, such as aliphatic {alpha}-olefins, with carbon monoxide to form optically active, isotactic polymers which can serve as excellent starting materials for the synthesis of other classes of chiral polymers. For example, the complete reduction of a propylene-carbon monoxide copolymer resulted in the formation of a novel, optically active poly(1,4-alcohol). Also, the previously described catalyst is a catalyst for the novel alternating isomerization cooligomerization of 2-butene with carbon monoxide to form optically active, isotactic poly(1,5-ketone).

Fiber optic strain measurements using an optically-active polymer

NASA Astrophysics Data System (ADS)

Buckley, Leonard J.; Neumeister, Gary C.

1992-03-01

A study encompassing the use of an optically-active polymer as the strain-sensing medium in an organic matrix composite was performed. Several compounds were synthesized for use as the inner cladding material for silica fiber-optic cores. These materials include a diacetylene containing polyamide. It is possible to dynamically modify the optical properties of these materials through changes in applied strain or temperature. By doing so the characteristic absorption in the visible is reversibly shifted to a higher energy state. The polymer-coated fiber-optic cores were initially studied in epoxy resin. Additionally, one of the polyamide/diacetylene polymers was studied in a spin-fiber form consisting of 15 micron filaments assembled in multifilament tows. The most promising configuration and materials were then investigated further by embedding in graphite/epoxy composite laminates. In each case the shift in the visible absorption peak was monitored as a function of applied mechanical strain.

Organometallic complexes of bulky, optically active, C 3-symmetric tris(4 S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (To P*)

DOE PAGES

Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; ...

2015-07-16

A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (To P*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[To P*] (1). That compound is readily converted to the thallium complex Tl[To P*] (2) and to the acid derivative H[To P*] (3). Group 7 tricarbonyl complexes To P*M(CO) 3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO) 5 and Li[To P*] and are crystallographically characterized. The ν CO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with To P* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (Tomore » P). The reaction of H[To P*] and ZnEt 2 gives To P*ZnEt (6), while To P*ZnCl (7) is synthesized from Li[To P*] and ZnCl 2. The reaction of To P*ZnCl and KOtBu followed by addition of PhSiH 3 provides the zinc hydride complex To P*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

Organometallic complexes of bulky, optically active, C 3-symmetric tris(4 S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (To P*)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.

A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (To P*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[To P*] (1). That compound is readily converted to the thallium complex Tl[To P*] (2) and to the acid derivative H[To P*] (3). Group 7 tricarbonyl complexes To P*M(CO) 3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO) 5 and Li[To P*] and are crystallographically characterized. The ν CO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with To P* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (Tomore » P). The reaction of H[To P*] and ZnEt 2 gives To P*ZnEt (6), while To P*ZnCl (7) is synthesized from Li[To P*] and ZnCl 2. The reaction of To P*ZnCl and KOtBu followed by addition of PhSiH 3 provides the zinc hydride complex To P*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

Study of multi-channel optical system based on the compound eye

NASA Astrophysics Data System (ADS)

Zhao, Yu; Fu, Yuegang; Liu, Zhiying; Dong, Zhengchao

2014-09-01

As an important part of machine vision, compound eye optical systems have the characteristics of high resolution and large FOV. By applying the compound eye optical systems to target detection and recognition, the contradiction between large FOV and high resolution in the traditional single aperture optical systems could be solved effectively and also the parallel processing ability of the optical systems could be sufficiently shown. In this paper, the imaging features of the compound eye optical systems are analyzed. After discussing the relationship between the FOV in each subsystem and the contact ratio of the FOV in the whole system, a method to define the FOV of the subsystem is presented. And a compound eye optical system is designed, which is based on the large FOV synthesized of multi-channels. The compound eye optical system consists with a central optical system and array subsystem, in which the array subsystem is used to capture the target. The high resolution image of the target could be achieved by the central optical system. With the advantage of small volume, light weight and rapid response speed, the optical system could detect the objects which are in 3km and FOV of 60°without any scanning device. The objects in the central field 2w=5.1°could be imaged with high resolution so that the objects could be recognized.

Synthesis of Naphthyl-, Quinolin- and Anthracenyl Analogues of Clofibric Acid as PPARα Agonists.

PubMed

Giampietro, Letizia; Ammazzalorso, Alessandra; Bruno, Isabella; Carradori, Simone; De Filippis, Barbara; Fantacuzzi, Marialuigia; Giancristofaro, Antonella; Maccallini, Cristina; Amoroso, Rosa

2016-03-01

PPARα is a ligand activated transcription factor belonging to the nuclear receptor subfamily, involved in fatty acid metabolism in tissues with high oxidative rates such as muscle, heart and liver. PPARα activation is important in steatosis, inflammation and fibrosis in preclinical models of non-alcoholic fatty liver disease identifying a new potential therapeutic area. In this work, three series of clofibric acid analogues conjugated with naphthyl, quinolin, chloroquinolin and anthracenyl scaffolds were synthesized. In an effort to obtain new compounds active as PPARα agonists, these molecules were evaluated for PPARα transactivation activity. Naphthyl and quinolin derivatives showed a good activation of PPARα; noteworthy, optically active naphthyl derivatives activated PPARα better than corresponding parent compound. © 2015 John Wiley & Sons A/S.

Spectral investigations, DFT computations and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

NASA Astrophysics Data System (ADS)

Resmi, K. S.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Pakosińska-Parys, Magdalena; Alsenoy, C. Van

2015-10-01

The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of the title compound have been investigated experimentally and theoretically. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analysed using NBO analysis. The hyperpolarisability calculation reveals the present material has a reasonably good propensity for nonlinear optical activity. Due to the different potential biological activity of the title compound, molecular docking study is also reported and the compound might exhibit inhibitory activity against human M2 muscarinic acetylcholine receptor.

Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction

PubMed Central

Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu

2013-01-01

Summary Bicyclodihydrosiloles were readily prepared from optically active enyne compounds by a radical cascade reaction triggered by tris(trimethylsilyl)silane ((Me3Si)3SiH). The reaction was initiated by the addition of a silyl radical to an α,β-unsaturated ester, forming an α-carbonyl radical that underwent radical cyclization to a terminal alkyne unit. The resulting vinyl radical attacked the silicon atom in an SHi manner to give dihydrosilole. The reaction preferentially formed trans isomers of bicyclosiloles with an approximately 7:3 to 9:1 selectivity. PMID:23946827

Organoelement chemistry: promising growth areas and challenges

NASA Astrophysics Data System (ADS)

Abakumov, G. A.; Piskunov, A. V.; Cherkasov, V. K.; Fedushkin, I. L.; Ananikov, V. P.; Eremin, D. B.; Gordeev, E. G.; Beletskaya, I. P.; Averin, A. D.; Bochkarev, M. N.; Trifonov, A. A.; Dzhemilev, U. M.; D'yakonov, V. A.; Egorov, M. P.; Vereshchagin, A. N.; Syroeshkin, M. A.; Jouikov, V. V.; Muzafarov, A. M.; Anisimov, A. A.; Arzumanyan, A. V.; Kononevich, Yu N.; Temnikov, M. N.; Sinyashin, O. G.; Budnikova, Yu H.; Burilov, A. R.; Karasik, A. A.; Mironov, V. F.; Storozhenko, P. A.; Shcherbakova, G. I.; Trofimov, B. A.; Amosova, S. V.; Gusarova, N. K.; Potapov, V. A.; Shur, V. B.; Burlakov, V. V.; Bogdanov, V. S.; Andreev, M. V.

2018-05-01

The chemistry of organoelement compounds is now one of the most rapidly developing fields of research, regarding both fundamental science and solution of applied problems. This review covers a variety of classes of organoelement compounds, ranging from molecules with highly labile carbon–element bonds to compounds with stable bonds that form the basis of novel structural materials and demonstrates their role in scientific research and industrial production. The use of Grignard reagents in modern organic synthesis and application of catalytic cyclomagnesiation and cycloalumination reactions for the preparation of difficult-to-access metallacycles are considered. The electron transfer processes in redox-active derivatives of Group 14 elements and the role of radical ions in these processes are discussed. Considerable attention is paid to organometallic compounds, first of all, as catalysts; the dynamic nature of catalysis with these compounds is noted. Unusual strained metallacycles of high thermal stability, zirconacyclocumulenes, which also exhibit catalytic activity, are described. Complexes with redox-active ligands that substantially affect the reactivity of the metal centre and directly participate in reactions with various substrates as well as organometallic compounds of lanthanides are considered. Modern environmentally benign methods for the synthesis of organosilicon compounds and production of unique materials based on them are discussed. Particular Sections are devoted to organophosphorus compounds, including those exhibiting therapeutic properties and possessing unusual optical characteristics, and organic chalcogen compounds, which find use as ligands and biologically active molecules. The bibliography includes 1045 references.

Preparation of optically active (2RS,3SR)-2-amino-3-hydroxy-3-phenylpropanoic acid (threo-beta-phenylserine) via optical resolutions by replacing and preferential crystallization.

PubMed

Shiraiwa, Tadashi; Kawashima, Yuka; Ikaritani, Atsushi; Suganuma, Yumiko; Saijoh, Reiichi

2006-08-01

To obtain optically active threo-2-amino-3-hydroxy-3-phenylpropanoic acid (1) via optical resolutions by replacing and preferential crystallization, the racemic structure of (2RS,3SR)-1 hydrochloride [(2RS,3SR)-1.HCl] was examined based on the melting point, solubility, and infrared spectrum. (2RS,3SR)-1.HCl was indicated to exist as a conglomerate at room temperature, although it forms a racemic compound at the melting point. When, in optical resolution by replacing crystallization, L-phenylalanine methyl ester hydrochloride (L-2) was used as the optically active co-solute, (2R,3S)-1.HCl was preferentially crystallized from the supersaturated racemic solution; the use of D-2 as the co-solute afforded (2S,3R)-1.HCl with an optical purity of 95%. In addition, optical resolution by preferential crystallization was successfully achieved to give successively (2R,3S)- and (2S,3R)-1.HCl with optical purities of 90-92%. The (2R,3S)- and (2S,3R)-1.HCl purified by recrystallization from 1-propanol were treated with triethylamine in methanol to give optically pure (2R,3S)- and (2S,3R)-1.

Transaminases for the synthesis of enantiopure beta-amino acids

PubMed Central

2012-01-01

Optically pure β-amino acids constitute interesting building blocks for peptidomimetics and a great variety of pharmaceutically important compounds. Their efficient synthesis still poses a major challenge. Transaminases (also known as aminotransferases) possess a great potential for the synthesis of optically pure β-amino acids. These pyridoxal 5'-dependent enzymes catalyze the transfer of an amino group from a donor substrate to an acceptor, thus enabling the synthesis of a wide variety of chiral amines and amino acids. Transaminases can be applied either for the kinetic resolution of racemic compounds or the asymmetric synthesis starting from a prochiral substrate. This review gives an overview over microbial transaminases with activity towards β-amino acids and their substrate spectra. It also outlines current strategies for the screening of new biocatalysts. Particular emphasis is placed on activity assays which are applicable to high-throughput screening. PMID:22293122

Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach

NASA Astrophysics Data System (ADS)

Pegu, David; Deb, Jyotirmoy; Saha, Sandip Kumar; Paul, Manoj Kumar; Sarkar, Utpal

2018-05-01

In this work, we have synthesized new coumarin Schiff base molecule, viz., 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one and characterized its structural, electronic and spectroscopic properties experimentally and theoretically. The theoretical analysis of UV-visible absorption spectra reflects a red shift in the absorption maximum in comparison to the experimental results. Most of the vibrational assignments of infrared and Raman spectra predicted using density functional theory approach match well with the experimental findings. Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound. The large hyperpolarizability value of the compound concludes that the system exhibits significant nonlinear optical features and thus, points out their possibility in designing material with high nonlinear activity.

Structural, vibrational and theoretical studies of anilinium trichloroacetate: New hydrogen bonded molecular crystal with nonlinear optical properties

NASA Astrophysics Data System (ADS)

Tanak, H.; Pawlus, K.; Marchewka, M. K.; Pietraszko, A.

2014-01-01

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm-1 and 3600-80 cm-1 regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be deff = 0.70 deff (KDP).

Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.

PubMed

Tanak, H; Pawlus, K; Marchewka, M K; Pietraszko, A

2014-01-24

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm(-1) and 3600-80 cm(-1) regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be d(eff)=0.70 d(eff) (KDP). Copyright © 2013 Elsevier B.V. All rights reserved.

Synthesis of Photoresponsive Dual NIR Two-Photon Absorptive [60]Fullerene Triads and Tetrads

PubMed Central

Jeon, Seaho; Wang, Min; Tan, Loon-Seng; Cooper, Thomas; Hamblin, Michael R.; Chiang, Long Y.

2013-01-01

Broadband nonlinear optical (NLO) organic nanostructures exhibiting both ultrafast photoresponse and a large cross-section of two-photon absorption throughout a wide NIR spectrum may make them suitable for use as nonlinear biophotonic materials. We report here the synthesis and characterization of two C60-(antenna)x analogous compounds as branched triad C60(>DPAF-C18)(>CPAF-C2M) and tetrad C60(>DPAF-C18)(>CPAF-C2M)2 nanostructures. These compounds showed approximately equal extinction coefficients of optical absorption over 400–550 nm that corresponds to near-IR two-photon based excitation wavelengths at 780–1,100 nm. Accordingly, they may be utilized as potential precursor candidates to the active-core structures of photosensitizing nanodrugs for 2γ-PDT in the biological optical window of 800–1,050 nm. PMID:23941881

Acute Effect of Pore-Forming Clostridium perfringens ε-Toxin on Compound Action Potentials of Optic Nerve of Mouse.

PubMed

Cases, Mercè; Llobet, Artur; Terni, Beatrice; Gómez de Aranda, Inmaculada; Blanch, Marta; Doohan, Briain; Revill, Alexander; Brown, Angus M; Blasi, Juan; Solsona, Carles

2017-01-01

ε-Toxin is a pore forming toxin produced by Clostridium perfringens types B and D. It is synthesized as a less active prototoxin form that becomes fully active upon proteolytic activation. The toxin produces highly lethal enterotoxaemia in ruminants, has the ability to cross the blood-brain barrier (BBB) and specifically binds to myelinated fibers. We discovered that the toxin induced a release of ATP from isolated mice optic nerves, which are composed of myelinated fibers that are extended from the central nervous system. We also investigated the effect of the toxin on compound action potentials (CAPs) in isolated mice optic nerves. When nerves were stimulated at 100 Hz during 200 ms, the decrease of the amplitude and the area of the CAPs was attenuated in the presence of ε-toxin. The computational modelling of myelinated fibers of mouse optic nerve revealed that the experimental results can be mimicked by an increase of the conductance of myelin and agrees with the pore forming activity of the toxin which binds to myelin and could drill it by making pores. The intimate ultrastructure of myelin was not modified during the periods of time investigated. In summary, the acute action of the toxin produces a subtle functional impact on the propagation of the nerve action potential in myelinated fibers of the central nervous system with an eventual desynchronization of the information. These results may agree with the hypothesis that the toxin could be an environmental trigger of multiple sclerosis (MS).

Acute Effect of Pore-Forming Clostridium perfringens ε-Toxin on Compound Action Potentials of Optic Nerve of Mouse

PubMed Central

Terni, Beatrice; Gómez de Aranda, Inmaculada; Blanch, Marta; Brown, Angus M.

2017-01-01

ε-Toxin is a pore forming toxin produced by Clostridium perfringens types B and D. It is synthesized as a less active prototoxin form that becomes fully active upon proteolytic activation. The toxin produces highly lethal enterotoxaemia in ruminants, has the ability to cross the blood–brain barrier (BBB) and specifically binds to myelinated fibers. We discovered that the toxin induced a release of ATP from isolated mice optic nerves, which are composed of myelinated fibers that are extended from the central nervous system. We also investigated the effect of the toxin on compound action potentials (CAPs) in isolated mice optic nerves. When nerves were stimulated at 100 Hz during 200 ms, the decrease of the amplitude and the area of the CAPs was attenuated in the presence of ε-toxin. The computational modelling of myelinated fibers of mouse optic nerve revealed that the experimental results can be mimicked by an increase of the conductance of myelin and agrees with the pore forming activity of the toxin which binds to myelin and could drill it by making pores. The intimate ultrastructure of myelin was not modified during the periods of time investigated. In summary, the acute action of the toxin produces a subtle functional impact on the propagation of the nerve action potential in myelinated fibers of the central nervous system with an eventual desynchronization of the information. These results may agree with the hypothesis that the toxin could be an environmental trigger of multiple sclerosis (MS). PMID:28798954

Optical resolution by preferential crystallization of (RS)-2-benzoylamino-2-benzyl-3-hydroxypropanoic acid and its use in synthesizing optically active 2-amino-2-methyl-3-phenylpropanoic acid.

PubMed

Shiraiwa, Tadashi; Suzuki, Masahiro; Sakai, Yoshio; Nagasawa, Hisashi; Takatani, Kazuhiro; Noshi, Daisuke; Yamanashi, Kenji

2002-10-01

To synthesize optically active 2-amino-2-methyl-3-phenylpropanoic acid (1), (RS)-2-benzoylamino-2-benzyl-3-hydroxypropanoic acid [(RS)-2] was first optically resolved using cinchonidine as a resolving agent to yield optically pure (S)- and (R)-2 in yields of about 70%, based on half of the starting amount of (RS)-2. Next, the racemic structure of (RS)-2 was examined based on melting point, solubility, IR spectrum, and binary and ternary phase diagrams, with the aim of optical resolution by preferential crystallization of (RS)-2. Results indicated that the (RS)-2 exists as a conglomerate at room temperature, although it forms a racemic compound at the melting point. The optical resolution by preferential crystallization yielded (S)- and (R)-2 with optical purities of about 90%, which were fully purified by recrystallization. After O-tosylation of (S)- and (R)-2, reduction by zinc powder and sodium iodide gave (R)- and (S)-1, respectively.

Towards optical control of single blood platelet activation

NASA Astrophysics Data System (ADS)

Spiryova, Darya V.; Karmatskih, Oleg Yu.; Vorob'ev, Alexei Yu.; Moskalensky, Alexander E.

2018-04-01

Blood platelets play a pivotal role in blood coagulation and in other normal and pathological processes. The understanding of fundamental mechanisms underlying their functions is very important for diagnostics and treatment. Single-cell experiments are needed for this purpose, which are complicated by insufficient spatiotemporal precision of conventional activation protocols. We present an approach to trigger single platelet activation optically, without the need of reagent mixing. This is achieved using photolabile compound, which rapidly delivers epinephrine upon UV irradiation. We demonstrated the applicability of the technique to rapidly induce platelet activation for studying dynamics of activation. The presented method may give novel fundamental knowledge about platelet functions and facilitate current research of their ability to deliver drugs to tumors or vascular injury sites.

Cytotoxic and Anti-HIV Phenanthroindolizidine Alkaloids from Cryptocarya chinensis

PubMed Central

Wu, Tian-Shung; Su, Chung-Ren; Lee, Kuo-Hsiung

2013-01-01

Bioassay-guided fractionation of the cytotoxic ethanol extract of Cryptocarya chinensis has led to the isolation of 11 compounds, including two phenanthroindolizidine alkaloids [(−)-antofine (1) and dehydroantofine (2)], five pavine alkaloids (3–7), and four proaporphine alkaloids (8–11). The structures of the isolated compounds were determined by means of NMR spectroscopic methods, and supported by HRMS and optical rotation data. Compounds 1 and 2 showed cytotoxic activity against four cancer cell lines, L1210, P388, A549, and HCT-8, with 1 being the most potent against A549 and HCT-8 with EC50 values of 0.002 and 0.001 μg/mL, respectively. In addition, 2 is first reported to exhibit significant anti-HIV activity. PMID:22816292

Compound semiconductor optical waveguide switch

DOEpatents

Spahn, Olga B.; Sullivan, Charles T.; Garcia, Ernest J.

2003-06-10

An optical waveguide switch is disclosed which is formed from III-V compound semiconductors and which has a moveable optical waveguide with a cantilevered portion that can be bent laterally by an integral electrostatic actuator to route an optical signal (i.e. light) between the moveable optical waveguide and one of a plurality of fixed optical waveguides. A plurality of optical waveguide switches can be formed on a common substrate and interconnected to form an optical switching network.

Optical field dissipation in heterostructures for nanophotovoltaic devices

NASA Astrophysics Data System (ADS)

Villa-Angulo, Carlos; Sauceda-Carvajal, Daniel; Villa-Angulo, José R.; Villa-Angulo, Rafael

2016-10-01

In heterostructures for nanophotovoltaic (NPV) devices, a number of layers are concatenated in a multilayer configuration. In the analysis of a multilayer configuration, it is commonly assumed that the intensity of the optical field has an exponential decrease along the direction of propagation inside the structure. Effects such as reflections and interference are neglected. These neglected effects become especially important ones once the layer dimension reaches several nanometers. At this width regimen, quantum effects are present since layers are thin compared with the penetration depth and the wavelength of the incident light. Quantum effects influence photon absorption and affect the optical field dissipation that controls electron-hole pairs generation. Hence, dissipation of the optical field inside an NPV device is an important aspect to consider in studying and determining performance properties. We employed the one-dimensional optical transfer matrix theory and the quantum well theory to analyze the optical field dissipation in the active layer of heterostructures for NPV devices. Illumination of 100 mW·cm-2 air mass 1.5 global (AM 1.5G) standard was considered for the analysis. The study was extended to low-dimensional heterostructures of the binary compound CdS/CdSe/CdS, the ternary compound Ga0.9Al0.1As/GaAs/Ga0.9Al0.1As, and the quaternary compound In0.85Ga0.15As0.30P0.70/In0.7Ga0.3As0.6P0.4/In0.85Ga0.15As0.30P0.70.

Ring resonator optical modes in InGaN/GaN structures grown on micro-cone-patterned sapphire substrates

NASA Astrophysics Data System (ADS)

Kazanov, D. R.; Pozina, G.; Jmerik, V. N.; Shubina, T. V.

2018-03-01

Molecular beam epitaxy (MBE) of III-nitride compounds on specially prepared cone-shaped patterned substrates is being actively developed nowadays, especially for nanophotonic applications. This type of substrates enables the successful growth of hexagonal nanorods (NRs). The insertion of an active quantum-sized region of InGaN inside a GaN NR allows us to enhance the rate of optical transitions by coupling them with resonant optical modes in the NR. However, we have observed the enhancement of emission not only from the NR but also around the circumference region of the cone-shaped base. We have studied this specific feature and demonstrated its impact on the output signal.

Activation energies of diffusion of organic migrants in cyclo olefin polymer.

PubMed

Welle, Frank

2014-10-01

Cyclo olefin polymer (COP) is an amorphous polymer with good optical transparency and barrier properties, which is increasingly used for pharmaceutical packaging applications like pre-filled syringes, plastic vials, nutrition bags and blisters as well as for micro-well plates. For regulatory purposes, it is important to know the amount and quantity of compounds which migrate from the polymer into the pharmaceutical product. Within the study, diffusion coefficients of organic (model) compounds in COP at various temperatures were determined and the activation energies of diffusion were calculated according to the Arrhenius approach. Correlations were established between the molecular volume V of the migrating compound and the activation energy of diffusion EA as well as between the pre-exponential factor in the Arrhenius equation D0 and EA. From these correlations a prediction model was established for the migration of organic compounds in COP. This might be a useful tool supporting the evaluation process of COP packed pharmaceutical products. Copyright © 2014 Elsevier B.V. All rights reserved.

Growth, structural, thermal, dielectric and nonlinear optical properties of potassium hexachloro cadmate (IV) a novel single crystal

NASA Astrophysics Data System (ADS)

Umarani, P.; Jagannathan, K.

2018-02-01

The Potassium hexachloro cadmate (IV) (PHC) single crystal was grown from the aqueous of the solution by a controlled evaporation method. Single crystal XRD solved the structure. FTIR is used to identify the functional groups of grown crystal. The UV-Vis-NIR spectrometer was used to find out the UV cut off region and to calculate the optical band gap of the Potassium hexachloro cadmate (IV) single crystal. The EDAX spectrum has been used to identify the compounds present in title compound. The TG-DTA profile shows the thermal stability of the grown crystal of Potassium hexachloro cadmate (IV). The Vicker's hardness measurement was used to calculate the material hardness of the title compound. The dielectric loss and constant varied with frequencies and activation energy is also calculated. The solid state parameters like plasma energy, Penn gap, Fermi energy, electronic polarizability using Penn analysis and Clausius-Mossotti equation were also calculated for the title compound. The Z-scan technique is used to calculate the third order nonlinear susceptibility of a real and imaginary part.

New carbocyclic nucleoside analogues with a bicyclo[2.2.1]heptane fragment as sugar moiety; synthesis, X-ray crystallography and anticancer activity.

PubMed

Tănase, Constantin I; Drăghici, Constantin; Căproiu, Miron Teodor; Shova, Sergiu; Mathe, Christophe; Cocu, Florea G; Enache, Cristian; Maganu, Maria

2014-01-01

An amine group was synthesized starting from an optically active bicyclo[2.2.1]heptane compound, which was then used to build the 5 atoms ring of a key 6-chloropurine intermediate. This was then reacted with ammonia and selected amines obtaining new adenine- and 6-substituted adenine conformationally constrained carbocyclic nucleoside analogues with a bicyclo[2.2.1]heptane skeleton in the sugar moiety. X-ray crystallography confirmed an exo-coupling of base to the ring and a L configuration of the nucleoside analogues. The compounds were tested for anticancer activity. Copyright © 2013 Elsevier Ltd. All rights reserved.

Theoretical, spectroscopic and antioxidant activity studies on (E)-2-[(2-fluorophenylimino)methyl]-4-hydroxyphenol and (E)-2-[(3-fluorophenylimino)methyl]-4-hydroxyphenol compounds

NASA Astrophysics Data System (ADS)

Alaşalvar, Can; Güder, Aytaç; Gökçe, Halil; Albayrak Kaştaş, Çiğdem; Çatak Çelik, Raziye

2017-04-01

We studied synthesis and characterization of the title compounds by using X-ray crystallographic technique, FT-IR spectroscopy, UV-Vis spectroscopy and Density functional method. Optimized geometry, vibrational frequencies and UV-Vis parameters of the title compounds in the ground state have been calculated by using B3LYP with the 6-311G+ (d,p) basis set. HOMO - LUMO energy gap, Non-linear optical properties are performed at B3LYP/6-311G+(d,p) level. For determination of antioxidant properties of the title compounds (CMPD1 and CMPD2) have been investigated by using different methods, i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). In comparison with standard antioxidants (BHA, BHT, and α-tocopherol), CPMD1 and CMPD2 have influential FRAP, HPSA, FRSA and FICA.

Antiproliferative compounds of Artabotrys madagascariensis from the Madagascar rainforest†

PubMed Central

Murphy, Brian T.; Cao, Shugeng; Brodie, Peggy J.; Miller, James S.; Ratovoson, Fidy; Birkinshaw, Chris; Rakotobe, Etienne; Rasamison, Vincent E.; Tendyke, Karen; Suh, Edward M.; Kingston, David G. I.

2009-01-01

Bioassay-guided fractionation of an ethanol extract of Artabotrys madagascariensis led to the isolation of the new compound artabotrol A (1), two butenolides (2 and 3), and the tetracyclic triterpene polycarpol (4). Structure elucidation was determined on the basis of one and two-dimensional NMR, and absolute configuration of compounds 2–4 was verified by analysis of CD and optical rotation spectra. Two of the isolates, melodorinol (2) and acetylmelodorinol (3), were found to display antiproliferative activity against five different tumor cell lines with IC50 values ranging from 2.4 to 12 µM. PMID:18855218

Interaction of indole-papaverine with DNA in solutions of various ionic strength

NASA Astrophysics Data System (ADS)

Travkina, V. I.; Moroshkina, E. B.; Osinnikova, D. N.

2017-11-01

Interaction of synthetic alkaloid of isoquinoline series, which is an analogue of the biologically active compound papaverine, was studied by spectral, microcalorimetric, optical and hydrodynamic methods at different ionic strengths of medium. It was found that the investigated compound may interact with DNA in various ways depending on the ratio of ligand - DNA concentrations and ionic strength of solution (μ). When μ = 0.001, indole-papaverine intercalates into the double helix of DNA. The increase of μ resulted in a decrease of the affinity of the compound to DNA and a change its binding method.

Experimental and computational approaches of a novel methyl (2E)-2-{[N-(2-formylphenyl)(4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl)prop-2-enoate: A potential antimicrobial agent and an inhibition of penicillin-binding protein

NASA Astrophysics Data System (ADS)

Murugavel, S.; Vetri velan, V.; Kannan, Damodharan; Bakthadoss, Manickam

2016-07-01

The title compound methyl(2E)-2-{[N-(2-formylphenyl) (4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl) prop-2-enoate (MFMSC) has been synthesized and single crystals were grown by slow evaporation solution growth technique at room temperature. Structural and vibrational spectroscopic studies were carried out by using single crystal X-ray diffraction, FT-IR and NMR spectral analysis together with DFT method using GAUSSIAN'03 software. The detailed interpretation of the vibrational spectra has been carried out by VEDA program. NBO analysis, Mulliken charge analysis, HOMO-LUMO, MEP, Global chemical reactivity descriptors and thermodynamic properties have been analyzed. The hyperpolarisability calculation reveals the present material has a reasonably good propensity for nonlinear optical activity. The obtained antimicrobial activity results indicate that the compound shows good to moderate activity against all tested bacterial and fungal pathogens. A computational study was also carried out to predict the drug-likeness and ADMET properties of the title compound. Due to the different potential biological activity of the title compound, molecular docking study is also reported and the compound might exhibit inhibitory activity against penicillin-binding protein PBP-2X.

Enzymatic hydrolysis of esters containing a tetrazole ring.

PubMed

Łukowska-Chojnacka, Edyta; Mierzejewska, Jolanta

2014-12-01

The lipase-catalyzed enantioselective hydrolysis of acetates containing tetrazole moiety was studied. Among all tested lipases, Novozyme SP 435 allowed to obtain optically active 4-(5-aryl-2H-tetrazol-2yl)butan-2-ol and 1-(5-aryl-2H-tetrazol-2yl)-propan-2-ol and their acetates with the highest optical purities (ee = 95%-99%) and excellent enantioselectivity (E>100). Some of the synthesized tetrazole derivatives were screened for their antifungal activity. Racemic mixtures of 4-[5-(4-chlorophenyl)-2H-tetrazol-2-yl)butan-2-ol as well as pure enantiomers of this compound showed promising antifungal activity against F. sambucinum, F. oxysporum, C. coccodes, and A. niger. © 2014 Wiley Periodicals, Inc.

Optical properties of novel environmentally benign biologically active ferrocenyl substituted chromophores: A detailed insight via experimental and theoretical approach

NASA Astrophysics Data System (ADS)

Khan, Salman A.; Asiri, Abdullah M.; Al-Ghamdi, Najat Saeed M.; Zayed, Mohie E. M.; Sharma, Kamlesh; Parveen, Humaira

2017-07-01

Series of ferrocenyl substituted chromophores were synthesized via a reaction of acetyl ferrocene and a variety of aldehyde under microwave irradiation. The structure of synthesized compounds were established by spectroscopic (FT-IR, 1H NMR, 13C NMR, ESI-MS) and elemental analysis. UV-Vis and fluorescence spectroscopy measurements provided that all compounds have good absorbent and fluorescent properties. Fluorescence polarity studies demonstrated that these compounds were sensitive to the polarity of the microenvironment provided by different solvents. In addition, spectroscopic and physicochemical parameters, including singlet absorption, extinction coefficient, Stokes shift, oscillator strength and dipole moment, were investigated in order to explore the analytical potential of the synthesized compounds. The anti-bacterial activity of these compounds were first studied in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The minimum inhibitory concentration was then determined with the reference of standard drug chloramphenicol. The results displayed that compound 3 was better inhibitors for both types of the bacteria (Gram-positive and Gram-negative) than chloramphenicol. Based on the density functional theory; total energy, the atomic orbital contribution to frontier orbitals: LUMO and HOMO, of all synthesized compounds were calculated to support the antibacterial activities.

DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol

NASA Astrophysics Data System (ADS)

Temel, Ersin; Alaşalvar, Can; Gökçe, Halil; Güder, Aytaç; Albayrak, Çiğdem; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan; Dilek, Nefise

2015-02-01

We have reported synthesis and characterization of (E)-2-nitro-4-[(phenylimino)methyl]phenol by using X-ray crystallographic method, FT-IR and UV-vis spectroscopies and density functional theory (DFT). Optimized geometry and vibrational frequencies of the title compound in the ground state have been computed by using B3LYP with the 6-311G+(d,p) basis set. HOMO-LUMO energy gap, Non-linear optical properties and NBO analysis of the compound are performed at B3LYP/6-311G+(d,p) level. Additionally, as remarkable properties, antioxidant activity of the title compound (CMPD) has been determined by using different antioxidant test methods i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). When compared with standards (BHA, BHT, and α-tocopherol), we have concluded that CPMD has effective FRAP, HPSA, FRSA and FICA.

Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.

PubMed

Wong, Stella Y Y; Grant, Irene R; Friedman, Mendel; Elliott, Christopher T; Situ, Chen

2008-10-01

The antibacterial activities of 18 naturally occurring compounds (including essential oils and some of their isolated constituents, apple and green tea polyphenols, and other plant extracts) against three strains of Mycobacterium avium subsp. paratuberculosis (a bovine isolate [NCTC 8578], a raw-milk isolate [806R], and a human isolate [ATCC 43015]) were evaluated using a macrobroth susceptibility testing method. M. avium subsp. paratuberculosis was grown in 4 ml Middlebrook 7H9 broth containing 10% oleic acid-albumin-dextrose-catalase, 0.05% Tween 80 (or 0.2% glycerol), and 2 microg/ml mycobactin J supplemented with five concentrations of each test compound. The changes in the optical densities of the cultures at 600 nm as a measure of CFU were recorded at intervals over an incubation period of 42 days at 37 degrees C. Six of the compounds were found to inhibit the growth of M. avium subsp. paratuberculosis. The most effective compound was trans-cinnamaldehyde, with a MIC of 25.9 microg/ml, followed by cinnamon oil (26.2 microg/ml), oregano oil (68.2 microg/ml), carvacrol (72.2 microg/ml), 2,5-dihydroxybenzaldehyde (74 microg/ml), and 2-hydroxy-5-methoxybenzaldehyde (90.4 microg/ml). With the exception of carvacrol, a phenolic compound, three of the four most active compounds are aldehydes, suggesting that the structure of the phenolic group or the aldehyde group may be important to the antibacterial activity. No difference in compound activity was observed between the three M. avium subsp. paratuberculosis strains studied. Possible mechanisms of the antimicrobial effects are discussed.

Antibacterial Activities of Naturally Occurring Compounds against Mycobacterium avium subsp. paratuberculosis▿

PubMed Central

Wong, Stella Y. Y.; Grant, Irene R.; Friedman, Mendel; Elliott, Christopher T.; Situ, Chen

2008-01-01

The antibacterial activities of 18 naturally occurring compounds (including essential oils and some of their isolated constituents, apple and green tea polyphenols, and other plant extracts) against three strains of Mycobacterium avium subsp. paratuberculosis (a bovine isolate [NCTC 8578], a raw-milk isolate [806R], and a human isolate [ATCC 43015]) were evaluated using a macrobroth susceptibility testing method. M. avium subsp. paratuberculosis was grown in 4 ml Middlebrook 7H9 broth containing 10% oleic acid-albumin-dextrose-catalase, 0.05% Tween 80 (or 0.2% glycerol), and 2 μg/ml mycobactin J supplemented with five concentrations of each test compound. The changes in the optical densities of the cultures at 600 nm as a measure of CFU were recorded at intervals over an incubation period of 42 days at 37°C. Six of the compounds were found to inhibit the growth of M. avium subsp. paratuberculosis. The most effective compound was trans-cinnamaldehyde, with a MIC of 25.9 μg/ml, followed by cinnamon oil (26.2 μg/ml), oregano oil (68.2 μg/ml), carvacrol (72.2 μg/ml), 2,5-dihydroxybenzaldehyde (74 μg/ml), and 2-hydroxy-5-methoxybenzaldehyde (90.4 μg/ml). With the exception of carvacrol, a phenolic compound, three of the four most active compounds are aldehydes, suggesting that the structure of the phenolic group or the aldehyde group may be important to the antibacterial activity. No difference in compound activity was observed between the three M. avium subsp. paratuberculosis strains studied. Possible mechanisms of the antimicrobial effects are discussed. PMID:18676709

Novel phenanthrene and isocoumarin from the rhizomes of Dioscorea nipponica Makino subsp. rosthornii (Prain et Burkill) C. T. Ting (Dioscoreaceae).

PubMed

Li, Xuejiao; Zhao, Chengcheng; Jing, Songsong; Sun, Jiachen; Li, Xia; Man, Shuli; Wang, Ying; Gao, Wenyuan

2017-08-01

The investigation of the constituents in the rhizomes of Dioscorea nipponica Makino subsp. rosthornii (Prain et Burkill) C. T. Ting afforded one new phenanthrene 2,2',7,7'-tetramethoxy-[1,1'-biphenanthrene]-4,4',6,6'-tetrol (7) and one new isocoumarin diorosthornoumarin (8), together with 16 known compounds (1-6 and 9-18). Their structures were established on the basis of extensive spectroscopic evidences (IR, HR-ESI-MS, NMR and optical rotation), as well as comparison with literature values. All the compounds 1-18 were firstly isolated from Dioscorea nipponica Makino subsp. Rosthornii (Prain et Burkill) C. T. Ting, and compound 9 was firstly obtained as a natural product from plants, while the compounds 11 and 14 were obtained from both the genus Dioscorea and the family Dioscoreaceae for the first time. Moreover, the antitumor activities of the compounds were tested against lung carcinoma NCI-H460 cell line. Compound 12, 13, 15 and 16 showed significant cytotoxic activities, whereas 7 displayed moderate cytotoxicity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Experiments on the abiotic amplification of optical activity

NASA Technical Reports Server (NTRS)

Bonner, W. A.; Blair, N. E.; Dirbas, F. M.

1981-01-01

Experiments concerning the physical mechanisms for the abiotic generation and chemical mechanisms for the amplification of optical activity in biological compounds are reviewed. Attention is given to experiments involving the determination of the differential adsorption of racemic amino acids on d- and l-quartz, the asymmetric photolysis of racemic amino acids by circularly polarized light, and the asymmetric radiolysis of solid amino acids by longitudinally polarized electrons, and the enantiomeric enrichments thus obtained are noted. Further experiments on the amplification of the chirality in the polymerization of D, L-amino acid mixtures and the hydrolysis of D-, L-, and D, L-polypeptides are discussed. It is suggested that a repetitive cycle of partial polymerization-hydrolyses may account for the abiotic genesis of optically enriched polypeptides on the primitive earth.

Optical XOR gate

DOEpatents

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.

Optical NOR gate

DOEpatents

Skogen, Erik J [Albuquerque, NM; Tauke-Pedretti, Anna [Albuquerque, NM

2011-09-06

An optical NOR gate is formed from two pair of optical waveguide devices on a substrate, with each pair of the optical waveguide devices consisting of an electroabsorption modulator electrically connected in series with a waveguide photodetector. The optical NOR gate utilizes two digital optical inputs and a continuous light input to provide a NOR function digital optical output. The optical NOR 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.

Optical biosensor with poly[N-nonyl-3,6-bis(ethylenedioxythiophene)carbazole] matrix for monitoring of phenol derivatives

NASA Astrophysics Data System (ADS)

Jedrychowska, Agnieszka; Malecha, Karol; Cabaj, Joanna; Sołoducho, Jadwiga

2014-08-01

The aim of the research was to develop an enzymatic, optical biosensor which provides quick and convenient determination of phenolic compounds in aqueous solutions. The biosensing strategy concerns design, fabrication and testing of a miniature ceramic-based biosensor which is destined for in-situ substrate monitoring. The base of the measuring system was fabricated using low temperature co-fired ceramics (LTCC) technology. The biocatalyst - laccase- was immobilized on the thin film of poly[N-nonyl-3,6-bis(ethylenedioxythiophene)carbazole] which provided good binding of the enzyme to the substrate and positively affected on the catalytic activity of the protein. In order to evaluate properties of the designed biosensor, its response for various concentrations of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diamonnium sal (ABTS) was measured. The optical biosensor produced by presented method could find applications in many fields, i.e. for detection of phenolic compounds in food products and beverages, in industry for control of technological processes or for environmental monitoring

Sulfated steroid-amino acid conjugates from the Irish marine sponge Polymastia boletiformis.

PubMed

Smyrniotopoulos, Vangelis; Rae, Margaret; Soldatou, Sylvia; Ding, Yuanqing; Wolff, Carsten W; McCormack, Grace; Coleman, Christina M; Ferreira, Daneel; Tasdemir, Deniz

2015-03-24

Antifungal bioactivity-guided fractionation of the organic extract of the sponge Polymastia boletiformis, collected from the west coast of Ireland, led to the isolation of two new sulfated steroid-amino acid conjugates (1 and 2). Extensive 1D and 2D NMR analyses in combination with quantum mechanical calculations of the electronic circular dichroism (ECD) spectra, optical rotation, and 13C chemical shifts were used to establish the chemical structures of 1 and 2. Both compounds exhibited moderate antifungal activity against Cladosporium cucumerinum, while compound 2 was also active against Candida albicans. Marine natural products containing steroidal and amino acid constituents are extremely rare in nature.

Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives

PubMed Central

2016-01-01

Sp3-rich compounds are underrepresented in libraries for probe- and drug-discovery, despite their promise of extending the range of accessible molecular shapes beyond planar geometries. With this in mind, a collection of single-enantiomer bicyclic, fused cyclopentenones underpinned by a complexity-generating Pauson–Khand cyclization was synthesized. A fingerprint of biological actions of these compounds was determined immediately after synthesis using real-time annotation−a process relying on multiplexed measurements of alterations in cell morphological features. PMID:27978655

Molten salt-supported polycondensation of optically active diacid monomers with an aromatic thiazole-bearing diamine using microwave irradiation.

PubMed

Mallakpour, Shadpour; Zadehnazari, Amin

2014-05-01

Microwave heating was used to prepare optically active thiazole-bearing poly(amide-imide)s. Polymerization reactions were carried out in the molten tetrabutylammonium bromide as a green molten salt medium and triphenyl phosphite as the homogenizer. Structural elucidation of the compounds was performed by Fourier transform infrared and NMR spectroscopic data and elemental analysis results. The polymeric samples were readily soluble in various organic solvents, forming low-colored and flexible thin films via solution casting. They showed high thermal stability with decomposition temperature being above 360 °C. They were assembled randomly in a nanoscale size.

Molten salt-supported polycondensation of optically active diacid monomers with an aromatic thiazole-bearing diamine using microwave irradiation

PubMed Central

Mallakpour, Shadpour; Zadehnazari, Amin

2013-01-01

Microwave heating was used to prepare optically active thiazole-bearing poly(amide-imide)s. Polymerization reactions were carried out in the molten tetrabutylammonium bromide as a green molten salt medium and triphenyl phosphite as the homogenizer. Structural elucidation of the compounds was performed by Fourier transform infrared and NMR spectroscopic data and elemental analysis results. The polymeric samples were readily soluble in various organic solvents, forming low-colored and flexible thin films via solution casting. They showed high thermal stability with decomposition temperature being above 360 °C. They were assembled randomly in a nanoscale size. PMID:25685498

Micro-optical artificial compound eyes.

PubMed

Duparré, J W; Wippermann, F C

2006-03-01

Natural compound eyes combine small eye volumes with a large field of view at the cost of comparatively low spatial resolution. For small invertebrates such as flies or moths, compound eyes are the perfectly adapted solution to obtaining sufficient visual information about their environment without overloading their brains with the necessary image processing. However, to date little effort has been made to adopt this principle in optics. Classical imaging always had its archetype in natural single aperture eyes which, for example, human vision is based on. But a high-resolution image is not always required. Often the focus is on very compact, robust and cheap vision systems. The main question is consequently: what is the better approach for extremely miniaturized imaging systems-just scaling of classical lens designs or being inspired by alternative imaging principles evolved by nature in the case of small insects? In this paper, it is shown that such optical systems can be achieved using state-of-the-art micro-optics technology. This enables the generation of highly precise and uniform microlens arrays and their accurate alignment to the subsequent optics-, spacing- and optoelectronics structures. The results are thin, simple and monolithic imaging devices with a high accuracy of photolithography. Two different artificial compound eye concepts for compact vision systems have been investigated in detail: the artificial apposition compound eye and the cluster eye. Novel optical design methods and characterization tools were developed to allow the layout and experimental testing of the planar micro-optical imaging systems, which were fabricated for the first time by micro-optics technology. The artificial apposition compound eye can be considered as a simple imaging optical sensor while the cluster eye is capable of becoming a valid alternative to classical bulk objectives but is much more complex than the first system.

Chiral ligands derived from monoterpenes: application in the synthesis of optically pure secondary alcohols via asymmetric catalysis.

PubMed

El Alami, Mohammed Samir Ibn; El Amrani, Mohamed Amin; Agbossou-Niedercorn, Francine; Suisse, Isabelle; Mortreux, André

2015-01-19

The preparation of optically pure secondary alcohols in the presence of catalysts based on chiral ligands derived from monoterpenes, such as pinenes, limonenes and carenes, is reviewed. A wide variety of these ligands has been synthesized and used in several catalytic reactions, including hydrogen transfer, C-C bond formation via addition of organozinc compounds to aldehydes, hydrosilylation, and oxazaborolidine reduction, leading to high activities and enantioselectivities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Astrophysics Data System (ADS)

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.

Investigation of the Effect of Some Optically Active Imine Compounds on the Enzyme Activities of hCA-I and hCA-II under In Vitro Conditions: An Experimental and Theoretical Study.

PubMed

Tektas, Osman; Akkemik, Ebru; Baykara, Haci

2016-06-01

Inhibitors of carbonic anhydrase (hCA; EC 4.2.1.1) are used as medicines for many diseases. Therefore, they are very important. In this study, a known series of Schiff bases were synthesized and their effects on the activities of hCA-I and hCA-II, which are cytosolic isoenzymes of carbonic anhydrase, were investigated under in vitro conditions. The synthesized compounds (H1, H2, H3, and H4) were found to cause inhibition on enzyme activities of hCA-1 and hCA-II. IC50 values of H1, H2, H3, and H4 compounds were 140, 88, 201, and 271 μM for hCA-I enzyme activity and 134, 251, 79, and 604 μM for hCA-II enzyme activity, respectively. The synthesized Schiff bases were characterized by several methods, including (1) H NMR, FT-IR, elemental analysis, and polarimetric measurements. Correlation coefficient square values (R(2) ) of comparison of the theoretical and experimental (1) H NMR shifts for H1, H2, H3, and H4 compounds were found as 0.9781, 0.9814, 0.9758, and 0.8635, respectively. © 2016 Wiley Periodicals, Inc.

Heliotropiumides A and B, new phenolamides with N-carbamoyl putrescine moiety from Heliotropium foertherianum collected in Hawaii and their biological activities.

PubMed

Cai, You-Sheng; Sarotti, Ariel M; Gündisch, Daniela; Kondratyuk, Tamara P; Pezzuto, John M; Turkson, James; Cao, Shugeng

2017-10-15

Two new compounds heliotropiumides A (1) and B (2), phenolamides each with an uncommon carbamoyl putrescine moiety, were isolated from the seeds of a naturalized Hawaiian higher plant, Heliotropium foertherianum Diane & Hilger in the borage family, which is widely used for the treatment of ciguatera fish poisoning. The structures of compounds 1 and 2 were characterized based on MS spectroscopic and NMR analysis, and DP4+ calculations. The absolute configuration (AC) of compound 1 was determined by comparison of its optical rotation with those reported in literature. Compound 2 showed inhibition against NF-κB with an IC 50 value of 36μM. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis, characterization, crystal structure and quantum chemical investigations of three novel coumarin-benzenesulfonohydrazide derivatives

NASA Astrophysics Data System (ADS)

Chethan Prathap, K. N.; Lokanath, N. K.

2018-04-01

Coumarin derivatives are an important class of heterocyclic compounds due to their physical and biological properties. Coumarin derivatives have been identified with many significant electro-optical properties and biological activities. Three novel coumarin derivatives containing benzene sulfonohydrazide group were synthesized by condensation reaction. The synthesized compounds were characterized by various spectroscopic techniques (Mass, 1H/13C NMR and FTIR). Thermal and optical properties were investigated by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and UV-Vis spectroscopic studies. Finally their structures were confirmed by single crystal X-ray diffraction (XRD) studies. The three compounds exhibit diverse intermolecular interactions, as observed by the crystal packing and Hirshfeld surface analysis. Further, their structures were optimized by density functional theory (DFT) calculations using B3LYP hybrid functionals with 6-311G+(d,p) level basis set. The Mulliken charge, molecular electrostatic potential (MEP), frontier molecular orbitals (HOMO-LUMO) were investigated. The experimentally determined parameters were compared with those calculated theoretically and they complement each other with a very good correlation. The transitions among the molecular orbitals were investigated using time-dependent density functional theory (TD-DFT) and the electronic absorption spectra obtained showed very good agreement with the experimentally measured UV-Vis spectra. Furthermore, non-linear optical (NLO) properties were investigated by calculating polarizabilities and hyperpolarizabilities. All three compounds exhibit significantly high hyperpolarizabilities compared to the reference material urea, which makes them potential candidates for NLO applications.

Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand

NASA Astrophysics Data System (ADS)

Shakila, K.; Kalainathan, S.

2015-01-01

In this paper, we report the successful growth of complex compound of zinc iodide with thiocarbamide by slow evaporation method. The single crystal XRD study reveals that the crystal belongs to monoclinic system with centrosymmetric space group and powder XRD analysis shows that the perfect crystalline nature of the crystal. The presence of functional group and element were confirmed from FT-IR and EDAX analysis. Optical absorbance of the grown crystal was studied by UV-Vis spectrophotometer. The optical constants were calculated from the optical absorbance data such as refractive index (n), extinction coefficient (K) and reflectance (R). The optical band gap (Eg) of thiocarbamide zinc iodide crystal is 4.22 eV. The magnetic properties of grown crystal have been determined by Vibrating Sample Magnetometry (VSM). Room temperature magnetization revealed a ferromagnetic behaviour for the grown crystal. The antibacterial and antifungal activities of the title compound were performed by well diffusion method and MIC method against the standard bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia and against fungus like Aspergillus niger, Rhizopus sps and Penicillium sps. Thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA).

Masked red-emitting carbopyronine dyes with photosensitive 2-diazo-1-indanone caging group.

PubMed

Kolmakov, Kirill; Wurm, Christian; Sednev, Maksim V; Bossi, Mariano L; Belov, Vladimir N; Hell, Stefan W

2012-03-01

Caged near-IR emitting fluorescent dyes are in high demand in optical microscopy but up to now were unavailable. We discovered that the combination of a carbopyronine dye core and a photosensitive 2-diazo-1-indanone residue leads to masked near-IR emitting fluorescent dyes. Illumination of these caged dyes with either UV or visible light (λ < 420 nm) efficiently generates fluorescent compounds with absorption and emission at 635 nm and 660 nm, respectively. A high-yielding synthetic route with attractive possibilities for further dye design is described in detail. Good photostability, high contrast, and a large fluorescence quantum yield after uncaging are the most important features of the new compounds for non-invasive imaging in high-resolution optical microscopy. For use in immunolabelling the caged dyes were decorated with a (hydrophilic) linker and an (activated) carboxyl group.

The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds

NASA Astrophysics Data System (ADS)

Mubarak, A. A.

2016-07-01

The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) within the GGA. The calculated lattice constants and bulk modulus are found in agreement with previous studies. The present oxide-perovskite compounds are characterized as elastically stable and anisotropic. CaTiO3 and SrTiO3 are categorized as ductile compounds, whereas the BaTiO3 compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect (M-Γ) energy bandgap for the present compounds. The hydrostatic pressure increases the energy bandgap and the width of the valence band. The character of the band structure does not change due to this pressure. The optical parameters are calculated in different radiation regions. Beneficial optics applications are predicted as revealed from the optical spectra. The transport properties are applied as a function of the variable temperatures or carrier concentration. It is found that the compounds under study are classified as a p-type semiconductor. The majority charge carriers responsible for conduction in these calculated compounds are holes rather than electrons.

Sulfated Steroid–Amino Acid Conjugates from the Irish Marine Sponge Polymastia boletiformis

PubMed Central

Smyrniotopoulos, Vangelis; Rae, Margaret; Soldatou, Sylvia; Ding, Yuanqing; Wolff, Carsten W.; McCormack, Grace; Coleman, Christina M.; Ferreira, Daneel; Tasdemir, Deniz

2015-01-01

Antifungal bioactivity-guided fractionation of the organic extract of the sponge Polymastia boletiformis, collected from the west coast of Ireland, led to the isolation of two new sulfated steroid-amino acid conjugates (1 and 2). Extensive 1D and 2D NMR analyses in combination with quantum mechanical calculations of the electronic circular dichroism (ECD) spectra, optical rotation, and 13C chemical shifts were used to establish the chemical structures of 1 and 2. Both compounds exhibited moderate antifungal activity against Cladosporium cucumerinum, while compound 2 was also active against Candida albicans. Marine natural products containing steroidal and amino acid constituents are extremely rare in nature. PMID:25812034

Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Jun-ben; Xinjiang Key Laboratory of Electronic Information Material and Devices, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011; Mamat, Mamatrishat, E-mail: mmtrxt@xju.edu.cn

In this research work, Ag-containing quaternary-chalcogenide compounds KAg{sub 2}TS{sub 4} (T=P, Sb) (I-II) and RbAg{sub 2}SbS{sub 4} (III) have been studied by means of Density Functional Theory as potential IR nonlinear optical materials. The origin of wide band gap, different optical anisotropy and large SHG response is explained via a combination of density of states, electronic density difference and bond population analysis. It is indicated that the different covalent interaction behavior of P-S and Sb-S bonds dominates the band gap and birefringence. Specifically, the Ag-containing chalcogenide compound KAg{sub 2}PS{sub 4} possesses wide band gap and SHG response comparable with thatmore » of AgGaS{sub 2}. By exploring the origin of the band gap and NLO response for compounds KAg{sub 2}TS{sub 4} (T=P, Sb), we found the determination factor to the properties is different, especially the roles of Ag-d orbitals and bonding behavior of P-S or Sb-S. Thus, the compounds KAg{sub 2}TS{sub 4} (T=P, Sb) and RbAg{sub 2}SbS{sub 4} can be used in infrared (IR) region. - Graphical abstract: Metal thiophosphates RbPbPS{sub 4} and KSbP{sub 2}S{sub 6} have a similar band gap with KAg{sub 2}PS{sub 4}. However, based on first principles calculated results it shown that KAg{sub 2}PS{sub 4} possesses wide band gap (3.02 eV) and relatively large SHG response. Display Omitted.« less

Binary effect of titanium dioxide nanoparticles (nTio2) and phosphorus on microalgae (Chlorella 'Ellipsoides Gerneck, 1907).

PubMed

Matouke, Moise M; Elewa, Dorcas T; Abdullahi, Karimatu

2018-05-01

The wide application of titanium dioxide nanoparticles and phosphorus in the manufacturing of many industrial products mainly used in agricultural sector has resulted in the release of considerable amounts of these compounds into freshwater aquatic ecosystem. These compounds may cause some unexpected effects to aquatic organisms. This study assessed the binary effects of Titanium nanoparticles (nTiO 2 ) and Phosphorus on Chlorella ellipsoides. Toxicological assay test of the compounds nTiO 2 (1.25 μM) alone and the combination of Titanium dioxide (1.25 μM) and Phosphorus (16, 32, 80, 160, 240 μM) was assessed, after 96 h exposures, for optical density (OD 680 ), specific growth rate, chlorophyll levels and lipid peroxidation via Malondialdehyde (MDA) activity. Superoxide dismutase (SOD), peroxidase (POD) and glutathione-s-transferase (GST) activities were also measured. Two-way ANOVA showed a significant interaction (P < 0.05) between binary mixture. Co-exposure showed a decreased phosphorus bioconcentration in the microalgae with significant increase (P < 0.05) in chlorophyll a/b and total chlorophyll contents. A significant decrease (P < 0.05) in specific growth rate and optical density were recorded whereas, antioxidant enzymes (MDA, SOD, POD, GST) activities were significantly (P < 0.05) increased. These results showed that the addition of nTiO 2 to Phosphorus affected the physiology of microalgae and should be of great concern for freshwater biodiversity. Copyright © 2018. Published by Elsevier B.V.

Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations.

PubMed

Roknuzzaman, Md; Ostrikov, Kostya Ken; Wang, Hongxia; Du, Aijun; Tesfamichael, Tuquabo

2017-10-25

Lead (Pb) free non-toxic perovskite solar cells have become more important in the commercialization of the photovoltaic devices. In this study the structural, electronic, optical and mechanical properties of Pb-free inorganic metal halide cubic perovskites CsBX 3 (B = Sn, Ge; X = I, Br, Cl) for perovskite solar cells are simulated using first-principles Density Functional Theory (DFT). These compounds are semiconductors with direct band gap energy and mechanically stable. Results suggest that the materials have high absorption coefficient, low reflectivity and high optical conductivity with potential application in solar cells and other optoelectronic energy devices. On the basis of the optical properties, one can expect that the Germanium (Ge) would be a better replacement of Pb as Ge containing compounds have higher optical absorption and optical conductivity than that of Pb containing compounds. A combinational analysis of the electronic, optical and mechanical properties of the compounds suggests that CsGeI 3 based perovskite is the best Pb-free inorganic metal halide semiconductor for the solar cell application. However, the compound with solid solution of CsGe(I 0.7 Br 0.3 ) 3 is found to be mechanically more ductile than CsGeI 3 . This study will also guide to obtain Pb-free organic perovskites for optoelectronic devices.

A new mixed-ligand copper(II) complex of (E)-N";-(2-hydroxybenzylidene) acetohydrazide: Synthesis, characterization, NLO behavior, DFT calculation and biological activities

NASA Astrophysics Data System (ADS)

Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Crochet, Aurelien; Khaleghi, Moj; Fromm, Katharina M.

2014-08-01

A tridentate hydrazone Schiff base ligand, (E)-N";-(2-hydroxybenzylidene)acetohydrazide [HL], and its mixed-ligand Cu(II) complex [CuL(phen)], have been synthesized and characterized by elemental analyses, FT-IR, molar conductivity, UV-Vis spectroscopy. The structure of the complex has been determined by X-ray diffraction. This complex has square pyramidal geometry and the positions around central atom are occupied with donor atoms of Schiff base ligand and two nitrogens of 1,10-phenanthroline. Computational studies of compounds were performed by using DFT calculations. The linear polarizabilities and first hyperpolarizabilities of the studied molecules indicate that these compounds can be good candidates of nonlinear optical materials. It is in accordance with experimental data. In addition, invitro antimicrobial results show that these compounds specially [CuL(phen)] have great potential of antibacterial activity against Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, Listeria monocytogenes bacteria and antifungal activity against Candida Albicans in comparison to some standard drugs.

DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol.

PubMed

Temel, Ersin; Alaşalvar, Can; Gökçe, Halil; Güder, Aytaç; Albayrak, Çiğdem; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan; Dilek, Nefise

2015-02-05

We have reported synthesis and characterization of (E)-2-nitro-4-[(phenylimino)methyl]phenol by using X-ray crystallographic method, FT-IR and UV-vis spectroscopies and density functional theory (DFT). Optimized geometry and vibrational frequencies of the title compound in the ground state have been computed by using B3LYP with the 6-311G+(d,p) basis set. HOMO-LUMO energy gap, Non-linear optical properties and NBO analysis of the compound are performed at B3LYP/6-311G+(d,p) level. Additionally, as remarkable properties, antioxidant activity of the title compound (CMPD) has been determined by using different antioxidant test methods i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). When compared with standards (BHA, BHT, and α-tocopherol), we have concluded that CPMD has effective FRAP, HPSA, FRSA and FICA. Copyright © 2014 Elsevier B.V. All rights reserved.

Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.

PubMed

Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang

2017-05-11

A novel series of optically active 2,6-disubstituted alkylphenols with improved anesthetic profiles compared to widely used propofol were synthesized. The incorporation of the cyclopropyl group not only increased the steric effect but also introduced stereoselective effects over their anesthetic properties. Compounds 1, 2, and 6 were selected as potential candidates for further preclinical development including studies of their water-soluble prodrugs. Clinical studies of candidate compound 6 (Haisco HSK3486) as a general anesthetic are being performed in Australia and China.

Ground-based research of crystal growth of II-VI compound semiconductors by physical vapor transport

NASA Technical Reports Server (NTRS)

Volz, M. P.; Gillies, D. C.; Szofran, F. R.; Lehoczky, S. L.; Su, Ching-Hua; Sha, Yi-Gao; Zhou, W.; Dudley, M.; Liu, Hao-Chieh; Brebrick, R. F.;

The Electronic and Electro-Optic Future of III-V Semiconductor Compounds.

DTIC Science & Technology

1978-12-01

An assessment of material development of III-V compounds for electro - optic , microwave and millimeter wave technology is presented. Questions concerning material selection, needs and processing is addressed. (Author)

Optical NAND gate

DOEpatents

Skogen, Erik J [Albuquerque, NM; Raring, James [Goleta, CA; Tauke-Pedretti, Anna [Albuquerque, NM

2011-08-09

An optical NAND gate is formed from two pair of optical waveguide devices on a substrate, with each pair of the optical waveguide devices consisting of an electroabsorption modulator and a photodetector. One pair of the optical waveguide devices is electrically connected in parallel to operate as an optical AND gate; and the other pair of the optical waveguide devices is connected in series to operate as an optical NOT gate (i.e. an optical inverter). The optical NAND gate utilizes two digital optical inputs and a continuous light input to provide a NAND function output. The optical NAND 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.

Spirocyclic character of ixazomib citrate revealed by comprehensive XRD, NMR and DFT study

NASA Astrophysics Data System (ADS)

Skorepova, Eliska; Čerňa, Igor; Vlasáková, Růžena; Zvoníček, Vít; Tkadlecová, Marcela; Dušek, Michal

2017-11-01

Ixazomib citrate is a very recently approved anti-cancer drug. Until now, to the best of our knowledge, no one has been able to solve any crystal structures of this compound. In this work, we present the crystal structures of two isostructural solvates of ixazomib citrate. In all currently available literature, the molecule is characterized as containing a single optically active carbon atom and a borate cycle formed when ixazomib is reacted with citric acid to form a stabilized ixazomib citrate that can be administered orally. However, the crystal structures revealed that none of the up-to-date presented structural formulas of ixazomib citrate are fully accurate. In addition to the citrate ring, another 5-membered ring is formed. These two rings are connected by the boron atom, making this compound a spirocyclic borate. By spirocyclization, the boron atom becomes tetrahedral and therefore optically active. In the crystal structures, ixazomib citrate was found to be in forms of two RR and RS stereoisomers. The results are supported by solid-state and solution NMR and DFT quantum mechanical calculations.

Light-driven liquid microlenses

NASA Astrophysics Data System (ADS)

Angelini, A.; Pirani, F.; Frascella, F.; Ricciardi, S.; Descrovi, E.

2017-02-01

We propose a liquid polymeric compound based on photo-responsive azo-polymers to be used as light-activated optical element with tunable and reversible functionalities. The interaction of a laser beam locally modifies the liquid density thus producing a refractive index gradient. The laser induced refractive index profiles are observed along the optical axis of the microscope to evaluate the total phase shift induced and along the orthogonal direction to provide the axial distribution of the refractive index variation. The focusing and imaging properties of the liquid lenses as functions of the light intensity are illustrated.

A new method named as Segment-Compound method of baffle design

NASA Astrophysics Data System (ADS)

Qin, Xing; Yang, Xiaoxu; Gao, Xin; Liu, Xishuang

2017-02-01

As the observation demand increased, the demand of the lens imaging quality rising. Segment- Compound baffle design method was proposed in this paper. Three traditional methods of baffle design they are characterized as Inside to Outside, Outside to Inside, and Mirror Symmetry. Through a transmission type of optical system, the four methods were used to design stray light suppression structure for it, respectively. Then, structures modeling simulation with Solidworks, CAXA, Tracepro, At last, point source transmittance (PST) curve lines were got to describe their performance. The result shows that the Segment- Compound method can inhibit stay light more effectively. Moreover, it is easy to active and without use special material.

First-Principles Prediction of Electronic, Magnetic, and Optical Properties of Co2MnAs Full-Heusler Half-Metallic Compound

NASA Astrophysics Data System (ADS)

Bakhshayeshi, A.; Sarmazdeh, M. Majidiyan; Mendi, R. Taghavi; Boochani, A.

2017-04-01

Electronic, magnetic, and optical properties of Co2MnAs full-Heusler compound have been calculated using a first-principles approach with the full-potential linearized augmented plane-wave (FP-LAPW) method and generalized gradient approximation plus U (GGA + U). The results are compared with various properties of Co2Mn Z ( Z = Si, Ge, Al, Ga, Sn) full-Heusler compounds. The results of our calculations show that Co2MnAs is a half-metallic ferromagnetic compound with 100% spin polarization at the Fermi level. The total magnetic moment and half-metallic gap of Co2MnAs compound are found to be 6.00 μ B and 0.43 eV, respectively. It is also predicted that the spin-wave stiffness constant and Curie temperature of Co2MnAs compound are about 3.99 meV nm2 and 1109 K, respectively. The optical results show that the dominant behavior, at energy below 2 eV, is due to interactions of free electrons in the system. Interband optical transitions have been calculated based on the imaginary part of the dielectric function and analysis of critical points in the second energy derivative of the dielectric function. The results show that there is more than one plasmon energy for Co2MnAs compound, with the highest occurring at 25 eV. Also, the refractive index variations and optical reflectivity for radiation at normal incidence are calculated for Co2MnAs. Because of its high magnetic moment, high Curie temperature, and 100% spin polarization at the Fermi level as well as its optical properties, Co2MnAs is a good candidate for use in spintronic components and magnetooptical devices.

Optical data latch

DOEpatents

Vawter, G Allen [Corrales, NM

2010-08-31

An optical data latch is formed on a substrate from a pair of optical logic gates in a cross-coupled arrangement in which optical waveguides are used to couple an output of each gate to an photodetector input of the other gate. This provides an optical bi-stability which can be used to store a bit of optical information in the latch. Each optical logic gate, which can be an optical NOT gate (i.e. an optical inverter) or an optical NOR gate, includes a waveguide photodetector electrically connected in series with a waveguide electroabsorption modulator. The optical data latch can be formed on a III-V compound semiconductor substrate (e.g. an InP or GaAs substrate) from III-V compound semiconductor layers. A number of optical data latches can be cascaded to form a clocked optical data shift register.

Synthesis, Density Functional Theory (DFT), Urease Inhibition and Antimicrobial Activities of 5-Aryl Thiophenes Bearing Sulphonylacetamide Moieties.

PubMed

Noreen, Mnaza; Rasool, Nasir; Gull, Yasmeen; Zubair, Muhammad; Mahmood, Tariq; Ayub, Khurshid; Nasim, Faiz-Ul-Hassan; Yaqoob, Asma; Zia-Ul-Haq, Muhammad; de Feo, Vincenzo

2015-11-05

A variety of novel 5-aryl thiophenes 4a-g containing sulphonylacetamide (sulfacetamide) groups were synthesized in appreciable yields via Pd[0] Suzuki cross coupling reactions. The structures of these newly synthesized compounds were determined using spectral data and elemental analysis. Density functional theory (DFT) studies were performed using the B3LYP/6-31G (d, p) basis set to gain insight into their structural properties. Frontier molecular orbital (FMOs) analysis of all compounds 4a-g was computed at the same level of theory to get an idea about their kinetic stability. The molecular electrostatic potential (MEP) mapping over the entire stabilized geometries of the molecules indicated the reactive sites. First hyperpolarizability analysis (nonlinear optical response) were simulated at the B3LYP/6-31G (d, p) level of theory as well. The compounds were further evaluated for their promising antibacterial and anti-urease activities. In this case, the antibacterial activities were estimated by the agar well diffusion method, whereas the anti-urease activities of these compounds were determined using the indophenol method by quantifying the evolved ammonia produced. The results revealed that all the sulfacetamide derivatives displayed antibacterial activity against Bacillus subtiles, Escherichia coli, Staphylococcus aureus, Shigella dysenteriae, Salmonella typhae, Pseudomonas aeruginosa at various concentrations. Furthermore, the compound 4g N-((5-(4-chlorophenyl)thiophen-2-yl)sulfonyl) acetamide showed excellent urease inhibition with percentage inhibition activity ~46.23 ± 0.11 at 15 µg/mL with IC50 17.1 µg/mL. Moreover, some other compounds 4a-f also exhibited very good inhibition against urease enzyme.

A New N-methoxypyridone from the Co-Cultivation of Hawaiian Endophytic Fungi Camporesia sambuci FT1061 and Epicoccum sorghinum FT1062.

PubMed

Li, Chunshun; Sarotti, Ariel M; Yang, Baojun; Turkson, James; Cao, Shugeng

2017-07-12

A new N -methoxypyridone analog ( 1 ), together with four known compounds, was isolated from the co-culture of Hawaiian endophytic fungi Camporesia sambuci FT1061 and Epicoccum sorghinum FT1062. The structure of the new compound was elucidated as 11 S -hydroxy-1-methoxyfusaricide ( 1 ) by extensive spectroscopic analysis and comparison with the literature. The absolute configuration of 1 was determined by comparison with the experimental and calculated ECD spectra. The absolute configuration of compound 3 was investigated and renamed as (+)-epipyridone by comparison of the optical rotation and CD spectrum with those of 1 . The other known compounds were identified as epicoccarine B ( 2 ), D8646-2-6 ( 4 ), and iso-D8646-2-6 ( 5 ). Compounds 4 and 5 showed modest inhibitory activity towards pathogenic fungi. Epicoccarine B ( 2 ) inhibited A2780 and TK-10 with an IC 50 value of 22 μM.

A combined experimental and computational study of 3-bromo-5-(2,5-difluorophenyl) pyridine and 3,5-bis(naphthalen-1-yl)pyridine: Insight into the synthesis, spectroscopic, single crystal XRD, electronic, nonlinear optical and biological properties

NASA Astrophysics Data System (ADS)

Ghiasuddin; Akram, Muhammad; Adeel, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Khan, Muhammad Usman; Asghar, Muhammad Adnan; Ullah, Malik Aman; Iqbal, Muhammad

2018-05-01

Carbon-carbon coupling play a vital role in the synthetic field of organic chemistry. Two novel pyridine derivatives: 3-bromo-5-(2,5-difluorophenyl)pyridine (1) and 3,5-bis(naphthalen-1-yl)pyridine (2) were synthesized via carbon-carbon coupling, characterized by XRD, spectroscopic techniques and also investigated by using density functional theory (DFT). XRD data and optimized DFT studies are found to be in good correspondence with each other. The UV-Vis analysis of compounds under study i.e. (1) and (2) was obtained by using "TD-DFT/B3LYP/6-311 + G(d,p)" level of theory to explain the vertical transitions. Calculated FT-IR and UV-Vis results are found to be in good agreement with experimental FT-IR and UV-Vis findings. Natural bond orbital (NBO) study was performed using B3LYP/6-311 + G(d,p) level to find the most stable molecular structure of the compounds. Frontier molecular orbital (FMO) analysis were performed at B3LYP/6-311 + G(d,p) level of theory, which indicates that the molecules might be bioactive. Moreover, the bioactivity of compounds (1) and (2) have been confirmed by the experimental activity in terms of zones of inhibition against bacteria and fungus. Chemical reactivity of compounds (1) and (2) was indicated by mapping molecular electrostatic potential (MEP) over the entire stabilized geometries of the compounds under study. The nonlinear optical properties were computed with B3LYP/6-311 + G(d,p) level of theory which are found greater than the value of urea due to conjugation effect. Two state model has been further employed to explain the nonlinear optical properties of compounds under investigation.

Simultaneous measurement and modulation of multiple physiological parameters in the isolated heart using optical techniques

PubMed Central

Lee, Peter; Yan, Ping; Ewart, Paul; Kohl, Peter

2012-01-01

Whole-heart multi-parametric optical mapping has provided valuable insight into the interplay of electro-physiological parameters, and this technology will continue to thrive as dyes are improved and technical solutions for imaging become simpler and cheaper. Here, we show the advantage of using improved 2nd-generation voltage dyes, provide a simple solution to panoramic multi-parametric mapping, and illustrate the application of flash photolysis of caged compounds for studies in the whole heart. For proof of principle, we used the isolated rat whole-heart model. After characterising the blue and green isosbestic points of di-4-ANBDQBS and di-4-ANBDQPQ, respectively, two voltage and calcium mapping systems are described. With two newly custom-made multi-band optical filters, (1) di-4-ANBDQBS and fluo-4 and (2) di-4-ANBDQPQ and rhod-2 mapping are demonstrated. Furthermore, we demonstrate three-parameter mapping using di-4-ANBDQPQ, rhod-2 and NADH. Using off-the-shelf optics and the di-4-ANBDQPQ and rhod-2 combination, we demonstrate panoramic multi-parametric mapping, affording a 360° spatiotemporal record of activity. Finally, local optical perturbation of calcium dynamics in the whole heart is demonstrated using the caged compound, o-nitrophenyl ethylene glycol tetraacetic acid (NP-EGTA), with an ultraviolet light-emitting diode (LED). Calcium maps (heart loaded with di-4-ANBDQPQ and rhod-2) demonstrate successful NP-EGTA loading and local flash photolysis. All imaging systems were built using only a single camera. In conclusion, using novel 2nd-generation voltage dyes, we developed scalable techniques for multi-parametric optical mapping of the whole heart from one point of view and panoramically. In addition to these parameter imaging approaches, we show that it is possible to use caged compounds and ultraviolet LEDs to locally perturb electrophysiological parameters in the whole heart. PMID:22886365

Spectroscopic and theoretical study of the charge transfer interaction effect on the vibrational modes and nonlinear optical properties in L-asparaginium nitrate crystal

NASA Astrophysics Data System (ADS)

Elleuch, Nabil; Abid, Younes; Feki, Habib

2016-09-01

Single crystals of L-asparaginium nitrate (LAsnN) were grown by slow evaporation technique. To confirm the crystalline nature of the obtained compound, samples were the subject of an XRPD. The density functional theory (DFT) computations were carried out at B3LYP/6-31G (d) level to reach the optimized geometry, the vibrational spectra and the NLO properties. The excellent agreement between simulated and observed vibrational spectra led to a reliable vibrational assignment. To demonstrate the various charge transfer interactions that stabilize the compound and led to the high nonlinear optical activity, NBO analysis was performed. Also, owing to the hydrogen bond formation, a lowering in the HOMO-LUMO energy gap is noticed. Moreover, as a result of the charge transfer interactions, the symmetry of the nitrate ions was lost and some forbidden modes were excited.

Direct Wafer Bonding and Its Application to Waveguide Optical Isolators

PubMed Central

Mizumoto, Tetsuya; Shoji, Yuya; Takei, Ryohei

2012-01-01

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. PMID:28817020

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid.

PubMed

Venkatesan, Perumal; Thamotharan, Subbiah; Ilangovan, Andivelu; Liang, Hongze; Sundius, Tom

2016-01-15

Nonlinear optical (NLO) activity of the compound (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid is investigated experimentally and theoretically using X-ray crystallography and quantum chemical calculations. The NLO activity is confirmed by both powder Second Harmonic Generation (SHG) experiment and first hyper polarizability calculation. The title compound displays 8 fold excess of SHG activity when compared with the standard compound KDP. The gas phase geometry optimization and vibrational frequencies calculations are performed using density functional theory (DFT) incorporated in B3LYP with 6-311G++(d,p) basis set. The title compound crystallizes in non-centrosymmetric space group P21. Moreover, the crystal structure is primarily stabilized through intramolecular N-H···O and O-H···O hydrogen bonds and intermolecular C-H···O and C-H···π interactions. These intermolecular interactions are analyzed and quantified using Hirshfeld surface analysis and PIXEL method. The detailed vibrational assignments are performed on the basis of the potential energy distributions (PED) of the vibrational modes. Copyright © 2015 Elsevier B.V. All rights reserved.

Immunomodulatory Polyketides from a Phoma-like Fungus Isolated from a Soft Coral.

PubMed

Sun, Yi-Zhe; Kurtán, Tibor; Mándi, Attila; Tang, Hua; Chou, Yalan; Soong, Keryea; Su, Li; Sun, Peng; Zhuang, Chun-Lin; Zhang, Wen

2017-11-22

Fourteen new polyketides with a trans-fused decalin ring system, libertalides A-N (3-16), together with two known analogues, aspermytin A and its acetate (1, 2), were isolated from the fermentation extract of a coral-derived Libertasomyces sp. fungus. Their relative configurations were elucidated on the basis of detailed spectroscopic analysis, and the absolute configurations were determined by TDDFT-ECD and optical rotation (OR) calculations. The OR of 1 and 2 were found to have opposite signs in CH 3 CN and CHCl 3 , which was in agreement with the OR calculations producing alternating signs for the optical rotation depending on the applied conditions. Because the signs of the OR for 1 and 2 showed high solvent dependence, they may not be used alone to correlate the absolute configurations. Compound 16 displayed structural novelty characterized by an α-enol ether bridge conjugated with an aldehyde group. In in vitro immunomodulatory screening, compounds 1, 4, and 10 significantly induced the proliferation of CD3 + T cells, while compounds 2, 7, 11, and 14 significantly increased the CD4 + /CD8 + ratio at 3 μM. A preliminary structure-activity analysis revealed a crucial role of Δ 7 and a terminal OH group in the regulation of CD3 + T cell proliferation. This is the first report of immunoregulatory activity for metabolites of this kind.

Impact of anion replacement on the optoelectronic and thermoelectric properties of CaMg2X2, X= (N, P, As, Sb, Bi) compounds

NASA Astrophysics Data System (ADS)

Khan, Abdul Ahad; Yaseen, M.; Laref, A.; Murtaza, G.

2018-07-01

The structural, electronic, optical and thermoelectric properties of ternary CaMg2X2 (X = N, P, As, Sb and Bi) compounds are investigated using all electrons full potential linearized augment plane wave method. By using generalized gradient approximation (GGA), unit cell volumes of the compounds are optimized. For calculations of optical and electronic properties the modified Becke Johnson exchange potential is used along with the GGA. The direct energy band gap decreases by replacing the pnictogen elements, while indirect bandgap also decreases except for CaMg2As2. The optical properties show a prominent variation over the change of anion from N to Bi. There is inverse variation between refractive index and the band gap. The refractive indices of these compounds are high in the visible region and sharply decreased in the ultraviolet region. The thermoelectric properties are also studied using Boltzmann statistics through BoltzTrap code. A positive non-zero value of Seebeck coefficient shows a P-type semiconducting behavior of these compounds. High figure of merits (ZT) and optical conductivity peaks for all compounds reveal that they are good candidates for the thermo-electric and optoelectronics devices.

Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations

NASA Astrophysics Data System (ADS)

Elleuch, Nabil; Ben Ahmed, Ali; Feki, Habib; Abid, Younes; Minot, Christian

2014-03-01

In this work, we report a combined experimental and theoretical study of a nonlinear optical material, L-Phenylalanine L-Phenylalaninium Perchlorate. Single crystals of the title compound have been grown by slow evaporation of an aqueous solution at room temperature. Theoretical calculations were preceded by redetermination of the crystal X-ray structure. The compound crystallizes in the non-centro symmetric space group P212121 of the orthorhombic system. The FT-IR and Raman spectra of the crystal were recorded and analyzed. The density functional theory (DFT) computations have been performed at B3LYP/6-31G(d) level to derive equilibrium geometry, vibrational wavenumbers, intensity and NLO properties. All observed vibrational bands have been discussed and assigned to normal mode or to combinations on the basis of our DFT calculations as a primary source of attribution and also by comparison with the previous results for similar compounds. Natural bond orbital analysis was carried out to demonstrate the various inter-and intramolecular interaction that are responsible of the stabilization of the compound. The lowering of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy gap appears to be the cause of its enhanced charge transfer interaction leading to high NLO activity.

Asphodosides A-E, anti-MRSA metabolites from Asphodelus microcarpus.

PubMed

Ghoneim, Mohammed M; Elokely, Khaled M; El-Hela, Atef A; Mohammad, Abd-Elsalam I; Jacob, Melissa; Radwan, Mohamed M; Doerksen, Robert J; Cutler, Stephen J; Ross, Samir A

2014-09-01

Bioassay guided fractionation of the ethanolic extract of Asphodelus microcarpus Salzm. et Viv. (Xanthorrhoeaceae or Asphodelaceae) resulted in isolation of five compounds identified as asphodosides A-E (1-5). Compounds 2-4 showed activity against methicillin resistant Staphylococcus aureus (MRSA) with IC50 values of 1.62, 7.0 and 9.0μg/mL, respectively. They also exhibited activity against Staphylococcus aureus (non-MRSA) with IC50 values of 1.0, 3.4 and 2.2μg/mL, respectively. The structure elucidation of isolated metabolites was carried out using spectroscopic data (1D and 2D NMR), optical rotation and both experimental and calculated electronic circular dichroism (ECD). Copyright © 2014 Elsevier Ltd. All rights reserved.

Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand.

PubMed

Shakila, K; Kalainathan, S

2015-01-25

In this paper, we report the successful growth of complex compound of zinc iodide with thiocarbamide by slow evaporation method. The single crystal XRD study reveals that the crystal belongs to monoclinic system with centrosymmetric space group and powder XRD analysis shows that the perfect crystalline nature of the crystal. The presence of functional group and element were confirmed from FT-IR and EDAX analysis. Optical absorbance of the grown crystal was studied by UV-Vis spectrophotometer. The optical constants were calculated from the optical absorbance data such as refractive index (n), extinction coefficient (K) and reflectance (R). The optical band gap (Eg) of thiocarbamide zinc iodide crystal is 4.22 eV. The magnetic properties of grown crystal have been determined by Vibrating Sample Magnetometry (VSM). Room temperature magnetization revealed a ferromagnetic behaviour for the grown crystal. The antibacterial and antifungal activities of the title compound were performed by well diffusion method and MIC method against the standard bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia and against fungus like Aspergillus niger, Rhizopus sps and Penicillium sps. Thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). Copyright © 2014. Published by Elsevier B.V.

Measurement of infrared refractive indices of organic and organophosphorous compounds for optical modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tonkyn, Russell G.; Danby, Tyler O.; Birnbaum, Jerome C.

The complex optical refractive index contains the optical constants, n(more » $$\\tilde{u}$$)and k($$\\tilde{u}$$), which correspond to the dispersion and absorption of light within a medium, respectively. By obtaining the optical constants one can in principle model most optical phenomena in media and at interfaces including reflection, refraction and dispersion. We have developed improved protocols based on the use of multiple path lengths to determine the optical constants for dozens of liquids, including organic and organophosphorous compounds. Detailed description of the protocols to determine the infrared indices will be presented, along with preliminary results using the constants with their applications to optical modeling.« less

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

PubMed

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

Large-field-of-view wide-spectrum artificial reflecting superposition compound eyes

NASA Astrophysics Data System (ADS)

Huang, Chi-Chieh

The study of the imaging principles of natural compound eyes has become an active area of research and has fueled the advancement of modern optics with many attractive design features beyond those available with conventional technologies. Most prominent among all compound eyes is the reflecting superposition compound eyes (RSCEs) found in some decapods. They are extraordinary imaging systems with numerous optical features such as minimum chromatic aberration, wide-angle field of view (FOV), high sensitivity to light and superb acuity to motion. Inspired by their remarkable visual system, we were able to implement the unique lens-free, reflection-based imaging mechanisms into a miniaturized, large-FOV optical imaging device operating at the wide visible spectrum to minimize chromatic aberration without any additional post-image processing. First, two micro-transfer printing methods, a multiple and a shear-assisted transfer printing technique, were studied and discussed to realize life-sized artificial RSCEs. The processes exploited the differential adhesive tendencies of the microstructures formed between a donor and a transfer substrate to accomplish an efficient release and transfer process. These techniques enabled conformal wrapping of three-dimensional (3-D) microstructures, initially fabricated in two-dimensional (2-D) layouts with standard fabrication technology onto a wide range of surfaces with complex and curvilinear shapes. Final part of this dissertation was focused on implementing the key operational features of the natural RSCEs into large-FOV, wide-spectrum artificial RSCEs as an optical imaging device suitable for the wide visible spectrum. Our devices can form real, clear images based on reflection rather than refraction, hence avoiding chromatic aberration due to dispersion by the optical materials. Compared to the performance of conventional refractive lenses of comparable size, our devices demonstrated minimum chromatic aberration, exceptional FOV up to 165o without distortion, modest spherical aberrations and comparable imaging quality without any post-image processing. Together with an augmenting cruciform pattern surrounding each focused image, our devices possessed enhanced, dynamic motion-tracking capability ideal for diverse applications in military, security, search and rescue, night navigation, medical imaging and astronomy. In the future, due to its reflection-based operating principles, it can be further extended into mid- and far-infrared for more demanding applications.

Metabolites from the Endophytic Fungus Curvularia sp. M12 Act as Motility Inhibitors against Phytophthora capsici Zoospores.

PubMed

Mondol, Muhammad Abdul Mojid; Farthouse, Jannatul; Islam, Mohammad Tofazzal; Schüffler, Anja; Laatsch, Hartmut

2017-02-24

The endophytic fungus Curvularia sp., strain M12, was isolated from a leaf of the medicinal plant Murraya koenigii and cultured on rice medium followed by chemical screening of the culture extract. Chromatographic analysis led to the isolation of four new compounds, murranofuran A (1), murranolide A (2), murranopyrone (3a), and murranoic acid A (4a), along with six known metabolites, N-(2-hydroxy-6-methoxyphenyl)acetamide (5), curvularin (6), (S)-dehydrocurvularin (7), pyrenolide A (8), modiolide A (9), and 8-hydroxy-6-methoxy-3-methylisocoumarin (10). The structures of the known compounds were confirmed by comparing ESI HR mass spectra, 1 H and 13 C NMR, and optical rotation data with values reported in the literature. The planar structures of the new compounds were elucidated by extensive analysis of 1D and 2D NMR and mass data. The absolute configurations of the new compounds were established by coupling constant analysis, modified Mosher's method, and CD data. Compound 8 showed a strong motility impairing activity against Phytophthora capsici zoospores at a low concentration (100% at 0.5 μg/mL) in a short time (30 min). Compounds 2, 3a, 6, 7, 9, and 10 exhibited zoospore motility impairment activity at higher concentrations (IC 50 : 50-100 μg/mL).

Five new lactone derivatives from the stems of Dendrobium nobile.

PubMed

Zhou, Xue-Ming; Zheng, Cai-Juan; Wu, Jia-Ting; Chen, Guang-Ying; Chen, Jun; Sun, Chong-Ge

2016-12-01

Five new lactone derivatives decumbic acids A and B (1 and 2), (-)-decumbic acid (3a), (-)- and (+)-dendrolactone (4a and 4b) together with four known compounds (3b and 5-7) were isolated from the stems of Dendrobium nobile. Their structures were elucidated using comprehensive spectroscopic methods. Compounds 3a and 3b, 4a and 4b were isolated as two pair of enantiomers by chiral HPLC. The absolute configurations of 1, 2, 3a, 4a and 4b were determined by optical rotation and X-ray crystallographic analysis. The inhibitory activities of all compounds against nine phytopathogenic fungi and three cancer cell lines were evaluated. Copyright © 2016 Elsevier B.V. All rights reserved.

Solitonic guide and multiphoton absorption processes in photopolymerizable materials for optical integrated circuits

NASA Astrophysics Data System (ADS)

Klein, Stephane; Barsella, Alberto; Acker, D.; Sutter, C.; Beyer, N.; Andraud, Chantal; Fort, Alain F.; Dorkenoo, Kokou D.

2004-09-01

Up to now, most of the optical integrated devices are realized on glass or III-V substrates and the waveguides are usually obtained by photolithography techniques. We present here a new approach based on the use of photopolymerizable compounds. The conditions of self-written channel creation by solitonic propagation inside the bulk of these photopolymerizable formulations are analyzed. Both experimental and theoretical results of the various stages of self-written guide propagation are presented. A further step has been achieved by using a two-photon absorption process for the polymerization via a confocal microscopy technique. Combined with the solitonic guide creation, this technique allows to draw 3D optical circuits. Finally, by doping the photopolymerizable mixtures with push-pull chromophores having a controlled orientation, it will be possible to create active optical integrated devices.

Detection of chlorinated aromatic compounds

DOEpatents

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.

Detection of chlorinated aromatic compounds

DOEpatents

Ekechukwu, Amy A.

1996-01-01

A method for making a composition for measuring the concentration of chloated aromatic compounds in aqueous fluids, and an optical probe for use with the method. 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.

Solid State Research, 1973:2.

DTIC Science & Technology

MERCURY COMPOUNDS, CADMIUM COMPOUNDS, TELLURIDES, NEODYMIUM COMPOUNDS, PHOSPHATES , ELECTRON TRANSITIONS, INFRARED OPTICAL MATERIALS, CRYSTAL GROWTH, MAGNESIUM OXIDES, PHOSPHORESCENT MATERIALS, SEMICONDUCTOR DIODES, MICROELECTRONICS

Phase diagrams of orientational transitions in absorbing nematic liquid crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolot’ko, A. S., E-mail: zolotko@lebedev.ru; Ochkin, V. N.; Smayev, M. P.

2015-05-15

A theory of orientational transitions in nematic liquid crystals (NLCs), which employs the expansion of optical torques acting on the NLC director with respect to the rotation angle, has been developed for NLCs with additives of conformationally active compounds under the action of optical and low-frequency electric and magnetic fields. Phase diagrams of NLCs are constructed as a function of the intensity and polarization of the light field, the strength of low-frequency electric field, and a parameter that characterizes the feedback between the rotation of the NLC director and optical torque. Conditions for the occurrence of first- and second-order transitionsmore » are determined. The proposed theory agrees with available experimental data.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr; Bin-Omran, S.; Department of Physics, Faculty of Science & Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942

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 tomore » 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.« less

Molecular docking, vibrational, structural, electronic and optical studies of {4 - (2, 6) dichlorophenyl amino 2 - methylidene 4 - oxobutanoic acid and 4- (2, 5)} dichlorophenyl amino 2 - methylidene 4 - oxobutanoic acid - A comparative study

NASA Astrophysics Data System (ADS)

Vanasundari, K.; Balachandran, V.; Kavimani, M.; Narayana, B.

2018-03-01

Spectroscopic and structural investigations of 4 - [(2, 6 - dichlorophenyl) amino] 2 -methylidene 4 - oxobutanoic acid (6DAMB) and 4-[(2, 5- dichlorophenyl) amino] 2 - methylidene 4 - oxobutanoic acid (5DAMB) are presented by using experimental (FT-IR and FT-Raman) spectra and theoretical (DFT approach) calculations. Seventy-two characteristic vibrational bands of the title compounds were assigned and compared with available experimental data. Stability of the molecule arising from hyper-conjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. Several descriptors determined from the energies of frontier molecular orbital (HOMO and LUMO) were applied to describe the reactivity of the title compound. The dipole moment and first hyperpolarizabilities of the studied compounds indicate that the compound is a good candidate of nonlinear optical materials. Theoretical Ultraviolet-Visible spectra of title compounds have been analyzed using the TD-DFT method. The noncovalent interactions like hydrogen bonding and Van der Waals interaction were identified from the molecular geometry and electron localization function. These interactions in molecules have been studied by using reduced density gradient (RDG) and graphed by Multiwfn. Auto-dock studies reveal that butanoic acid derivatives play a vital role in bonding and results draw us to the concluded that both compounds inhibit Placenta growth factor (PIGF-1) and that have good biological activities. This study may also provide further investigation on butanoic acid derivatives for pharmacological importance.

Soya bean tempe extracts show antibacterial activity against Bacillus cereus cells and spores.

PubMed

Roubos-van den Hil, P J; Dalmas, E; Nout, M J R; Abee, T

2010-07-01

Tempe, a Rhizopus ssp.-fermented soya bean food product, was investigated for bacteriostatic and/or bactericidal effects against cells and spores of the food-borne pathogen Bacillus cereus. Tempe extract showed a high antibacterial activity against B. cereus ATCC 14579 based on optical density and viable count measurements. This growth inhibition was manifested by a 4 log CFU ml(-1) reduction, within the first 15 min of exposure. Tempe extracts also rapidly inactivated B. cereus spores upon germination. Viability and membrane permeability assessments using fluorescence probes showed rapid inactivation and permeabilization of the cytoplasmic membrane confirming the bactericidal mode of action. Cooked beans and Rhizopus grown on different media did not show antibacterial activity, indicating the unique association of the antibacterial activity with tempe. Subsequent characterization of the antibacterial activity revealed that heat treatment and protease addition nullified the bactericidal effect, indicating the proteinaceous nature of the bioactive compound. During fermentation of soya beans with Rhizopus, compounds are released with extensive antibacterial activity against B. cereus cells and spores. The results show the potential of producing natural antibacterial compounds that could be used as ingredients in food preservation and pathogen control. © 2009 The Authors. Journal compilation © 2009 The Society for Applied Microbiology.

Fabrication of semiconductor-polymer compound nonlinear photonic crystal slab with highly uniform infiltration based on nano-imprint lithography technique.

PubMed

Qin, Fei; Meng, Zi-Ming; Zhong, Xiao-Lan; Liu, Ye; Li, Zhi-Yuan

2012-06-04

We present a versatile technique based on nano-imprint lithography to fabricate high-quality semiconductor-polymer compound nonlinear photonic crystal (NPC) slabs. The approach allows one to infiltrate uniformly polystyrene materials that possess large Kerr nonlinearity and ultrafast nonlinear response into the cylindrical air holes with diameter of hundred nanometers that are perforated in silicon membranes. Both the structural characterization via the cross-sectional scanning electron microscopy images and the optical characterization via the transmission spectrum measurement undoubtedly show that the fabricated compound NPC samples have uniform and dense polymer infiltration and are of high quality in optical properties. The compound NPC samples exhibit sharp transmission band edges and nondegraded high quality factor of microcavities compared with those in the bare silicon PC. The versatile method can be expanded to make general semiconductor-polymer hybrid optical nanostructures, and thus it may pave the way for reliable and efficient fabrication of ultrafast and ultralow power all-optical tunable integrated photonic devices and circuits.

Multiple Doped Erbium Glasses,

DTIC Science & Technology

GLASS, LASERS, ERBIUM, ERBIUM COMPOUNDS, DOPING, OXIDES, OPTIMIZATION, ATOMIC ENERGY LEVELS, PHOSPHATES , YTTERBIUM COMPOUNDS, NEODYMIUM COMPOUNDS, OPTICAL PUMPING, FLUORESCENCE, LIFE EXPECTANCY(SERVICE LIFE), BAND SPECTRA.

Application of optical action potentials in human induced pluripotent stem cells-derived cardiomyocytes to predict drug-induced cardiac arrhythmias.

PubMed

Lu, H R; Hortigon-Vinagre, M P; Zamora, V; Kopljar, I; De Bondt, A; Gallacher, D J; Smith, G

2017-09-01

Human induced pluripotent stem cell-derived cardiomyocytes (hiPS-CMs) are emerging as new and human-relevant source in vitro model for cardiac safety assessment that allow us to investigate a set of 20 reference drugs for predicting cardiac arrhythmogenic liability using optical action potential (oAP) assay. Here, we describe our examination of the oAP measurement using a voltage sensitive dye (Di-4-ANEPPS) to predict adverse compound effects using hiPS-CMs and 20 cardioactive reference compounds. Fluorescence signals were digitized at 10kHz and the records subsequently analyzed off-line. Cells were exposed to 30min incubation to vehicle or compound (n=5/dose, 4 doses/compound) that were blinded to the investigating laboratory. Action potential parameters were measured, including rise time (T rise ) of the optical action potential duration (oAPD). Significant effects on oAPD were sensitively detected with 11 QT-prolonging drugs, while oAPD shortening was observed with I Ca -antagonists, I Kr -activator or ATP-sensitive K + channel (K ATP )-opener. Additionally, the assay detected varied effects induced by 6 different sodium channel blockers. The detection threshold for these drug effects was at or below the published values of free effective therapeutic plasma levels or effective concentrations by other studies. The results of this blinded study indicate that OAP is a sensitive method to accurately detect drug-induced effects (i.e., duration/QT-prolongation, shortening, beat rate, and incidence of early after depolarizations) in hiPS-CMs; therefore, this technique will potentially be useful in predicting drug-induced arrhythmogenic liabilities in early de-risking within the drug discovery phase. Copyright © 2017 Elsevier Inc. All rights reserved.

Catalytic Asymmetric Synthesis of Butenolides and Butyrolactones

PubMed Central

2017-01-01

γ-Butenolides, γ-butyrolactones, and derivatives, especially in enantiomerically pure form, constitute the structural core of numerous natural products which display an impressive range of biological activities which are important for the development of novel physiological and therapeutic agents. Furthermore, optically active γ-butenolides and γ-butyrolactones serve also as a prominent class of chiral building blocks for the synthesis of diverse biological active compounds and complex molecules. Taking into account the varying biological activity profiles and wide-ranging structural diversity of the optically active γ-butenolide or γ-butyrolactone structure, the development of asymmetric synthetic strategies for assembling such challenging scaffolds has attracted major attention from synthetic chemists in the past decade. This review offers an overview of the different enantioselective synthesis of γ-butenolides and γ-butyrolactones which employ catalytic amounts of metal complexes or organocatalysts, with emphasis focused on the mechanistic issues that account for the observed stereocontrol of the representative reactions, as well as practical applications and synthetic potentials. PMID:28640622

Partial Pressures of Te2 and Thermodynamic Properties of Ga-Te System

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

2001-01-01

The partial pressures of Te2 in equilibrium with Ga(1-x)Te(x) samples were measured by optical absorption technique from 450 to 1100 C for compositions, x, between 0.333 and 0.612. To establish the relationship between the partial pressure of Te, and the measured optical absorbance, the calibration runs of a pure Te sample were also conducted to determine the Beer's Law constants. The partial pressures of Te2 in equilibrium with the GaTe(s) and Ga2Te3(s)compounds, or the so-called three-phase curves, were established. These partial pressure data imply the existence of the Ga3Te4(s) compound. From the partial pressures of Te2 over the Ga-Te melts, partial molar enthalpy and entropy of mixing for Te were derived and they agree reasonable well with the published data. The activities of Te in the Ga-Te melts were also derived from the measured partial pressures of Te2. These data agree well with most of the previous results. The possible reason for the high activity of Te measured for x less than 0.60 is discussed.

Experimental and theoretical calculation studies on the structure elucidation and absolute configuration of calyxins from Alpinia katsumadai.

PubMed

Wang, Xiao-Bing; Yang, Chang-Shui; Luo, Jian-Guang; Zhang, Chao; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi

2017-06-01

Six novel calyxins, named calyxin T-W, ent-calyxin T and ent-calyxin U were isolated from the seeds of Alpinia katsumadai Hayata. Their relative configurations were elucidated by means of detailed UV, IR, NMR and MS spectroscopic data. Their absolute configurations were assigned by collaborative studies on single crystal X-ray diffraction analysis, Mosher's method, electronic circular dichroism (ECD), optical rotation and theoretical calculations. These compounds are Friedel-Cranft alkylation adducts composed of coexisted diarylheptanoids and flavanone from the seeds of Alpinia katsumadai. The antiproliferative activity of the six compounds against NCI-H460, HeLa, SMMC-7721 and HCT-116 cell lines was also reported, and most of them showed moderate to strong activities. Copyright © 2017. Published by Elsevier B.V.

Two-photon-based photoactivation in live zebrafish embryos.

PubMed

Russek-Blum, Niva; Nabel-Rosen, Helit; Levkowitz, Gil

2010-12-24

Photoactivation of target compounds in a living organism has proven a valuable approach to investigate various biological processes such as embryonic development, cellular signaling and adult physiology. In this respect, the use of multi-photon microscopy enables quantitative photoactivation of a given light responsive agent in deep tissues at a single cell resolution. As zebrafish embryos are optically transparent, their development can be monitored in vivo. These traits make the zebrafish a perfect model organism for controlling the activity of a variety of chemical agents and proteins by focused light. Here we describe the use of two-photon microscopy to induce the activation of chemically caged fluorescein, which in turn allows us to follow cell's destiny in live zebrafish embryos. We use embryos expressing a live genetic landmark (GFP) to locate and precisely target any cells of interest. This procedure can be similarly used for precise light induced activation of proteins, hormones, small molecules and other caged compounds.

Anti-inflammatory and cytotoxic neoflavonoids and benzofurans from Pterocarpus santalinus.

PubMed

Wu, Shou-Fang; Chang, Fang-Rong; Wang, Sheng-Yang; Hwang, Tsong-Long; Lee, Chia-Lin; Chen, Shu-Li; Wu, Chin-Chung; Wu, Yang-Chang

2011-05-27

Five new benzofurans, pterolinuses A-E (1-5), six new neoflavonoids, pterolinuses F-J (8-13), and five known compounds (6, 7, 14-16) were isolated from an extract of Pterocarpus santalinus heartwood. All new structures were elucidated by spectroscopic methods, and configurations were confirmed by CD spectral data and optical rotation values. The isolates were evaluated for anti-inflammatory and cytotoxic activities. Six compounds (1, 2, 4, 6, 7, and 15) showed significant inhibition in at least one anti-inflammatory assay. Compound 2 showed the best selective effect against superoxide anion generation in human neutrophils with, an IC50 value of 0.19 μg/mL, and was 6.2-fold more potent than the positive control LY294002. Compound 14 showed the highest cytotoxicity against Ca9-22 cancer cells, with an IC50 value of 0.46 μg/mL.

Antifungal Monoterpene Derivatives from the Plant Endophytic Fungus Pestalotiopsis foedan.

PubMed

Xu, Dan; Zhang, Bing-Yang; Yang, Xiao-Long

2016-10-01

A new monoterpene lactone, (1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one (1), along with one related known compound, (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (2), were isolated from the liquid culture of the plant endophytic fungus Pestalotiopsis foedan obtained from the branch of Bruguiera sexangula. The structure and absolute configuration of 1 were determined on the basis of extensive analysis of NMR spectra combined with computational methods via calculation of the optical rotation (OR) and 13 C-NMR. Both compounds exhibited strong antifungal activities against Botrytis cinerea and Phytophthora nicotianae with MIC values of 3.1 and 6.3 μg/ml, respectively, which are comparable to those of the known antifungal drug ketoconazole. Compound 2 also showed modest antifungal activity against Candida albicans with a MIC value of 50 μg/ml. © 2016 Wiley-VHCA AG, Zürich.

Application of micro-Raman spectroscopy for fight against terrorism and smuggling

NASA Astrophysics Data System (ADS)

Almaviva, Salvatore; Botti, Sabina; Palucci, Antonio; Puiu, Adriana; Schnürer, Frank; Schweikert, Wenka; Romolo, Francesco Saverio

2014-04-01

We report the results of Raman measurements on some common military explosives and explosives precursors deposited on clothing fabrics, both synthetic and natural, in concentration comparable to those obtained from a single fingerprint or mixed with similar harmless substances to detect illegal compounds for smuggling activities. Raman spectra were obtained using an integrated portable Raman system equipped with an optical microscope and a 785-nm laser in an analysis of <1 min. The spectral features of each illicit substance have been identified and distinguished from those belonging to the substrate fabric or from the interfering compound. Our results show that the application of Raman spectroscopy (RS) with a microscope-based portable apparatus can provide interpretable Raman spectra for a fast, in-situ analysis, directly from explosive particles of some μ, despite the contribution of the substrate, leaving the sample completely unaltered for further, more specific, and propedeutic laboratory analysis. We also show how the RS is suitable for detecting illegal compounds mixed with harmless substances for smuggling purposes or for counterfeiting activities.

Melanogenesis inhibitory activity of a 7-O-9'-linked neolignan from Alpinia galanga fruit.

PubMed

Manse, Yoshiaki; Ninomiya, Kiyofumi; Nishi, Ryosuke; Kamei, Iyori; Katsuyama, Yushi; Imagawa, Takahito; Chaipech, Saowanee; Muraoka, Osamu; Morikawa, Toshio

2016-12-01

An aqueous acetone extract from the fruit of Alpinia galanga (Zingiberaceae) demonstrated inhibitory effects on melanogenesis in theophylline-stimulated murine B16 melanoma 4A5 cells (IC 50 =7.3μg/mL). Through bioassay-guided separation of the extract, a new 7-O-9'-linked neolignan, named galanganol D diacetate (1), was isolated along with 16 known compounds including 14 phenylpropanoids (2-15). The structure of 1, including its absolute stereochemistry in the C-7 position, was elucidated by means of extensive NMR analysis and total synthesis. Among the isolates, 1 (IC 50 =2.5μM), 1'S-1'-acetoxychavicol acetate (2, 5.0μM), and 1'S-1'-acetoxyeugenol acetate (3, 5.6μM) exhibited a relatively potent inhibitory effect without notable cytotoxicity at effective concentrations. The following structural requirements were suggested to enhance the inhibitory activity of phenylpropanoids on melanogenesis: (i) compounds with 4-acetoxy group exhibit higher activity than those with 4-hydroxy group; (ii) 3-methoxy group dose not affect the activity; (iii) acetylation of the 1'-hydroxy moiety enhances the activity; and (iv) phenylpropanoid dimers with the 7-O-9'-linked neolignan skeleton exhibited higher activity than those with the corresponding monomer. Their respective enantiomers [1' (IC 50 =1.9μM) and 2' (4.5μM)] and racemic mixtures [(±)-1 (2.2μM) and (±)-2 (4.4μM)] were found to exhibit melanogenesis inhibitory activities equivalent to those of the naturally occurring optical active compounds (1 and 2). Furthermore, the active compounds 1-3 inhibited tyrosinase, tyrosine-related protein (TRP)-1, and TRP-2 mRNA expressions, which could be the mechanism of melanogenesis inhibitory activity. Copyright © 2016 Elsevier Ltd. All rights reserved.

Elemental composition and optical properties reveal changes in dissolved organic matter along a permafrost thaw chronosequence in a subarctic peatland

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hodgkins, Suzanne B.; Tfaily, Malak M.; Podgorski, David C.

2016-08-01

The fate of carbon stored in permafrost-zone peatlands represents a significant uncertainty in global climate modeling. Given that the breakdown of dissolved organic matter (DOM) is often a major pathway for decomposition in peatlands, knowledge of DOM reactivity under different permafrost regimes is critical for determining future climate feedbacks. To explore the effects of permafrost thaw and resultant plant succession on DOM reactivity, we used a combination of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), UV/Vis absorbance, and excitation-emission matrix spectroscopy (EEMS) to examine the DOM elemental composition and optical properties of 27 pore water samples gathered frommore » various sites along a permafrost thaw sequence in Stordalen Mire, a thawing subarctic peatland in northern Sweden. The presence of dense Sphagnum moss, a feature that is dominant in the intermediate thaw stages, appeared to be the main driver of variation in DOM elemental composition and optical properties at Stordalen. Specifically, DOM from sites with Sphagnum had greater aromaticity, higher average molecular weights, and greater O/C, consistent with a higher abundance of phenolic compounds that likely inhibit decomposition. These compounds are released by Sphagnum and may accumulate due to inhibition of phenol oxidase activity by the acidic pH at these sites. In contrast, sites without Sphagnum, specifically fully-thawed rich fens, had more saturated, more reduced compounds, which were high in N and S. Optical properties at rich fens were indicated the presence of microbially-derived DOM, consistent with the higher decomposition rates previously measured at these sites. These results indicate that Sphagnum acts as an inhibitor of rapid decomposition and CH4 release in thawing subarctic peatlands, consistent with lower rates of CO2 and CH4 production previously observed at these sites. However, this inhibitory effect may disappear if Sphagnumdominated bogs transition to more waterlogged rich fens that contain very little to no living Sphagnum. Release of this inhibition allows for higher levels of microbial activity and potentially greater CH4 release, as has been observed in these fen sites.« less

Elemental composition and optical properties reveal changes in dissolved organic matter along a permafrost thaw chronosequence in a subarctic peatland

NASA Astrophysics Data System (ADS)

Hodgkins, Suzanne B.; Tfaily, Malak M.; Podgorski, David C.; McCalley, Carmody K.; Saleska, Scott R.; Crill, Patrick M.; Rich, Virginia I.; Chanton, Jeffrey P.; Cooper, William T.

2016-08-01

The fate of carbon stored in permafrost-zone peatlands represents a significant uncertainty in global climate modeling. Given that the breakdown of dissolved organic matter (DOM) is often a major pathway for decomposition in peatlands, knowledge of DOM reactivity under different permafrost regimes is critical for determining future climate feedbacks. To explore the effects of permafrost thaw and resultant plant succession on DOM reactivity, we used a combination of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), UV/Vis absorbance, and excitation-emission matrix spectroscopy (EEMS) to examine the DOM elemental composition and optical properties of 27 pore water samples gathered from various sites along a permafrost thaw sequence in Stordalen Mire, a thawing subarctic peatland in northern Sweden. The presence of dense Sphagnum moss, a feature that is dominant in the intermediate thaw stages, appeared to be the main driver of variation in DOM elemental composition and optical properties at Stordalen. Specifically, DOM from sites with Sphagnum had greater aromaticity, higher average molecular weights, and greater O/C, consistent with a higher abundance of phenolic compounds that likely inhibit decomposition. These compounds are released by Sphagnum and may accumulate due to inhibition of phenol oxidase activity by the acidic pH at these sites. In contrast, sites without Sphagnum, specifically fully-thawed rich fens, had more saturated, more reduced compounds, which were high in N and S. Optical properties at rich fens indicated the presence of microbially-derived DOM, consistent with the higher decomposition rates previously measured at these sites. These results indicate that Sphagnum acts as an inhibitor of rapid decomposition and CH4 release in thawing subarctic peatlands, consistent with lower rates of CO2 and CH4 production previously observed at these sites. However, this inhibitory effect may disappear if Sphagnum-dominated bogs transition to more waterlogged rich fens that contain very little to no living Sphagnum. Release of this inhibition allows for higher levels of microbial activity and potentially greater CH4 release, as has been observed in these fen sites.

Optical and thermal charge-transfer processes occurring in a series of three-centered, cyanide-bridged intervalent charge-transfer complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pfennig, B.W.; Bocarsly, A.B.

1992-01-09

The mixed-valent compound (Pt(NH{sub 3}){sub 4}){sub 2}((NC){sub 5}Fe-CN-Pt(NH{sub 3}){sub 4}-NC-Fe(CN){sub 5} was used as the starting point for the synthesis and characterization of two series of trinuclear {open_quotes}M-Pt-M{close_quotes} compounds. The first group of complexes have the general formula Na{sub 2}(L(NC){sub 4}Fe-CN-Pt(NH{sub 3}){sub 4}-NC-Fe(CN){sub 4}L) (where the sixth coordination site on the terminal iron units has been varied using six different substituted pyridine or pyrazine ligands, L), and the secondary group of compounds have the general formula (Pt(NH){sub 3}){sub 4}){sub 2}((NC){sub 5}M-CN-Pt(NH{sub 3}){sub 4}-NC-M(CN){sub 5}) (where M = Fe, Ru, and Os). All of the compounds yielded an absorption spectrum containingmore » an intervalent charge-transfer (IT) band in the visible. Both series of complexes were modeled using Marcus-Hush theory to estimate the reorganization energies for the optical electron-transfer processes, electron-transfer rate constants, thermal-activation barriers, and the degrees of delocalization of these species. In addition, the kinetics of formation, photochemical decomposition, and a novel solvent-gated charge-transfer process are discussed. 26 refs., 10 figs., 4 tabs.« less

Vapor-phase infrared spectroscopy on solid organic compounds with a pulsed resonant photoacoustic detection scheme

NASA Astrophysics Data System (ADS)

Bartlome, Richard; Fischer, Cornelia; Sigrist, Markus W.

2005-08-01

There is a great need for a low cost and sensitive method to measure infrared spectra of solid organic compounds in the gas phase. To record such spectra, we propose an optical parametric generator-based photoacoustic spectrometer, which emits in the mid-infrared fingerprint region between 3 and 4 microns. In this system, the sample is heated in a vessel before entering a home built photoacoustic cell, where the gaseous molecules are excited by a tunable laser source with a frequency repetition rate that matches the first longitudinal resonance frequency of the photocaoustic cell. In a first phase, we have focused on low-melting point stimulants such as Nikethamide, Mephentermine sulfate, Methylephedrine, Ephedrine and Pseudoephedrine. The vapor-phase spectra of these doping substances were measured between 2800 and 3100 cm-1, where fundamental C-H stretching vibrations take place. Our spectra show notable differences with commercially available condensed phase spectra. Our scheme enables to measure very low vapor pressures of low-melting point (<160 °C) solid organic compounds. Furthermore, the optical resolution of 8 cm-1 is good enough to distinguish closely related chemical structures such as the Ephedra alkaloids Ephedrine and Methylephedrine, but doesn't allow to differentiate diastereoisomeric pairs such as Ephedrine and Pseudoephedrine, two important neurotransmitters which reveal different biological activities. Therefore, higher resolution and a system capable of measuring organic compounds with higher melting points are required.

Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations.

PubMed

Elleuch, Nabil; Ben Ahmed, Ali; Feki, Habib; Abid, Younes; Minot, Christian

2014-01-01

In this work, we report a combined experimental and theoretical study of a nonlinear optical material, L-Phenylalanine L-Phenylalaninium Perchlorate. Single crystals of the title compound have been grown by slow evaporation of an aqueous solution at room temperature. Theoretical calculations were preceded by redetermination of the crystal X-ray structure. The compound crystallizes in the non-centro symmetric space group P2(1)2(1)2(1) of the orthorhombic system. The FT-IR and Raman spectra of the crystal were recorded and analyzed. The density functional theory (DFT) computations have been performed at B3LYP/6-31G(d) level to derive equilibrium geometry, vibrational wavenumbers, intensity and NLO properties. All observed vibrational bands have been discussed and assigned to normal mode or to combinations on the basis of our DFT calculations as a primary source of attribution and also by comparison with the previous results for similar compounds. Natural bond orbital analysis was carried out to demonstrate the various inter-and intramolecular interaction that are responsible of the stabilization of the compound. The lowering of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy gap appears to be the cause of its enhanced charge transfer interaction leading to high NLO activity. Copyright © 2013 Elsevier B.V. All rights reserved.

Influence of Ca2+ doped on structural and optical properties of RPO4 (R = Ce3+, Nd3+ and Pr3+) compounds

NASA Astrophysics Data System (ADS)

Lemdek, El Mokhtar; Benkhouja, Khalil; Touhtouh, Samira; Sbiaai, Khalid; Arbaoui, Abdezzahid; Bakasse, Mina; Hajjaji, Abdelowahed; Boughaleb, Yahia; Saez-Puche, Regino

2013-11-01

This paper investigates the effect of doping by Ca2+ ions on the structural and optical properties of RPO4 (R = Ce3+, Nd3+ and Pr3+) compounds. A simple ceramic method in air at 900 °C was used to prepare all compounds. The structural characterization of compounds was carried out by using X-ray powder diffraction (XRD) and IR spectroscopy. Optical properties were characterized by reflectance spectral data and by colorimeter. The results reveal a single monazite phase for x values up to 0.4. The lattice parameters of the synthesized samples decrease linearly with the reduction of ionic radius of the Ce3+. These rare earth phosphates based materials have a potential to be adopted for the eco-friendly colorants for paints and plastics.

Noninvasive label-free monitoring of cosmetics and pharmaceuticals in human skin using nonlinear optical microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Osseiran, Sam; Wang, Hequn; Evans, Conor L.

2017-02-01

Over the past decade, nonlinear optical microscopy has seen a dramatic rise in its use in research settings due to its noninvasiveness, enhanced penetration depth, intrinsic optical sectioning, and the ability to probe chemical compounds with molecular specificity without exogenous contrast agents. Nonlinear optical techniques including two-photon excitation fluorescence (2PEF), fluorescence lifetime imaging microscopy (FLIM), second harmonic generation (SHG), coherent anti-Stokes and stimulated Raman scattering (CARS and SRS, respectively), as well as transient and sum frequency absorption (TA and SFA, respectively), have been widely used to explore the physiology and microanatomy of skin. Recently, these modalities have shed light on dermal processes that could not have otherwise been observed, including the spatiotemporal monitoring of cosmetics and pharmaceuticals. However, a challenge quickly arises when studying such chemicals in a dermatological context: many exogenous compounds have optical signatures that can interfere with the signals that would otherwise be acquired from intact skin. For example, oily solvents exhibit strong signals when probing CH2 vibrations with CARS/SRS; chemical sun filters appear bright in 2PEF microscopy; and darkly colored compounds readily absorb light across a broad spectrum, producing strong TA/SFA signals. Thus, this discussion will first focus on the molecular contrast in skin that can be probed using the aforementioned nonlinear optical techniques. This will be followed by an overview of strategies that take advantage of the exogenous compounds' optical signatures to probe spatiotemporal dynamics while preserving endogenous information from skin.

Enantio-selective optrode for optical isomers of biologically active amines using a new lipophilic aromatic carrier

NASA Astrophysics Data System (ADS)

He, Huarui; Uray, Georg; Wolfbeis, Otto S.

1991-09-01

This paper presents a method for optically sensing enantiomers (optical isomers) of biological amines such as norephedrine, and drugs such as the (Beta) -blocker propranolol. It is based on the use of a new lipophilic aromatic ammonium ion carrier (DODD) and a highly fluorescent lipophilic proton carrier (DZ 49) dissolved in a pvc membrane. Recognition of one of the enantiomers is accomplished by specific interaction of the amine with the optically active lipophilic substrate in a pvc membrane. The amine, which is present as an ammonium ion at physiological pH, is carried into the pvc membranes. Simultaneously, a proton is released from the proton carrier (a lipophilic xanthene dye) that thereby undergoes a change in both color and fluorescence intensity. The sensors respond to three analytes in the concentration range from 0.01 to 10 mM for propranolol, 0.3 to 100 mM for norephedrine, and 1 to 100 mM for 1-phenylethylamine. The selectivity coefficients (Kopt) are 0.8, 0.7, and 0.8 for propranolol, norephedrine,a nd 1-phenylethylamine, respectively. It is of potential utility for specifically recognizing one out of several isomers, in particular bioactive amines, where one form usually is active only. The carrier showed stronger affinity for compounds which contain naphthyl rather than phenyl substituents.

Unsymmetrical and symmetrical azines toward application in organic photovoltaic

NASA Astrophysics Data System (ADS)

Jarczyk-Jedryka, Anna; Bijak, Katarzyna; Sek, Danuta; Siwy, Mariola; Filapek, Michal; Malecki, Grzegorz; Kula, Slawomir; Lewinska, Gabriela; Nowak, Elzbieta M.; Sanetra, Jerzy; Janeczek, Henryk; Smolarek, Karolina; Mackowski, Sebastian; Schab-Balcerzak, Ewa

2015-01-01

The unsymmetrical and symmetrical azines prepared by condensation of benzophenone hydrazone with (di)aldehydes with thiophene rings were reported in this study The structures of obtained compounds were characterized by FTIR, 1H NMR, and 13C NMR spectroscopy as well as elemental analysis. Optical, electrochemical, and thermal properties of azines were investigated. The unsymmetrical azine with bithiophene unit exhibited liquid crystalline properties as was detected by DSC and POM experiments. All compounds are electrochemically active, however, only azines with bithiophene structure undergo reversible reduction process as was found in cyclic and differential pulse voltammetry (CV and DPV) studies. Additionally, the electronic properties, that is, orbital energies and resulting energy gap were calculated theoretically by density functional theory (DFT). The photovoltaic properties of two azines as active layer in organic solar cells at the configuration ITO/PEDOT:PSS/active layer/Al under an illumination of 1.3 mW/cm2 were studied. Active cell layers blends of poly 3-hekxylthiophene (P3HT) or poly 3-butylthiophene (P3OT) with azines were applied. The device comprising P3HT with symmetrical azine containing bithiophene unit showed the highest value of power conversion efficiency (0.82%). To the best of our knowledge, the azines are very seldom considered as potential compounds in active layer in bulk heterojunction (BHJ) solar cells.

Growth, spectral, thermal, dielectric, mechanical, linear and nonlinear optical, birefringence, laser damage threshold studies of semi-organic crystal: dibrucinium sulfate heptahydrate.

PubMed

Krishnan, P; Gayathri, K; Bhagavannarayana, G; Jayaramakrishnan, V; Gunasekaran, S; Anbalagan, G

2013-08-01

Dibrucinium sulfate heptahydrate (DBSH), a semi-organic nonlinear optical material, has been synthesized and single crystals were grown from water-ethanol solution at room temperature up to dimensions of 10×7×2 mm(3). The unit cell parameters were determined from single crystal and powder X-ray diffraction studies. The structural perfection of the grown crystal has been analyzed by high-resolution X-ray diffraction (HRXRD) study. FTIR and Raman studies were performed to identify the functional groups present in the title compound. The activation energy (E), entropy (ΔS), enthalpy (ΔH) and Gibbs free energy (ΔG), of the thermal decomposition reaction have been derived from thermo gravimetric (TGA) and differential thermal (DTA) analysis curves, using Coats-Redfern method. The variation of dielectric properties of the grown crystal with respect to frequency has been investigated at different temperatures. Microhardness measurements revealed the mechanical strength of grown crystal. The optical parameters, the optical band gap E(g) and width of localized states Eu were determined using the transmittance data in the spectral range 200-800 nm. The relative second harmonic efficiency of the compound is found to be 1.4 times greater than that of KDP. Birefringence and Laser damage threshold studies were carried out for the grown crystal. Copyright © 2013 Elsevier B.V. All rights reserved.

3D printing of optical materials: an investigation of the microscopic properties

NASA Astrophysics Data System (ADS)

Persano, Luana; Cardarelli, Francesco; Arinstein, Arkadii; Uttiya, Sureeporn; Zussman, Eyal; Pisignano, Dario; Camposeo, Andrea

2018-02-01

3D printing technologies are currently enabling the fabrication of objects with complex architectures and tailored properties. In such framework, the production of 3D optical structures, which are typically based on optical transparent matrices, optionally doped with active molecular compounds and nanoparticles, is still limited by the poor uniformity of the printed structures. Both bulk inhomogeneities and surface roughness of the printed structures can negatively affect the propagation of light in 3D printed optical components. Here we investigate photopolymerization-based printing processes by laser confocal microscopy. The experimental method we developed allows the printing process to be investigated in-situ, with microscale spatial resolution, and in real-time. The modelling of the photo-polymerization kinetics allows the different polymerization regimes to be investigated and the influence of process variables to be rationalized. In addition, the origin of the factors limiting light propagation in printed materials are rationalized, with the aim of envisaging effective experimental strategies to improve optical properties of printed materials.

Device for aqueous detection of nitro-aromatic compounds

DOEpatents

Reagen, W.K.; Schulz, A.L.; Ingram, J.C.; Lancaster, G.D.; Grey, A.E.

1994-04-26

This invention relates to a compact and portable detection apparatus for nitro-aromatic based chemical compounds, such as nitrotoluenes, dinitrotoluenes, and trinitrotoluene (TNT). The apparatus is based upon the use of fiber optics using filtered light. The preferred process of the invention relies upon a reflective chemical sensor and optical and electronic components to monitor a decrease in fluorescence when the nitro-aromatic molecules in aqueous solution combine and react with a fluorescent polycyclic aromatic compound. 4 figures.

Device for aqueous detection of nitro-aromatic compounds

DOEpatents

Reagen, William K.; Schulz, Amber L.; Ingram, Jani C.; Lancaster, Gregory D.; Grey, Alan E.

1994-01-01

This invention relates to a compact and portable detection apparatus for ro-aromatic based chemical compounds, such as nitrotoluenes, dinitrotoluenes, and trinitrotoluene (TNT). The apparatus is based upon the use of fiber optics using filtered light. The preferred process of the invention relies upon a reflective chemical sensor and optical and electronic components to monitor a decrease in fluorescence when the nitro-aromatic molecules in aqueous solution combine and react with a fluorescent polycyclic aromatic compound.

Broadband light-emitting diode

DOEpatents

Fritz, Ian J.; Klem, John F.; Hafich, Michael J.

1998-01-01

A broadband light-emitting diode. The broadband light-emitting diode (LED) comprises a plurality of III-V compound semiconductor layers grown on a semiconductor substrate, with the semiconductor layers including a pair of cladding layers sandwiched about a strained-quantum-well active region having a plurality of different energy bandgaps for generating light in a wavelength range of about 1.3-2 .mu.m. In one embodiment of the present invention, the active region may comprise a first-grown quantum-well layer and a last-grown quantum-well layer that are oppositely strained; whereas in another embodiment of the invention, the active region is formed from a short-period superlattice structure (i.e. a pseudo alloy) comprising alternating thin layers of InGaAs and InGaAlAs. The use a short-period superlattice structure for the active region allows different layers within the active region to be simply and accurately grown by repetitively opening and closing one or more shutters in an MBE growth apparatus to repetitively switch between different growth states therein. The broadband LED may be formed as either a surface-emitting LED or as an edge-emitting LED for use in applications such as chemical sensing, fiber optic gyroscopes, wavelength-division-multiplexed (WDM) fiber-optic data links, and WDM fiber-optic sensor networks for automobiles and aircraft.

Broadband light-emitting diode

DOEpatents

Fritz, I.J.; Klem, J.F.; Hafich, M.J.

1998-07-14

A broadband light-emitting diode is disclosed. The broadband light-emitting diode (LED) comprises a plurality of III-V compound semiconductor layers grown on a semiconductor substrate, with the semiconductor layers including a pair of cladding layers sandwiched about a strained-quantum-well active region having a plurality of different energy bandgaps for generating light in a wavelength range of about 1.3--2 {micro}m. In one embodiment of the present invention, the active region may comprise a first-grown quantum-well layer and a last-grown quantum-well layer that are oppositely strained; whereas in another embodiment of the invention, the active region is formed from a short-period superlattice structure (i.e. a pseudo alloy) comprising alternating thin layers of InGaAs and InGaAlAs. The use a short-period superlattice structure for the active region allows different layers within the active region to be simply and accurately grown by repetitively opening and closing one or more shutters in an MBE growth apparatus to repetitively switch between different growth states therein. The broadband LED may be formed as either a surface-emitting LED or as an edge-emitting LED for use in applications such as chemical sensing, fiber optic gyroscopes, wavelength-divisionmultiplexed (WDM) fiber-optic data links, and WDM fiber-optic sensor networks for automobiles and aircraft. 10 figs.

An artificial elementary eye with optic flow detection and compositional properties.

PubMed

Pericet-Camara, Ramon; Dobrzynski, Michal K; Juston, Raphaël; Viollet, Stéphane; Leitel, Robert; Mallot, Hanspeter A; Floreano, Dario

2015-08-06

We describe a 2 mg artificial elementary eye whose structure and functionality is inspired by compound eye ommatidia. Its optical sensitivity and electronic architecture are sufficient to generate the required signals for the measurement of local optic flow vectors in multiple directions. Multiple elementary eyes can be assembled to create a compound vision system of desired shape and curvature spanning large fields of view. The system configurability is validated with the fabrication of a flexible linear array of artificial elementary eyes capable of extracting optic flow over multiple visual directions. © 2015 The Author(s).

A compact two-wave dichrometer of an optical biosensor analytical system for medicine

NASA Astrophysics Data System (ADS)

Chulkov, D. P.; Gusev, V. M.; Kompanets, O. N.; Vereschagin, F. V.; Skuridin, S. G.; Yevdokimov, Yu. M.

2017-01-01

An experimental model has been developed of a compact two-wave dichrometer on the base of LEDs that is well-suited to work with "liquid" DNA nanoconstructions as biosensing units. The mobile and inexpensive device is intended for use in a biosensor analytical system for rapid determination of biologically active compounds in liquids to solve practical problems of clinic medicine and pharmacology.

Organic solid state optical switches and method for producing organic solid state optical switches

DOEpatents

Wasielewski, M.R.; Gaines, G.L.; Niemczyk, M.P.; Johnson, D.G.; Gosztola, D.J.; O`Neil, M.P.

1993-01-01

This invention consists of a light-intensity dependent molecular switch comprised of a compound which shuttles an electron or a plurality of electrons from a plurality of electron donors to an electron acceptor upon being stimulated with light of predetermined wavelengths, and a method for making said compound.

Crystal packing, high-temperature phase transition, second-order nonlinear optical and biological activities in a hybrid material: [(S)sbnd C7H16N2][CuBr4

NASA Astrophysics Data System (ADS)

Hadj Sadok, Ines Ben; Hajlaoui, Fadhel; Ayed, Hanen Ben; Ennaceur, Nasreddine; Nasri, Moncef; Audebrand, Nathalie; Bataille, Thierry; Zouari, Nabil

2018-09-01

The directed synthesis of non-centrosymmetric copper (II) bromo-complex has been achieved through the use of homochiral organic molecule. Reaction containing (S)-(-)-3-aminoquinuclidine, CuBr2, HBr and H2O were subjected to mild hydrothermal conditions, resulting in the growth of single crystals of [(S)sbnd C7H16N2][CuBr4]. The compound crystallizes in the non polar space group P212121(No. 19), which exhibits the enantiomorphic crystal class 222 (D2). In the crystal structure, the tetrabromocuprate(II) anion is connected to three organic cations through Nsbnd H…Br hydrogen bonds to form cation-anion-cation molecular units, which are held together by means of offset face-to-face interactions to give one-dimensional chains. DSC measurements indicated that the compound [(S)sbnd C7H16N2][CuBr4] underwent a reversible phase transition at 80 °C. [(S)sbnd C7H16N2][CuBr4] is more than 1.2 times as efficient as KDP in second harmonic generation; making it a potentially attractive material for non-linear optical applications. The synthesized product was also screened for in vitro antioxidant and antimicrobial activities, while showing favorable antioxidant activities against DPPH as well as the discoloration of β-carotene.

A comparative study of optical concentrators for visible light communications

NASA Astrophysics Data System (ADS)

Mulyawan, Rahmat; Gomez, Ariel; Chun, Hyunchae; Rajbhandari, Sujan; Manousiadis, Pavlos P.; Vithanage, Dimali A.; Faulkner, Grahame; Turnbull, Graham A.; Samuel, Ifor D. W.; Collins, Stephen; O'Brien, Dominic

2017-01-01

Given the imminent radio frequency spectrum crunch, Visible Light Communication (VLC) is being proposed as an alternative wireless technology allowing for scalable connectivity to potentially millions of mobile and Internet-of- Things (IoT) devices. A VLC system uses a photo-detector (PD) receiver that converts the optically modulated light from a light source into a modulated electrical signal. The corresponding receiver electrical bandwidth is typically inversely proportional to the PD active area. Consequently, to construct a high-speed VLC link, the PD active area is often substantially reduced and an optical concentrator is used to enhance the receiver collection area. However, to achieve high concentrating factor, the link field-of-view (FOV) needs to be narrow due to the étendue conservation in linear passive optical systems. This paper studies a Fluorescent Concentrator (FC) that breaks this étendue conservation. The FC is not only based on reflective and refractive principles but also makes use of fluorescence process. A comparison between the FC and conventional optical concentrators, namely Compound Parabolic Concentrator (CPC) is also investigated. The trade-off between received signal strength and incoming link angle is demonstrated over 60° coverage. Experimental results show that performance degradation as the link angle increases using FC-based receivers is significantly lower than for conventional CPC.

Investigation of third-order nonlinear and optical power limiting properties of terphenyl derivatives

NASA Astrophysics Data System (ADS)

Kamath, Laxminarayana; Manjunatha, K. B.; Shettigar, Seetharam; Umesh, G.; Narayana, B.; Samshuddin, S.; Sarojini, B. K.

2014-03-01

A series of new chalcones containing terphenyl as a core and with different functional groups has been successfully synthesized by Claisen-Schmidt condensation method in search of new nonlinear optical (NLO) materials. Molecular structural characterization for the compounds was achieved by FTIR and single crystal X-ray diffraction. The third-order NLO absorption and refraction coefficients were simultaneously determined by Z-scan technique. The measurements were performed at 532 nm with 7 ns laser pulses using a Nd:YAG laser in solution form. The Z-scan experiments reveal that the compounds exhibit strong nonlinear refraction coefficient of the order 10-11 esu and the molecular two photon absorption cross section is 10-46 cm4 s/photon. The results also show that the structures of the compounds have great impact on NLO properties. The compounds show optical power limiting behavior due to two-photon absorption (TPA).

Electronic structure and optical properties of GdNi2Mnx compounds

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Lukoyanov, A. V.; Kuz'min, Yu. I.; Gaviko, V. S.

2018-02-01

The electronic structure and optical properties of GdNi2Mnx compounds (x = 0, 0.4, 0.6) were investigated. Spin-polarized electronic structure calculations were performed in the approximation of local electron spin density corrected for strong electron correlations using the LSDA+U method. The changes in the magnetic moments and exchange interactions in GdNi2Mnx (x = 0, 0.4, 0.6) governing the increase in the Curie temperature with manganese concentration were determined. The optical constants of the compounds were measured by the ellipsometric method in the wide spectral range of 0.22-15 μm. The peculiarities of the evolution of the frequency dependences of optical conductivity with a change in the manganese content were revealed. Based on the calculated densities of electron states, the behavior of these dispersion curves in the region of interband absorption of light was discussed. The concentration dependences of several electronic characteristics were determined.

Dielectric compound parabolic concentrating solar collector with a frustrated total internal reflection absorber.

PubMed

Hull, J R

1989-01-01

Coupling a dielectric compound parabolic concentrator (DCPC) to an absorber across a vacuum gap by means of frustrated total internal reflection (FTIR) can theoretically approach the maximum concentration permitted by physical laws, thus allowing higher radiative fluxes in thermal applications. The calculated optical performance of 2-D DCPCs with FTIR absorbers indicates that the ratio of gap thickness to optical wavelength must be <0.22 before the optical performance of the DCPC is superior to that of the nondielectric CPC.

Spectrophotometric, voltammetric and cytotoxicity studies of 2-hydroxy-5-methoxyacetophenone thiosemicarbazone and its N(4)-substituted derivatives: A combined experimental-computational study

NASA Astrophysics Data System (ADS)

Akgemci, Emine Guler; Saf, Ahmet Ozgur; Tasdemir, Halil Ugur; Türkkan, Ercan; Bingol, Haluk; Turan, Suna Ozbas; Akkiprik, Mustafa

2015-02-01

In this study, 2-hydroxy-5-methoxyacetophenone thiosemicarbazone (HMAT) and its novel N(4) substituted derivatives were synthesized and characterized by different techniques. The optical band gap of the compounds and the energy of HOMO were experimentally examined by UV-vis spectra and cyclic voltammetry measurements, respectively. Furthermore, the conformational spaces of the compounds were scanned with molecular mechanics method. The geometry optimization, HOMO and LUMO energies, the energy gap of the HOMO-LUMO, dipole moment of the compounds were theoretically calculated by the density functional theory B3LYP/6-311++G(d,p) level. The minimal electronic excitation energy and maximum wavelength calculations of the compounds were also performed by TD-DFT//B3LYP/6-311++G(d,p) level of theory. Theoretically calculated values were compared with the related experimental values. The combined results exhibit that all compounds have good electron-donor properties which affect anti-proliferative activity. The cytotoxic effects of the compounds were also evaluated against HeLa (cervical carcinoma), MCF-7 (breast carcinoma) and PC-3 (prostatic carcinoma) cell lines using the standard MTT assay. All tested compounds showed antiproliferative effect having IC50 values in different range. In comparison with that of HMAT, it was obtained that while ethyl group on 4(N)-substituted position decreased in potent anti-proliferative effect, the phenyl group on the position increased in anti-proliferative effect for the tested cancer cell line. Considering the molecular energy parameters, the cytotoxicity activities of the compounds were discussed.

Antiprotozoal glutathione derivatives with flagellar membrane binding activity against T. brucei rhodesiense.

PubMed

Daunes, Sylvie; Yardley, Vanessa; Croft, Simon L; D'Silva, Claudius

2017-02-15

A new series of N-substituted S-(2,4-dinitrophenyl)glutathione dibutyl diesters were synthesized to improve in vitro anti-protozoal activity against the pathogenic parasites Trypanosoma brucei rhodesiense, Trypanosoma cruzi and Leishmania donovani. The results obtained indicate that N-substituents enhance the inhibitory properties of glutathione diesters whilst showing reduced toxicity against KB cells as in the cases of compounds 5, 9, 10, 16, 18 and 19. We suggest that the interaction of N-substituted S-(2,4-dinitrophenyl) glutathione dibutyl diesters with T. b. brucei occurs mainly by weak hydrophobic interactions such as London and van der Waals forces. A QSAR study indicated that the inhibitory activity of the peptide is associated negatively with the average number of C atoms, N C and positively to S ZX, the ZX shadow a geometric descriptor related to molecular size and orientation of the compound. HPLC-UV studies in conjunction with optical microscopy indicate that the observed selectivity of inhibition of these compounds against bloodstream form T. b. brucei parasites in comparison to L. donovani under the same conditions is due to intracellular uptake via endocytosis in the flagellar pocket. Copyright © 2016. Published by Elsevier Ltd.

Optical properties of some modified plant compound after 662 keV gamma radiation

NASA Astrophysics Data System (ADS)

Mir, Feroz A.; Rather, Sajad A.; Wani, Ishfaq A.; Banday, Javid A.; Khan, Shoukat H.

2014-11-01

Plant-isolated compounds, Osthol [7-methoxy-8-(3-methylbut-2-enyl) coumarin], were subjected to modification in the isopentenyl side chain to get an aldehyde of 2-methyl-4 (7-methoxy-2-oxo-2H-chromen-8-yl)-but-2-en-1-al. This modified compound was exposed to γ-radiation produced by 137Cs source at room temperature. Pre- and post-irradiation study was carried out by ultraviolet-visible spectroscopy. The compound shows a sharp absorption peak at 322 nm. This observed absorption band decreases with irradiation up to a certain dose and then increases with a further increase in the radiation dose. This compound exhibits almost a linear response up to 7 Gy. From the optical data analysis, this compound follows indirect allowed transition and the optical gap was found around 3.58 eV. The systematic decrease in the band gap was found with an increase in the radiation dose. Urbach energy is also found to decrease with radiation. This parameter gives a clear indication of the defects and free radical created in the system after irradiation. The present features shown by this compound may be exploited as sensitive dosimeter in 0-7 Gy γ-radiation environment.

Lithium-containing scintillators for thermal neutron, fast neutron, and gamma detection

DOEpatents

Zaitseva, Natalia P.; Carman, M. Leslie; Faust, Michelle A.

2016-03-01

In one embodiment, a scintillator includes a scintillator material; a primary fluor, and a Li-containing compound, where the Li-containing compound is soluble in the primary fluor, and where the scintillator exhibits an optical response signature for thermal neutrons that is different than an optical response signature for fast neutrons and gamma rays.

Comments on the papers recently published by M.M. Khandpekar et al.

NASA Astrophysics Data System (ADS)

Petrosyan, A. M.; Ghazaryan, V. V.; Fleck, M.

2011-09-01

It is argued that the existence of the new compounds of glycine recently reported by M.M. Khandpekar et al. (Optics Commun. 284(2011) 1583 and Optics Commun. 284(2011) 1578) is dubious. We argue that these compounds are not what the authors propose. In addition, two more similar cases are indicated.

Optical Computing, 1991, Technical Digest Series, Vol. 6

DTIC Science & Technology

1992-05-22

lasers). Compound semiconductors may satisfy these requirements. For example, optical signal amplification by two-beam coupling and amplified phase... compound semiconductors can provide this type of implementationi. This paper presents results from a detailed investigation on potentials of the...conductivity to achieve high multichannel cell performance. We describe several high performance Gallium Phosphide multichannel Bragg cells which employ these

Design, synthesis and nonlinear optical properties of (E)-1-(4-substituted)-3-(4-hydroxy-3-nitrophenyl) prop-2-en-1-one compounds

NASA Astrophysics Data System (ADS)

Saha, Amrita; Shukla, Vijay; Choudhury, Sudip; Jayabalan, J.

2016-06-01

A new series of (E)-1-(4-substituted)-3-(4-hydroxy-3-nitrophenyl) prop-2-en-1-one compounds have been synthesized by Claisen-Schmidt condensation reaction. Nonlinear optical characterization were carried out using z-scan technique with nanosecond pulses. These samples are found to exhibit strong nonlinear absorption at 532 nm and the nonlinear absorption coefficient of these samples exponentially increases with the increase of phonon characteristic energy. This relation speaks the role of phonon in the origin of nonlinear absorption in these compounds. The reported dependence of optical nonlinearity of the chalcone derivatives on the phonon characteristic energy will help in designing similar class of new molecules with high nonlinear coefficients.

Bio-inspired hemispherical compound eye camera

NASA Astrophysics Data System (ADS)

Xiao, Jianliang; Song, Young Min; Xie, Yizhu; Malyarchuk, Viktor; Jung, Inhwa; Choi, Ki-Joong; Liu, Zhuangjian; Park, Hyunsung; Lu, Chaofeng; Kim, Rak-Hwan; Li, Rui; Crozier, Kenneth B.; Huang, Yonggang; Rogers, John A.

2014-03-01

Compound eyes in arthropods demonstrate distinct imaging characteristics from human eyes, with wide angle field of view, low aberrations, high acuity to motion and infinite depth of field. Artificial imaging systems with similar geometries and properties are of great interest for many applications. However, the challenges in building such systems with hemispherical, compound apposition layouts cannot be met through established planar sensor technologies and conventional optics. We present our recent progress in combining optics, materials, mechanics and integration schemes to build fully functional artificial compound eye cameras. Nearly full hemispherical shapes (about 160 degrees) with densely packed artificial ommatidia were realized. The number of ommatidia (180) is comparable to those of the eyes of fire ants and bark beetles. The devices combine elastomeric compound optical elements with deformable arrays of thin silicon photodetectors, which were fabricated in the planar geometries and then integrated and elastically transformed to hemispherical shapes. Imaging results and quantitative ray-tracing-based simulations illustrate key features of operation. These general strategies seem to be applicable to other compound eye devices, such as those inspired by moths and lacewings (refracting superposition eyes), lobster and shrimp (reflecting superposition eyes), and houseflies (neural superposition eyes).

Effect of Varying Pnictogen Elements (Pn=N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZn2Pn2

NASA Astrophysics Data System (ADS)

Murtaza, G.; Yousaf, N.; Laref, A.; Yaseen, M.

2018-03-01

Pnictogen-based Zintl compounds have fascinating properties. Nowadays these compounds have gained exceptional interest in thermoelectric and optoelectronic fields. Therefore, in this work the structural, electronic and optical properties of SrZn2Pn2 (Pn=N, P, As, Sb, Bi) compounds were studied using state-of-the-art density functional theory. The optimised lattice parameters (ɑ, c, c/ɑ and bond lengths) are consistent with the experimental results. The bulk moduli and c/a showed a decrease when changing the Pnictogen (Pn) anion from N to Bi in SrZn2Pn2 (Pn=N, P, As, Sb, Bi). The modified Becke-Johnson potential is used for band structure calculations. All compounds show semiconducting behaviour except SrZn2Bi2, which is metallic. Pn-p, Zn-d and Sr-d play an important role in defining the electronic structure of the compounds. The optical conductivity and absorption coefficient strength are high in visible and ultraviolet regions. These band structures and optical properties clearly show that SrZn2Pn2 compounds are potential candidates in the fields of optoelectronic and photonic devices.

Determination of Henry`s law constants by equilibrium partitioning in a closed system using a new in situ optical absorbance method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allen, J.M.; Balcavage, W.X.; Ramachandran, B.R.

Currently, a great deal of interest exists in developing quantitative descriptions of the transport behavior for organic chemical compounds in the environment. Transport between water and air is of particular significance in this regard. A new method for measurement of thermodynamic Henry`s law constants (H) is reported. In this method, the optical absorbance of a dilute aqueous solution containing an organic compound is followed with time as the compound partitions into the air above the solution in a sealed vessel. The change in optical absorbance and the vapor to liquid volume ratio of the vessel are then used to calculatemore » the value for H. The concentration of the organic compound in the aqueous and vapor phases need not be known. This method allows the approach to equilibrium to be observed in real time so that attainment of equilibrium is readily apparent. This method works particularly well for water-soluble compounds having low vapor pressures. The applicability of this method is limited to compounds that exhibit significant optical absorbance in the ultraviolet and visible regions of the electromagnetic spectrum. Values for H and their temperature dependencies measured using this new method are reported for methacrolein, methyl vinyl ketone, benzaldehyde, and acetophenone. Values for H are also reported for benzene, toluene, and ethylbenzene at 298 K. All reported H data are compared with previously reported values.« less

An Optically Isotropic Antiferroelectric Liquid Crystal (OI-AFLC) Display Mode Operating over a Wide Temperature Range using Ternary Bent-Core Liquid Crystal Mixtures

DOE PAGES

Bergquist, Leah; Zhang, Cuiyu; Ribeiro de Almeida, Roberta R.; ...

2017-02-07

Here, we report on the synthesis and characterization of bent-core liquid crystal (LC) compounds and the preparation of mixtures that provide an optically isotropic antiferroelectric (OI-AFLC) liquid crystal display mode over a very wide temperature interval and well below room temperature. From the collection of compounds synthesized during this study, we recognized that several ternary mixtures displayed a modulated SmC aP A phase down to below -40 °C and up to about 100 °C on both heating and cooling, as well as optical tilt angles in the transformed state of approximately 45° (optically isotropic state). The materials were fully characterizedmore » and their liquid crystal as well as electro-optical properties analyzed by polarized optical microscopy, differential scanning calorimetry, synchrotron X-ray diffraction, dielectric spectroscopy, and electro-optical tests.« less

An Optically Isotropic Antiferroelectric Liquid Crystal (OI-AFLC) Display Mode Operating over a Wide Temperature Range using Ternary Bent-Core Liquid Crystal Mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergquist, Leah; Zhang, Cuiyu; Ribeiro de Almeida, Roberta R.

Here, we report on the synthesis and characterization of bent-core liquid crystal (LC) compounds and the preparation of mixtures that provide an optically isotropic antiferroelectric (OI-AFLC) liquid crystal display mode over a very wide temperature interval and well below room temperature. From the collection of compounds synthesized during this study, we recognized that several ternary mixtures displayed a modulated SmC aP A phase down to below -40 °C and up to about 100 °C on both heating and cooling, as well as optical tilt angles in the transformed state of approximately 45° (optically isotropic state). The materials were fully characterizedmore » and their liquid crystal as well as electro-optical properties analyzed by polarized optical microscopy, differential scanning calorimetry, synchrotron X-ray diffraction, dielectric spectroscopy, and electro-optical tests.« less

Optical spectroscopy and ultrafast pump-probe studies on the heavy-fermion compound CePt 2 In 7

DOE PAGES

Chen, R. Y.; Zhang, S. J.; Bauer, E. D.; ...

2016-07-29

We report optical spectroscopy and ultrafast pump-probe measurements on the antiferromagnetic heavy-fermion compound CePt 2 In 7 , a member showing stronger two dimensionality than other compounds in the CeIn 3 -derived heavy-fermion family. Here, we identify clear and typical hybridization spectral structures at low temperature from the two different spectroscopy probes. But, the strength and related energy scale of the hybridization are much weaker and smaller than that in the superconducting compounds CeCoIn 5 and CeIrIn 5 . The features are more similar to observations on the antiferromagnetic compounds CeIn 3 and CeRhIn 5 in the same family. Ourmore » results clearly indicate that the Kondo interaction and hybridizations exist in the antiferromagnetic compounds but with weaker strength.« less

Development of fluorescent tracers for the real-time monitoring of renal function

NASA Astrophysics Data System (ADS)

Poreddy, Amruta R.; Asmelash, Bethel; Debreczeny, Martin P.; Fitch, Richard M.; Freskos, John N.; Galen, Karen P.; Gaston, Kimberly R.; Kostelc, James G.; Kumar, Rana; Marzan, Tim A.; Neumann, William L.; Rajagopalan, Raghavan; Schoenstein, Tasha M.; Shieh, Jeng-Jong; Wilcox, J. Micah; Wojdyla, Jolette K.; Dorshow, Richard B.

2011-03-01

Accurate measurement of glomerular filtration rate (GFR) at the bedside is highly desirable in order to assess renal function in real-time, which is currently an unmet clinical need. In our pursuit to develop exogenous fluorescent tracers as GFR markers, various hydrophilic derivatives of 3,6-diaminopyrazine-2,5-dicarboxylic acid with varying molecular weights and absorption/emission characteristics were synthesized. These include polyhydroxyalkyl based small molecules and poly(ethylene glycol) (PEG) substituted moderate molecular weight compounds, which were further sub-grouped into analogs having blue excitation with green emission, and relatively longer wavelength analogs having green excitation with orange emission. Lead compounds were identified in each of the four classes on the basis of structure- activity relationship studies, which included in vitro plasma protein binding, in vivo urine recovery of administered dose, and in vivo optical monitoring. The in vivo optical monitoring experiments with lead candidates have been correlated with plasma pharmacokinetic (PK) data for measurement of clearance and hence GFR. Renal clearance of these compounds, occurring exclusively via glomerular filtration, was established by probenecid blocking experiments. The renal clearance property of all these advanced candidates was superior to that of the iothalamate, which is currently an accepted standard for the measurement of GFR.

Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate.

PubMed

Sheena Mary, Y; Yohannan Panicker, C; Sapnakumari, M; Narayana, B; Sarojini, B K; Al-Saadi, Abdulaziz A; Van Alsenoy, Christian; War, Javeed Ahmad

2015-03-05

The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of ethyl-6-(4-chlorophenyl)-4-(4-fluoro-phenyl)-2-oxocyclohex-3-ene-1-carboxylate have been investigated experimentally and theoretically using Gaussian09 software. The title compound was optimized using the HF and DFT levels of theory. The geometrical parameters are in agreement with the XRD data. The stability of the molecule has been analyzed by NBO analysis. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. Molecular electrostatic potential was performed by the DFT method. As can be seen from the MEP map of the title compound, regions having the negative potential are over the electro negative atoms, the region having the positive potential are over the phenyl rings and the remaining species are surrounded by zero potential. First hyperpolarizability is calculated in order to find its role in non linear optics. The title compound binds at the active sites of both CypD and β-secretase and the molecular docking results draw the conclusion that the compound might exhibit β-secretase inhibitory activity which could be utilized for development of new anti-alzheimeric drugs with mild CypD inhibitory activity. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis, spectral characterization and computed optical analysis of potent triazole based compounds

NASA Astrophysics Data System (ADS)

Sumrra, Sajjad H.; Mushtaq, Fazila; Khalid, Muhammad; Raza, Muhammad Asam; Nazar, Muhammad Faizan; Ali, Bakhat; Braga, Ataualpa A. C.

2018-02-01

Biologically active triazole Schiff base ligand (L) and metal complexes [Fe(II), Co(II), Ni(II), Cu(II) and Zn(II)] are reported herein. The ligand acted as tridentate and coordinated towards metallic ions via azomethine-N, triazolic-N moiety and deprotonated-O of phenyl substituents in an octahedral manner. These compounds were characterized by physical, spectral and analytical analysis. The synthesized ligand and metal complexes were screened for antibacterial pathogens against Chromohalobacter salexigens, Chromohalobacter israelensi, Halomonas halofila and Halomonas salina, antifungal bioassay against Aspergillus niger and Aspergellus flavin, antioxidant (DPPH, phosphomolybdate) and also for enzyme inhibition [butyrylcholinesterase (BChE) and acetylcholinesterase (AChE)] studies. The results of these activities indicated the ligand to possess potential activity which significantly increased upon chelation. Moreover, vibrational bands, frontier molecular orbitals (FMOs) and natural bond analysis (NBO) of ligand (1) were carried out through density functional theory (DFT) with B3lYP/6-311 ++G (d,p) approach. While, UV-Vis analysis was performed by time dependent TD-DFT with B3lYP/6-311 ++G (d,p) method. NBO analysis revealed that investigated compound (L) contains enormous molecular stability owing to hyper conjugative interactions. Theoretical spectroscopic findings showed good agreement to experimental spectroscopic data. Global reactivity descriptors were calculated using the energies of FMOs which indicated compound (L) might be bioactive. These parameters confirmed the charge transfer phenomenon and reasonable correspondence with experimental bioactivity results.

Antibacterial Activity of 7-Epiclusianone and Its Novel Copper Metal Complex on Streptococcus spp. Isolated from Bovine Mastitis and Their Cytotoxicity in MAC-T Cells.

PubMed

de Barros, Mariana; Perciano, Pedro Griffo; Dos Santos, Marcelo Henrique; De Oliveira, Leandro Licursi; Costa, Éderson D'Martin; Moreira, Maria Aparecida Scatamburlo

2017-05-17

Mastitis is an inflammation of mammary gland parenchyma that adversely affects bovine health and dairy production worldwide despite significant efforts to eradicate it. The aim of this work was to characterize the antimicrobial activity of 7-epiclusianone (7-epi), a compound extracted from the Rheedia brasiliensis fruit, its complex with copper against Streptococcus spp. isolated from bovine mastitis, and to assess their cytotoxicity to bovine mammary alveolar cells (MAC-T). The complex 7-epiclusianone-Cu (7-epi-Cu) was an amorphous green solid with optical activity. Its vibrational spectrum in the infrared region showed absorption bands in the high-frequency region, as well as bands that can be attributed to the unconjugated and conjugated stretching of the free ligand. The complex was anhydrous. One of the tested bacterial strains was not sensitive to the compounds, while the other three had MIC values of 7.8 µg mL -1 and minimum bactericidal concentration (MBC) values between 15.6 and 31.3 µg mL -1 . These two compounds are bacteriostatic, did not cause damage to the cell wall and, at sub-inhibitory concentrations, did not induce bacterial adhesion. The compounds were not cytotoxic. Based on these results, 7-epi and 7-epi-Cu exhibited desirable antimicrobial properties and could potentially be used in bovine mastitis treatment.

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

NASA Astrophysics Data System (ADS)

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.

Graphene optical modulator

NASA Astrophysics Data System (ADS)

Liu, Ming; Yin, Xiaobo; Wang, Feng; Zhang, Xiang

2011-10-01

Data communications have been growing at a speed even faster than Moore's Law, with a 44-fold increase expected within the next 10 years. Data Transfer on such scale would have to recruit optical communication technology and inspire new designs of light sources, modulators, and photodetectors. An ideal optical modulator will require high modulation speed, small device footprint and large operating bandwidth. Silicon modulators based on free carrier plasma dispersion effect and compound semiconductors utilizing direct bandgap transition have seen rapid improvement over the past decade. One of the key limitations for using silicon as modulator material is its weak refractive index change, which limits the footprint of silicon Mach-Zehnder interferometer modulators to millimeters. Other approaches such as silicon microring modulators reduce the operation wavelength range to around 100 pm and are highly sensitive to typical fabrication tolerances and temperature fluctuations. Growing large, high quality wafers of compound semiconductors, and integrating them on silicon or other substrates is expensive, which also restricts their commercialization. In this work, we demonstrate that graphene can be used as the active media for electroabsorption modulators. By tuning the Fermi energy level of the graphene layer, we induced changes in the absorption coefficient of graphene at communication wavelength and achieve a modulation depth above 3 dB. This integrated device also has the potential of working at high speed.

Theoretical and experimental study of electron-deficient core substitution effect of diketopyrrolopyrrole derivatives on optoelectrical and charge transport properties

NASA Astrophysics Data System (ADS)

Ding, Guodong; Mahmood, Asif; Tang, Ailing; Chen, Fan; Zhou, Erjun

2018-01-01

Three new diketopyrrolopyrrole based compounds with Acceptor-Donor-Acceptor-Donor-Acceptor (A-D-A-D-A) skeletons were designed and synthesized through varying the electron-deficient core from diphenylquinoxaline (DP-Qx), thieno[3,4-c]pyrrole-4,6-dione (DP-TPD) to 2-dodecyl-6,7-diphenyl-2H-[1,2,3]triazole[4,5-g]quinoxaline (DP-TQx). We have calculated and studied the effect of central acceptor units on electronic, optical and non-optical properties. As well as, we have predicted the charge transport properties. Results indicate that change of central acceptor unit remarkably affects the molecular electronic, optical and non-optical properties. And the molecular band gap and UV/vis adsorption spectra are significantly changed. It should be noted that Compound 3 with 2-dodecyl-6,7-diphenyl-2H-[1,2,3]triazole[4,5-g]quinoxaline as core show superior non-optical properties as compare to other compounds. Our study here indicate that inserting the strong electron-deficient moieties improves intramolecular charge transfer (ICT) and charge transport properties dramatically.

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

NASA Astrophysics Data System (ADS)

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.

Sub-25-nm laboratory x-ray microscopy using a compound Fresnel zone plate.

PubMed

von Hofsten, Olov; Bertilson, Michael; Reinspach, Julia; Holmberg, Anders; Hertz, Hans M; Vogt, Ulrich

2009-09-01

Improving the resolution in x-ray microscopes is of high priority to enable future applications in nanoscience. However, high-resolution zone-plate optics often have low efficiency, which makes implementation in laboratory microscopes difficult. We present a laboratory x-ray microscope based on a compound zone plate. The compound zone plate utilizes multiple diffraction orders to achieve high resolution while maintaining reasonable efficiency. We analyze the illumination conditions necessary for this type of optics in order to suppress stray light and demonstrate microscopic imaging resolving 25 nm features.

Learning about Structural and Optical Properties of Organic Compounds through Preparation of Functional Nanomicelles While Avoiding Hazardous Chemicals or Complicated Apparatus

ERIC Educational Resources Information Center

Langhals, Heinz; Eberspa¨cher, Moritz; Hofer, Alexander

2015-01-01

The synthesis of nanomicelles in the aqueous phase on the basis of nonhazardous detergents is described where azulene and a naphthalene tetracarboximide are used in this experiment to teach the relation between structural and optical properties of organic compounds and point out possible applications. The experiment covers many aspects of…

Effect of γ-lactones and γ-lactams compounds on Streptococcus mutans biofilms

PubMed Central

Sordi, Mariane Beatriz; Moreira, Thaís Altoé; Montero, Juan Felipe Dumes; Barbosa, Luis Cláudio; Benfatti, César Augusto Magalhães; Magini, Ricardo de Souza; Pimenta, Andréa de Lima

2018-01-01

Abstract Considering oral diseases, antibiofilm compounds can decrease the accumulation of pathogenic species such as Streptococcus mutans at micro-areas of teeth, dental restorations or implant-supported prostheses. Objective To assess the effect of thirteen different novel lactam-based compounds on the inhibition of S. mutans biofilm formation. Material and methods We synthesized compounds based on γ-lactones analogues from rubrolides by a mucochloric acid process and converted them into their corresponding γ-hydroxy-γ-lactams by a reaction with isobutylamine and propylamine. Compounds concentrations ranging from 0.17 up to 87.5 μg mL-1 were tested against S. mutans. We diluted the exponential cultures in TSB and incubated them (37°C) in the presence of different γ-lactones or γ-lactams dilutions. Afterwards, we measured the planktonic growth by optical density at 630 nm and therefore assessed the biofilm density by the crystal violet staining method. Results Twelve compounds were active against biofilm formation, showing no effect on bacterial viability. Only one compound was inactive against both planktonic and biofilm growth. The highest biofilm inhibition (inhibition rate above 60%) was obtained for two compounds while three other compounds revealed an inhibition rate above 40%. Conclusions Twelve of the thirteen compounds revealed effective inhibition of S. mutans biofilm formation, with eight of them showing a specific antibiofilm effect. PMID:29489934

Synthesis and biological characterization of (3R,4R)-4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol and its stereoisomers for activity toward monoamine transporters.

PubMed

Kharkar, Prashant S; Batman, Angela M; Zhen, Juan; Beardsley, Patrick M; Reith, Maarten E A; Dutta, Aloke K

2009-07-01

A novel series of optically active molecules based on a 4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol template were developed. Depending on stereochemistry, the compounds exhibit various degrees of affinity for three dopamine, serotonin, and norepinephrine transporters. These molecules have the potential for treating several neurological disorders such as drug abuse, depression, and attention deficit hyperactivity disorder.Herein we describe the synthesis and biological evaluation of a series of asymmetric 4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol-based dihydroxy compounds in which the hydroxy groups are located on both the piperidine ring and the N-phenylethyl side chain. In vitro uptake inhibition data of these molecules indicate high affinity for the dopamine transporter (DAT) in addition to moderate to high affinity for the norepinephrine transporter (NET). Interestingly, compounds 9 b and 9 d exhibit affinities for all three monoamine transporters, with highest potency at DAT and NET, and moderate potency at the serotonin transporter (SERT) (K(i): 2.29, 78.4, and 155 nM for 9 b and 1.55, 14.1, and 259 nM for 9 d, respectively). Selected compounds 9 a, 9 d, and 9 d' were tested for their locomotor activity effects in mice and for their ability to occasion the cocaine-discriminative stimulus in rats. These test compounds generally exhibit a much longer duration of action than cocaine for elevating locomotor activity, and completely generalize the cocaine-discriminative stimulus in a dose-dependent manner.

Extract from Aronia melanocarpa fruits potentiates the inhibition of platelet aggregation in the presence of endothelial cells

PubMed Central

Luzak, Boguslawa; Golanski, Jacek; Rozalski, Marek; Krajewska, Urszula; Olas, Beata

2010-01-01

Introduction Some polyphenolic compounds extracted from Aronia melanocarpa fruits (AM) have been reported to be cardioprotective agents. In this study we evaluated the ability of AM extract to increase the efficacy of human umbilical vein endothelial cells (HUVECs) to inhibit platelet functions in vitro. Material and methods This study encompasses two models of monitoring platelet reactivity: optical aggregation and platelet degranulation (monitored as the surface CD62P expression) in PRP upon the stimulation with ADP. Results We observed that only at low concentrations (5 µg/ml) did AM extract significantly improve antiplatelet action of HUVECs towards ADP-activated platelets in the aggregation test. Conclusions It is concluded that the potentiating effect of AM extract on the endothelial cell-mediated inhibition of platelet aggregation clearly depends on the used concentrations of Aronia-derived active compounds. Therefore, despite these encouraging preliminary outcomes on the beneficial effects of AM extract polyphenols, more profound dose-effect studies should certainly be considered before the implementation of Aronia-originating compounds in antiplatelet therapy and the prevention of cardiovascular diseases. PMID:22371737

Methods for synthesizing semiconductor quality chalcopyrite crystals for nonlinear optical and radiation detection applications and the like

DOEpatents

Stowe, Ashley; Burger, Arnold

2016-05-10

A method for synthesizing I-III-VI.sub.2 compounds, including: melting a Group III element; adding a Group I element to the melted Group III element at a rate that allows the Group I and Group III elements to react thereby providing a single phase I-III compound; and adding a Group VI element to the single phase I-III compound under heat, with mixing, and/or via vapor transport. The Group III element is melted at a temperature of between about 200 degrees C. and about 700 degrees C. Preferably, the Group I element consists of a neutron absorber and the group III element consists of In or Ga. The Group VI element and the single phase I-III compound are heated to a temperature of between about 700 degrees C. and about 1000 degrees C. Preferably, the Group VI element consists of S, Se, or Te. Optionally, the method also includes doping with a Group IV element activator.

Racemization and the origin of optically active organic compounds in living organisms

NASA Technical Reports Server (NTRS)

Bada, J. L.; Miller, S. L.

1987-01-01

The organic compounds synthesized in prebiotic experiments are racemic mixtures. A number of proposals have been offered to explain how asymmetric organic compounds formed on the Earth before life arose, with the influence of chiral weak nuclear interactions being the most frequent proposal. This and other proposed asymmetric syntheses give only sight enantiomeric excess and any slight excess will be degraded by racemization. This applies particularly to amino acids where half-lives of 10(5)-10(6) years are to be expected at temperatures characteristic of the Earth's surface. Since the generation of chiral molecules could not have been a significant process under geological conditions, the origins of this asymmetry must have occurred at the time of the origin of life or shortly thereafter. It is possible that the compounds in the first living organisms were prochiral rather than chiral; this is unlikely for amino acids, but it is possible for the monomers of RNA-like molecules.

Synthesis, spectral characterization, thermal behaviour, antibacterial activity and DFT calculation on N‧-[bis(methylsulfanyl) methylene]-2-hydroxybenzohydrazide and N‧-(4-methoxy benzoyl)-hydrazinecarbodithioic acid ethyl ester

NASA Astrophysics Data System (ADS)

Bharty, M. K.; Dani, R. K.; Kushawaha, S. K.; Prakash, Om; Singh, Ranjan K.; Sharma, V. K.; Kharwar, R. N.; Singh, N. K.

2015-06-01

Two new compounds N‧-[bis(methylsulfanyl) methylene]-2-hydroxybenzohydrazide {Hbmshb (1)} and N‧-(4-methoxy benzoyl)-hydrazinecarbodithioic acid ethyl ester {H2mbhce (2)} have been synthesized and characterized with the aid of elemental analyses, IR, NMR and single crystal X-ray diffraction data. Compounds 1 and 2 crystallize in orthorhombic and monoclinic systems with space group Pna21 and P21/n, respectively. Inter and intra molecular hydrogen bonding link two molecules and provide linear chain structure. In addition to this, compound 2 is stabilized by CH⋯π and NH⋯π interactions. Molecular geometry from X-ray analysis, geometry optimization, charge distribution, bond analysis, frontier molecular orbital (FMO) analysis and non-linear optical (NLO) effects have been performed using the density functional theory (DFT) with the B3LYP functional. The bioefficacy of compounds has been examined against the growth of bacteria to evaluate their anti-microbial potential. Compounds 1 and 2 are thermally stable and show NLO behaviour better than the urea crystal.

Mid-infrared hyperspectral imaging for the detection of explosive compounds

NASA Astrophysics Data System (ADS)

Ruxton, K.; Robertson, G.; Miller, W.; Malcolm, G. P. A.; Maker, G. T.

2012-10-01

Active hyperspectral imaging is a valuable tool in a wide range of applications. A developing market is the detection and identification of energetic compounds through analysis of the resulting absorption spectrum. This work presents a selection of results from a prototype mid-infrared (MWIR) hyperspectral imaging instrument that has successfully been used for compound detection at a range of standoff distances. Active hyperspectral imaging utilises a broadly tunable laser source to illuminate the scene with light over a range of wavelengths. While there are a number of illumination methods, this work illuminates the scene by raster scanning the laser beam using a pair of galvanometric mirrors. The resulting backscattered light from the scene is collected by the same mirrors and directed and focussed onto a suitable single-point detector, where the image is constructed pixel by pixel. The imaging instrument that was developed in this work is based around a MWIR optical parametric oscillator (OPO) source with broad tunability, operating at 2.6 μm to 3.7 μm. Due to material handling procedures associated with explosive compounds, experimental work was undertaken initially using simulant compounds. A second set of compounds that was tested alongside the simulant compounds is a range of confusion compounds. By having the broad wavelength tunability of the OPO, extended absorption spectra of the compounds could be obtained to aid in compound identification. The prototype imager instrument has successfully been used to record the absorption spectra for a range of compounds from the simulant and confusion sets and current work is now investigating actual explosive compounds. The authors see a very promising outlook for the MWIR hyperspectral imager. From an applications point of view this format of imaging instrument could be used for a range of standoff, improvised explosive device (IED) detection applications and potential incident scene forensic investigation.

Optically pure, water-stable metallo-helical ‘flexicate’ assemblies with antibiotic activity

NASA Astrophysics Data System (ADS)

Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter

2012-01-01

The helicates—chiral assemblies of two or more metal atoms linked by short or relatively rigid multidentate organic ligands—may be regarded as non-peptide mimetics of α-helices because they are of comparable size and have shown some relevant biological activity. Unfortunately, these beautiful helical compounds have remained difficult to use in the medicinal arena because they contain mixtures of isomers, cannot be optimized for specific purposes, are insoluble, or are too difficult to synthesize. Instead, we have now prepared thermodynamically stable single enantiomers of monometallic units connected by organic linkers. Our highly adaptable self-assembly approach enables the rapid preparation of ranges of water-stable, helicate-like compounds with high stereochemical purity. One such iron(II) ‘flexicate’ system exhibits specific interactions with DNA, promising antimicrobial activity against a Gram-positive bacterium (methicillin-resistant Staphylococcus aureus, MRSA252), but also, unusually, a Gram-negative bacterium (Escherichia coli, MC4100), as well as low toxicity towards a non-mammalian model organism (Caenorhabditis elegans).

Polarity dependent photoisomerization of ether substituted azodyes: Synthesis and photoswitching behavior.

PubMed

Gan, Siew Mei; Pearl, Zynia Fernandes; Yuvaraj, A R; Lutfor, M R; Gurumurthy, Hegde

2015-10-05

Two new ether substituted azodyes were synthesized and characterized by different spectral analysis such as (1)H NMR, (13)C NMR, FTIR and UV/Vis. Synthesized compounds were used to study the photoisomerization phenomenon by using UV-Vis spectro-photometer. Interesting polarity dependent effect is observed for the first time on these materials. Trans-cis (E-Z) and cis-trans (Z-E) conversion occurred within 41 s and 445 min, respectively for both the compounds in solutions. Polarizing optical microscopy studies revealed that there is no liquid crystal phase for both the compounds. The dramatic variation in the optical property is speculated to be the polarity of the chemical species. These derivatives are useful to fabricate optical data storage devices. Copyright © 2015 Elsevier B.V. All rights reserved.

Reconfigurable and responsive droplet-based compound micro-lenses.

PubMed

Nagelberg, Sara; Zarzar, Lauren D; Nicolas, Natalie; Subramanian, Kaushikaram; Kalow, Julia A; Sresht, Vishnu; Blankschtein, Daniel; Barbastathis, George; Kreysing, Moritz; Swager, Timothy M; Kolle, Mathias

2017-03-07

Micro-scale optical components play a crucial role in imaging and display technology, biosensing, beam shaping, optical switching, wavefront-analysis, and device miniaturization. Herein, we demonstrate liquid compound micro-lenses with dynamically tunable focal lengths. We employ bi-phase emulsion droplets fabricated from immiscible hydrocarbon and fluorocarbon liquids to form responsive micro-lenses that can be reconfigured to focus or scatter light, form real or virtual images, and display variable focal lengths. Experimental demonstrations of dynamic refractive control are complemented by theoretical analysis and wave-optical modelling. Additionally, we provide evidence of the micro-lenses' functionality for two potential applications-integral micro-scale imaging devices and light field display technology-thereby demonstrating both the fundamental characteristics and the promising opportunities for fluid-based dynamic refractive micro-scale compound lenses.

Reconfigurable and responsive droplet-based compound micro-lenses

PubMed Central

Nagelberg, Sara; Zarzar, Lauren D.; Nicolas, Natalie; Subramanian, Kaushikaram; Kalow, Julia A.; Sresht, Vishnu; Blankschtein, Daniel; Barbastathis, George; Kreysing, Moritz; Swager, Timothy M.; Kolle, Mathias

2017-01-01

Micro-scale optical components play a crucial role in imaging and display technology, biosensing, beam shaping, optical switching, wavefront-analysis, and device miniaturization. Herein, we demonstrate liquid compound micro-lenses with dynamically tunable focal lengths. We employ bi-phase emulsion droplets fabricated from immiscible hydrocarbon and fluorocarbon liquids to form responsive micro-lenses that can be reconfigured to focus or scatter light, form real or virtual images, and display variable focal lengths. Experimental demonstrations of dynamic refractive control are complemented by theoretical analysis and wave-optical modelling. Additionally, we provide evidence of the micro-lenses' functionality for two potential applications—integral micro-scale imaging devices and light field display technology—thereby demonstrating both the fundamental characteristics and the promising opportunities for fluid-based dynamic refractive micro-scale compound lenses. PMID:28266505

Crystal growth, structural, spectral, thermal, linear and nonlinear optical characterization of a new organic nonlinear chiral compound: L-tryptophan-fumaric acid-water (1/1/1) suitable for laser frequency conversion

NASA Astrophysics Data System (ADS)

Peer Mohamed, M.; Jayaprakash, P.; Nageshwari, M.; Rathika Thaya Kumari, C.; Sangeetha, P.; Sudha, S.; Mani, G.; Lydia Caroline, M.

2017-08-01

A new organic active nonlinear optical crystal L-tryptophan fumaric acid water (1/1/1), (C15H17N2 O7. H2O)(LTFAW), consisting of zwitterion tryptophan molecule in conjunction with a fumaric acid molecule and a water molecule was grown by slow solvent evaporation technique from aqueous solution. The organic chromophore crystallizes from water in its zwitterions exhibiting tabular habit in monoclinic system with acentric space group C2 (Z = 4). The sharp peaks observed in Powder X-ray diffractogram depicts the crystalline nature. The presence of functional groups in the grown crystal was analyzed using FT-IR spectrum. The carbon and hydrogen environment in molecular structure was investigated using FT-NMR technique using deuterated DMSO solution. Ultraviolet-visible spectral analysis reveal that the crystal possess lower cut-off wavelength down to 275 nm, is a key factor to exhibit Second Harmonic Generation (SHG) signal. The direct optical band gap is evaluated to be 5.28 eV from the UV absorption profile. The evaluation of optical constants by employing UV-visible absorbance data such as, extinction coefficient, reflectance, refractive index, optical conductivity are supportive towards good performance as NLO devices. Temperature of decomposition was investigated using thermogravimetric analysis/differential thermal analysis techniques (TG/DTA). The luminescence profile exhibited two peaks (362 nm, 683 nm) due to the donation of protons from carboxylic group to amino group. The nonlinear optical behavior from the noncentrosymmetric crystal was observed by the generation of frequency doubled (2ω) optical radiation when subjected to pulsed Nd:YAG laser (1064 nm, 10 ns, 10 Hz) using Kurtz-Perry method. The variation of dielectric constant (εʹ) and dielectric loss (εʹʹ) vs. Log f for the title compound was analysed at a few selected temperatures and frequencies.

Fluorescence-based assay as a new screening tool for toxic chemicals

PubMed Central

Moczko, Ewa; Mirkes, Evgeny M.; Cáceres, César; Gorban, Alexander N.; Piletsky, Sergey

2016-01-01

Our study involves development of fluorescent cell-based diagnostic assay as a new approach in high-throughput screening method. This highly sensitive optical assay operates similarly to e-noses and e-tongues which combine semi-specific sensors and multivariate data analysis for monitoring biochemical processes. The optical assay consists of a mixture of environmental-sensitive fluorescent dyes and human skin cells that generate fluorescence spectra patterns distinctive for particular physico-chemical and physiological conditions. Using chemometric techniques the optical signal is processed providing qualitative information about analytical characteristics of the samples. This integrated approach has been successfully applied (with sensitivity of 93% and specificity of 97%) in assessing whether particular chemical agents are irritating or not for human skin. It has several advantages compared with traditional biochemical or biological assays and can impact the new way of high-throughput screening and understanding cell activity. It also can provide reliable and reproducible method for assessing a risk of exposing people to different harmful substances, identification active compounds in toxicity screening and safety assessment of drugs, cosmetic or their specific ingredients. PMID:27653274

Fluorescence-based assay as a new screening tool for toxic chemicals.

PubMed

Moczko, Ewa; Mirkes, Evgeny M; Cáceres, César; Gorban, Alexander N; Piletsky, Sergey

2016-09-22

Our study involves development of fluorescent cell-based diagnostic assay as a new approach in high-throughput screening method. This highly sensitive optical assay operates similarly to e-noses and e-tongues which combine semi-specific sensors and multivariate data analysis for monitoring biochemical processes. The optical assay consists of a mixture of environmental-sensitive fluorescent dyes and human skin cells that generate fluorescence spectra patterns distinctive for particular physico-chemical and physiological conditions. Using chemometric techniques the optical signal is processed providing qualitative information about analytical characteristics of the samples. This integrated approach has been successfully applied (with sensitivity of 93% and specificity of 97%) in assessing whether particular chemical agents are irritating or not for human skin. It has several advantages compared with traditional biochemical or biological assays and can impact the new way of high-throughput screening and understanding cell activity. It also can provide reliable and reproducible method for assessing a risk of exposing people to different harmful substances, identification active compounds in toxicity screening and safety assessment of drugs, cosmetic or their specific ingredients.

Fluorescence-based assay as a new screening tool for toxic chemicals

NASA Astrophysics Data System (ADS)

Moczko, Ewa; Mirkes, Evgeny M.; Cáceres, César; Gorban, Alexander N.; Piletsky, Sergey

2016-09-01

Our study involves development of fluorescent cell-based diagnostic assay as a new approach in high-throughput screening method. This highly sensitive optical assay operates similarly to e-noses and e-tongues which combine semi-specific sensors and multivariate data analysis for monitoring biochemical processes. The optical assay consists of a mixture of environmental-sensitive fluorescent dyes and human skin cells that generate fluorescence spectra patterns distinctive for particular physico-chemical and physiological conditions. Using chemometric techniques the optical signal is processed providing qualitative information about analytical characteristics of the samples. This integrated approach has been successfully applied (with sensitivity of 93% and specificity of 97%) in assessing whether particular chemical agents are irritating or not for human skin. It has several advantages compared with traditional biochemical or biological assays and can impact the new way of high-throughput screening and understanding cell activity. It also can provide reliable and reproducible method for assessing a risk of exposing people to different harmful substances, identification active compounds in toxicity screening and safety assessment of drugs, cosmetic or their specific ingredients.

Marine bioactive compounds: stereospecific anti-inflammatory activity of natural and synthetic cordiachromene A.

PubMed

Benslimane, A F; Pouchus, Y F; Verbist, J F; Petit, J Y; Khettab, E N; Welin, L; Brion, J D

1992-01-01

A new synthesis is proposed for cordiachromene A (CCA), a bioactive component of the ascidian Aplidium antillense Gravier, using a method producing a racemic mixture. The anti-inflammatory activities of a natural extract and a chemically synthetic form of CCA were assessed in vivo by carrageenan-induced rat-paw edema. The activity of synthetic CCA was confirmed by a test on kaolin-induced granuloma in the rat. Strong activities were measured for both CCA, but comparison of results of the first test suggests that only the natural optically active isomer has an anti-inflammatory effect. CCA is similar to indomethacin in its effect on carrageenan-induced rat-paw edema and ten times as active as phenylbutazone.

Optical density and photonic efficiency of silica-supported TiO2 photocatalysts.

PubMed

Marugán, J; Hufschmidt, D; Sagawe, G; Selzer, V; Bahnemann, D

2006-02-01

Over the last years, many research groups have developed supported TiO2-based materials in order to improve the engineering applications of photocatalytic technologies. However, not many attempts have been made to evaluate the optical behavior of these materials. This work focuses on the study of the photonic efficiencies of silica-supported TiO2 photocatalysts following the photodegradation of dichloroacetic acid (DCA) as model compound. Catalysts with different types of silica support and titania loadings were tested and their activity was found to be in correlation with the results of the clusters size distribution of the TiO2 nanocrystals. The photonic efficiency of the supported photocatalysts depends extremely on the optical density of the solid suspensions. Influence of the textural properties of the support and the titania loading on the optical density as well as on the photonic efficiency of the materials are discussed. The dependence of the absorption of radiation by the suspension on the catalyst concentration is also analyzed.

Synthesis, growth, structure and nonlinear optical properties of a semiorganic 2-carboxy pyridinium dihydrogen phosphate single crystal

NASA Astrophysics Data System (ADS)

Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.

2015-09-01

A new semiorganic compound namely, 2-carboxy pyridinium dihydrogen phosphate (2CPDP) was synthesised and grown as single crystals by slow evaporation solution growth technique. Single crystal XRD showed that 2CPDP belongs to monoclinic crystal system with space group P21/n. The molecular structure was further confirmed by modern spectroscopic techniques like FT-NMR (1H, 13C &31P), FT-IR, UV-Vis-NIR and Fluorescence. The UV-Vis-NIR analysis revealed suitability of the crystal for nonlinear optical applications. The photo active nature of the material is established from fluorescence studies. TG-DSC analysis showed that 2CPDP was thermally stable up to 170 °C. The dependence of dielectric properties on frequency and temperature were also studied. Nonlinear optical absorption determined from open aperture Z-Scan analysis by employing picosecond Nd-YAG laser, revealed that 2CPDP can serve as a promising candidate for optical limiting applications.

Evaluation of antituberculosis activity and DFT study on dipyrromethane-derived hydrazone derivatives

NASA Astrophysics Data System (ADS)

Rawat, Poonam; Singh, R. N.; Niranjan, Priydarshni; Ranjan, Alok; Holguín, Norma Rosario Flores

2017-12-01

This paper evaluates the anti-tubercular activity of dipyrromethane-derived hydrazones derivatives (3a-d) against strain of Mycobacterium tuberculosis H37Rv. The newly synthesized compounds have been obtained in good yield based on the condensation of aromatic aldehyde derivatives with pyrrole hydrazone in presence of catalyst and well characterized with spectroscopic methods (1H, 13C NMR, Mass spectrometry) and elemental analysis. The singlet observed in the experimental 1H and 13C NMR spectra in the range of 5.3-5.7 ppm and 30-33.86 ppm, respectively, indicating that two pyrrole units are joined at meso position. The electronic transitions observed in the experimental spectra are n→π* and π →π* in nature. Experimental and theoretical findings corroborate well with each other. The substitution of acceptor group (-NO2) at ortho- and meta-positions of benzene ring, present at meso-position of dipyrromethane is responsible for variation in β0 values. The calculated NLO of (3a-d) are much greater than those of p-nitroaniline (PNA). The solvent induced effects on the non-linear optical properties were studied and found to enhance NLO properties of the molecules as dielectric constants of the solvents increases. On the basis of results it is anticipated that these dipyrromethanes will be useful for both antimicrobial and non-linear optical (NLO) applications. With the help of Microplate Alamar Blue assay (MABA) method all (3a-d) compounds were screened for their anti-tubercular activity and found that 3b and 3d have higher inhibitory activity against strain of M. tuberculosis H37Rv.

Optical and Chemical Characterization of Aerosols Produced from Cooked Meats

NASA Astrophysics Data System (ADS)

Niedziela, R. F.; Foreman, E.; Blanc, L. E.

2011-12-01

Cooking processes can release a variety compounds into the air immediately above a cooking surface. The distribution of compounds will largely depend on the type of food that is being processed and the temperatures at which the food is prepared. High temperatures release compounds from foods like meats and carry them away from the preparation surface into cooler regions where condensation into particles can occur. Aerosols formed in this manner can impact air quality, particularly in urban areas where the amount of food preparation is high. Reported here are the results of laboratory experiments designed to optically and chemically characterize aerosols derived from cooking several types of meats including ground beef, salmon, chicken, and pork both in an inert atmosphere and in synthetic air. The laboratory-generated aerosols are studied using a laminar flow cell that is configured to accommodate simultaneous optical characterization in the mid-infrared and collection of particles for subsequent chemical analysis by gas chromatography. Preliminary optical results in the visible and ultra-violet will also be presented.

Analysis of the structural, electronic and optic properties of Ni doped MgSiP{sub 2} semiconductor chalcopyrite compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocak, Belgin, E-mail: koakbelgin@gmail.com; Ciftci, Yasemin Oztekin, E-mail: yasemin@gazi.edu.tr

2016-03-25

The structural, electronic band structure and optic properties of the Ni doped MgSiP{sub 2} chalcopyrite compound have been performed by using first-principles method in the density functional theory (DFT) as implemented in Vienna Ab-initio Simulation Package (VASP). The generalized gradient approximation (GGA) in the scheme of Perdew, Burke and Ernzerhof (PBE) is used for the exchange and correlation functional. The present lattice constant (a) follows generally the Vegard’s law. The electronic band structure, total and partial density of states (DOS and PDOS) are calculated. We present data for the frequency dependence of imaginary and real parts of dielectric functions ofmore » Ni doped MgSiP{sub 2}. For further investigation of the optical properties the reflectivity, refractive index, extinction coefficient and electron energy loss function are also predicted. Our obtained results indicate that the lattice constants, electronic band structure and optical properties of this compound are dependent on the substitution concentration of Ni.« less

77 FR 68830 - Certain Projectors With Controlled-Angle Optical Retarders, Components Thereof, and Products...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-16

... October 21, 2011, as supplemented on November 2, 2011, by Compound Photonics Ltd. of London, United Kingdom and Compound Photonics U.S. Corporation of Phoenix, Arizona (collectively ``Compound Photonics... Unfair Import Investigation was named as a participating party. On October 17, 2012, Compound Photonics...

Modification of YNbO4 and YNbTiO6 photoluminescence by nitrogen doping

NASA Astrophysics Data System (ADS)

Pei, H.; Su, L. M.; Cai, G. M.; Jin, Z. P.

2018-04-01

Niobates as multifunctional materials were of vital importance in the industry production and daily life. In present work, niobates YNbO4 and YNbTiO6 are investigated as luminescence materials. The compounds have self-activated luminescence, and it is discussed how nitrogen doping affects their electronic structure and optical properties. Various analytical techniques, including x-ray diffraction, nitrogen-content analysis, x-ray photoelectron spectroscopy, scanning electron microscopy, UV-vis absorption spectroscopy and vacuum ultraviolet emission spectroscopy at variable temperature, were used to characterize the structure, composition, crystallinity and optical performance of these niobates. By considering the luminescence mechanisms in YNbO4 and YNbTiO6, the enhanced luminescence obtained upon nitrogen doping is attributed to the presence of oxygen vacancies and nitrogen levels, which changes the band gaps of the materials. Present work demonstrates the use of nitrogen doping for improving the photoluminescence properties of self-activated niobates.

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

NASA Astrophysics Data System (ADS)

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.

Electronic and optical properties of mixed Be-chalcogenides

NASA Astrophysics Data System (ADS)

Khan, Imad; Ahmad, Iftikhar; Zhang, D.; Rahnamaye Aliabad, H. A.; Jalali Asadabadi, S.

2013-02-01

The electronic and optical properties of BeSxSe1-x, BeSxTe1-x and BeSexTe1-x, (0≤x≤1) are studied using the highly accurate modified Beck and Johnson (mBJ) potential. The binary Be-chalcogenides are wide and indirect band gap semiconductors and hence they are not efficient materials for optoelectronics. In order to modify them into optically active materials, the anion chalcogen atoms are partially replaced by other chalcogen atoms like BeSxSe1-x, BeSxTe1-x and BeSexTe1-x (0≤x≤1). The modified ternary compounds are of direct band gap nature and hence they are optically active. Some of these direct band gap materials are lattice matched with silicon and can possibly replace Si in semiconductor devices. Keeping in view the importance of these materials in optoelectronics, the optical properties of BeSxSe1-x, BeSxTe1-x and BeSexTe1-x in the full composition range are investigated. It is found that these materials are transparent in the IR, visible and near UV spectral regions. The alloys for the most of the concentrations have band gaps larger than 3 eV, so it is expected that they may be efficient materials for blue, green and UV light emitting diodes.

Transport Optical and Magnetic Properties of Solids.

DTIC Science & Technology

Solid state physics, Band theory of solids, Semiconductors, Strontium compounds, Superconductors, Magnetic properties, Chalcogens, Transport properties, Optical properties, Bibliographies, Scientific research, Magnons

Novel odd/even effect of alkylene chain length on the photopolymerizability of organogelators.

PubMed

Aoki, Ken'ichi; Kudo, Masabumi; Tamaoki, Nobuyuki

2004-10-28

[reaction: see text] Starting from diactylene diacarboxylic acids, we have synthesized a series of photopolymerizable organogelators that possess simple amide structures, different alkylene chain lengths, and either optically active or racemic 3,7-dimethyl-1-octylamine units. The alkylene chain length of these compounds exhibits a prominent odd/even effect with respect to the photopolymerization in the gel state and is accompanied by a stereostructural effect on the gelation ability.

Free-standing carbon nanotube/graphene hybrid papers as next generation adsorbents.

PubMed

Dichiara, Anthony B; Sherwood, Tyler J; Benton-Smith, Jared; Wilson, Jonathan C; Weinstein, Steven J; Rogers, Reginald E

2014-06-21

The adsorption of a series of aromatic compounds from aqueous solution onto purified, free-standing single-walled carbon nanotube/graphene nanoplatelet hybrid papers is studied both experimentally and theoretically. Experimental data is obtained via changes in optical absorption spectra of the aqueous solutions and is used to extract all parameters required to implement a semi-empirical mass-transfer model. Agreement between experiment and theory is excellent and data from all compounds can be cast on a universal adsorption curve. Results indicate that the rate of adsorption and long-time capacity of many aromatic compounds on hybrid paper adsorbent significantly exceeds that of activated carbon by at least an order of magnitude. The combination of carbon nanotubes and graphene also promotes on the order of a 25% improvement in adsorption rates and capacities than either component alone. Hybrid nanocomposites show significant promise as adsorption materials used for environmental remediation efforts.

A Comparative Study of Structural Stability and Mechanical and Optical Properties of Fluorapatite (Ca5(PO4)3F) and Lithium Disilicate (Li2Si2O5) Components Forming Dental Glass-Ceramics: First Principles Study

NASA Astrophysics Data System (ADS)

Biskri, Z. E.; Rached, H.; Bouchear, M.; Rached, D.; Aida, M. S.

2016-10-01

The aim of this paper is a comparative study of structural stability and mechanical and optical properties of fluorapatite (FA) (Ca5(PO4)3F) and lithium disilicate (LD) (Li2Si2O5), using the first principles pseudopotential method based on density functional theory (DFT) within the generalized gradient approximation (GGA). The stability of fluorapatite and lithium disilicate compounds has been evaluated on the basis of their formation enthalpies. The results show that fluorapatite is more energetically stable than lithium disilicate. The independent elastic constants and related mechanical properties, including bulk modulus ( B), shear modulus ( G), Young's modulus ( E) and Poisson's ratio ( ν) as well as the Vickers hardness ( H v), have been calculated for fluorapatite compound and compared with other theoretical and experimental results. The obtained values of the shear modulus, Young's modulus and Vickers hardness are smaller in comparison with those of lithium disilicate compound, implying that lithium disilicate is more rigid than fluorapatite. The brittle and ductile properties were also discussed using B/ G ratio and Poisson's ratio. Optical properties such as refractive index n( ω), extinction coefficient k( ω), absorption coefficient α( ω) and optical reflectivity R( ω) have been determined from the calculations of the complex dielectric function ɛ( ω), and interpreted on the basis of the electronic structures of both compounds. The calculated values of static dielectric constant ɛ 1(0) and static refractive index n(0) show that the Li2Si2O5 compound has larger values compared to those of the Ca5(PO4)3F compound. The results of the extinction coefficient show that Li2Si2O5 compound exhibits a much stronger ultraviolet absorption. According to the absorption and reflectivity spectra, we inferred that both compounds are theoretically the best visible and infrared transparent materials.

Biomimetic/Optical Sensors for Detecting Bacterial Species

NASA Technical Reports Server (NTRS)

Homer, Margie; Ksendzov, Alexander; Yen, Shiao-Pin; Ryan, Margaret; Lazazzera, Beth

2006-01-01

Biomimetic/optical sensors have been proposed as means of real-time detection of bacteria in liquid samples through real-time detection of compounds secreted by the bacteria. Bacterial species of interest would be identified through detection of signaling compounds unique to those species. The best-characterized examples of quorum-signaling compounds are acyl-homoserine lactones and peptides. Each compound, secreted by each bacterium of an affected species, serves as a signal to other bacteria of the same species to engage in a collective behavior when the population density of that species reaches a threshold level analogous to a quorum. A sensor according to the proposal would include a specially formulated biomimetic film, made of a molecularly imprinted polymer (MIP), that would respond optically to the signaling compound of interest. The MIP film would be integrated directly onto an opticalwaveguide- based ring resonator for optical readout. Optically, the sensor would resemble the one described in Chemical Sensors Based on Optical Ring Resonators (NPO-40601), NASA Tech Briefs, Vol. 29, No. 10 (October 2005), page 32. MIPs have been used before as molecular- recognition compounds, though not in the manner of the present proposal. Molecular imprinting is an approach to making molecularly selective cavities in a polymer matrix. These cavities function much as enzyme receptor sites: the chemical functionality and shape of a cavity in the polymer matrix cause the cavity to bind to specific molecules. An MIP matrix is made by polymerizing monomers in the presence of the compound of interest (template molecule). The polymer forms around the template. After the polymer solidifies, the template molecules are removed from the polymer matrix by decomplexing them from their binding sites and then dissolving them, leaving cavities that are matched to the template molecules in size, shape, and chemical functionality. The cavities thus become molecular-recognition sites that bind only to molecules matched to the sites; other molecules are excluded. In a sensor according to the proposal, the MIP would feature molecular recognition sites that would bind the specific signaling molecules selectively according to their size, shape, and chemical functionality (see figure). As the film took up the signaling molecules in the molecular recognition sites, the index of refraction and thickness of the film would change, causing a wavelength shift of the peak of the resonance spectrum. It has been estimated that by measuring this wavelength shift, it should be possible to detect as little as 10 picomoles of a peptide signaling compound.

Efficient light collection from crystal scintillators using a compound parabolic concentrator coupled to an avalanche photodiode

NASA Astrophysics Data System (ADS)

Jenke, P. A.; Briggs, M. S.; Bhat, P. N.; Reardon, P.; Connaughton, V.; Wilson-Hodge, C.

2013-09-01

In support of improved gamma-ray detectors for astrophysics and observations of Terrestrial Gamma-ray Flashes (TGFs), we have designed a new approach for the collection and detection of optical photons from scintillators such as Sodium Iodide and Lanthanum Bromide using a light concentrator coupled to an Avalanche photodiode (APD). The APD has many advantages over traditional photomultiplier tubes such as their low power consumption, their compact size, their durability, and their very high quantum efficiency. The difficulty in using these devices in gamma-ray astronomy has been coupling their relatively small active area to the large scintillators necessary for gamma-ray science. Our solution is to use an acrylic Compound Parabolic Concentrator (CPC) to match the large output area of the scintillation crystal to the smaller photodiode. These non-imaging light concentrators exceed the light concentration of focused optics and are light and inexpensive to produce. We present our results from the analysis and testing of such a system including gains in light collecting efficiency, energy resolution of nuclear decay lines, as well as our design for a new, fast TGF detector.

Experimental (FTIR, Raman, UV-visible and PL) and theoretical (DFT and TDDFT) studies on bis(8-hydroxyquinolinium) tetrachlorocobaltate(II) compound

NASA Astrophysics Data System (ADS)

Chaouachi, Soumaya; Elleuch, Slim; Hamdi, Besma; Zouari, Ridha

2016-12-01

The purpose of this paper is to present the chemical preparation, crystal structure, vibrational study and optical features for new organic-inorganic compound [C9H8NO]2CoCl4 abbreviated [8-HQ]2CoCl4. The structural study by X-ray diffraction prove that this compound crystallize in a monoclinic unit-cell with space group C2/c (point group 2/m = C2h). It is built of tetrahedra [CoCl4]2- anions and (C9H8NO)+ cations in the 1/2 ratio. The crystal structure is stabilized by network three-dimensional of Nsbnd H⋯Cl, Nsbnd H⋯O, Osbnd H⋯Cl, Csbnd H⋯Cl hydrogen bonds, and offset π-π stacking interactions. Also, the Hirshfeld Surface projections and Fingerprint plots were elucidated the relative contribution of the type, nature and explore the H⋯Cl, C⋯H, C⋯C, C⋯N, H⋯O intermolecular contacts in the crystal in a visual manner. Furthermore, vibrational analysis of the structural groups in the compound was carried out by both Fourier transforms infrared (FT-IR) and Raman spectra. The spectral data are complemented by good information at the region characteristic of metal-ligand, which evidences coordination through the compound. The optical properties of the crystal were studied by using optical absorption UV-visible and photoluminescence (PL) spectroscopy studies. Theoretical calculations were performed using density functional theory (DFT) at (DFT/B3LYP/LanL2DZ) level in the aim of aiding in studying structural, vibrational and optical properties of the investigated compound. Good relationship consistency is found between the experimental and theoretical studies. Inspection of the optical properties has lead to confirm the exhibition of a green photoluminescence and the occurrence of charge transfer phenomenon in this material.

Optical characterization of a low solubility organic compound.

PubMed

Huber, H E

1981-10-01

The X, Y, and Z principal vibration directions along with the principal refractive indexes, optic angle, optical sign, birefringence, optical orientation, and crystal system for the low solubility compound 5-(tetradecyloxy)-2-furancarboxylic acid were determined with a polarizing microscope and spindle stage. The X and Z principal vibration directions are not coincident with the a and c crystallographic axes; however, the Y direction is considered to be coincident with the b axis. Therefore, the crystal is assigned to the monoclinic crystal system. The bladed/lath-shaped crystals rest on one of the two large orthopinacoid (100) faces and present the microscopist with a single plane of optical symmetry. A beta refractive index of 1.555 is observed with the crystal axis of elongation parallel to the polarizer, and a gamma of 1.600-1.660 is observed in the contiguous extinction position. Determination of the optic angle principal vibration directions, and principal refractive indexes was facilitated by mounting the crystals on a spindle stage for rotation about the b crystallographic axis (optic normal).

Biologically inspired artificial compound eyes.

PubMed

Jeong, Ki-Hun; Kim, Jaeyoun; Lee, Luke P

2006-04-28

This work presents the fabrication of biologically inspired artificial compound eyes. The artificial ommatidium, like that of an insect's compound eyes, consists of a refractive polymer microlens, a light-guiding polymer cone, and a self-aligned waveguide to collect light with a small angular acceptance. The ommatidia are omnidirectionally arranged along a hemispherical polymer dome such that they provide a wide field of view similar to that of a natural compound eye. The spherical configuration of the microlenses is accomplished by reconfigurable microtemplating, that is, polymer replication using the deformed elastomer membrane with microlens patterns. The formation of polymer waveguides self-aligned with microlenses is also realized by a self-writing process in a photosensitive polymer resin. The angular acceptance is directly measured by three-dimensional optical sectioning with a confocal microscope, and the detailed optical characteristics are studied in comparison with a natural compound eye.

Electronic and optical properties of RESn{sub 3} (RE=Pr & Nd) intermetallics: A first principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pagare, G., E-mail: gita-pagare@yahoo.co.in; Abraham, Jisha A.; Department of Physics, National Defence Academy, Pune-411023

2015-06-24

A theoretical study of structural, electronic and optical properties of RESn{sub 3} (RE = Pr & Nd) intermetallics have been investigated systematically using first principles density functional theory. The calculations are carried out within the PBE-GGA and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and the calculated lattice parameters show well agreement with the experimental results. We first time predict elastic constants for these compounds. From energy dispersion curves, it is found that these compounds are metallic in nature. The linearmore » optical response of these compounds are also studied and the higher value of static dielectric constant shows the possibility to use them as good dielectric materials.« less

Synthesis and Characterization of Novel Nonlinear Optical Materials

NASA Astrophysics Data System (ADS)

Liang, Cheryl Shuang

1992-01-01

Nonlinear optic materials are becoming increasingly important because of their many technological applications, such as second harmonic generation (SHG), optical switching, and waveguides for optical transmission. Currently, there is a demand for crystals transparent in the UV region, which would make the third and higher harmonic generations feasible. Compounds with the general stoichiometry ABCO _4 structural systems have shown to be promising candidates for frequency doubling into the UV region. The stuffed tridymite structure in which these ABCO_4 compounds crystallize is very tolerant to substitution, and over two hundred compounds have been synthesized up to date. While the presently available theories of optical nonlinearity have been applied to many inorganic solids, the threatened structure theory applied for ferroelectric properties can also be used to describe the structure/property relationship in the ABCO_4 structural family. Compounds synthesized for this study, ALiPO_4 (A = Sr, Ba, Pb) have shown that the SHG of these materials can be maximized by bringing each system close to its structural phase transition or by inducing stress in the pure phase structure. Studies have shown that the dielectric coefficients of KNbO_3 increase by more than tenfold with tantalum doping. This prompted the investigation of a mixed niobium/tantalum containing channelled tetrahedra/octahedra open framework, K_{2/3}Li _{1/3}Nb_ {rm 2-x}Ta_{ rm x}PO_8. These compounds are capable of ion exchange, where other cations are used to replace potassium. The cation-framework interaction mimics the guest-host relationship characteristic of many traditional zeolitic materials. This interaction also enables us to determine the role of the cation in framework polarizability, which can be measured by SHG intensities. Through ion exchange, many isostructural compounds can be made at low temperatures. A family of layered rubidium niobium/tantalum oxide compounds have been synthesized in an extension of the investigation of the above host-guest interaction. X -ray diffraction data have shown successful incorporation of n-butyl ammonium chloride followed by exchange of an organic salt which has very large SHG intensity, N-methylstilbazolium chloride, into the layers.

Growth, spectral, optical, laser damage threshold and DFT investigations on 2-amino 4-methyl pyridinium 4-methoxy benzoate (2A4MP4MB): A potential organic third order nonlinear optical material for optoelectronic applications

NASA Astrophysics Data System (ADS)

Krishnakumar, M.; Karthick, S.; Thirupugalmani, K.; Babu, B.; Vinitha, G.

2018-05-01

In present investigation, single crystals of organic charge transfer complex, 2-amino-4-methyl pyridinium-4-methoxy benzoate (2A4MP4MB) was grown by controlled slow evaporation solution growth technique using methanol as a solvent at room temperature. Single crystal XRD analysis confirmed the crystal system and lattice parameters of 2A4MP4MB. The crystalline nature, presence of various vibrational modes and other chemical bonds in the compound have been recognized and confirmed by powder X-ray diffraction, FT-IR and FT-Raman spectroscopic techniques respectively. The presence of various proton and carbon positions in title compound was confirmed using 1H NMR and 13C NMR spectral studies. The wide optical operating window and cut-off wavelength were identified and band gap value of the title compound was calculated using UV-vis-NIR study. The specific heat capacity (cp) values of the title compound, 1.712 J g-1·K-1 at 300 K and 13.6 J g-1 K-1 at 433 K (melting point) were measured using Modulated Differential Scanning Calorimetric studies (MDSC). From Z-scan study, nonlinear refractive index (n2), nonlinear absorption (β) and third order nonlinear susceptibility (χ(3)) values were determined. The self-defocusing effect and saturable absorption behavior of the material were utilized to exhibit the optical limiting action at λ = 532 nm by employing the same continuous wave (cw) Nd: YAG laser source. The laser damage threshold (LDT) study of title compound was carried out using Nd: YAG laser of 532 nm wavelength. The Vickers' micro hardness test was carried out at room temperature and obtained results were investigated using classical Meyer's law. In addition, DFT calculations were carried out for the first time for this compound. These characterization studies performed on the title compound planned to probe the valuable and safe region of optical, thermal and mechanical properties to improve efficacy of 2A4MP4MB single crystals in optoelectronic device applications.

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

NASA Astrophysics Data System (ADS)

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.

Dense-array concentrator photovoltaic system using non-imaging dish concentrator and crossed compound parabolic concentrator

NASA Astrophysics Data System (ADS)

Chong, Kok-Keong; Yew, Tiong-Keat; Wong, Chee-Woon; Tan, Ming-Hui; Tan, Woei-Chong; Lai, An-Chow; Lim, Boon-Han; Lau, Sing-Liong; Rahman, Faidz Abdul

2015-04-01

Solar concentrating device plays an important role by making use of optical technology in the design, which can be either reflector or lens to deliver high flux of sunlight onto the Concentrator Photovoltaic (CPV) module receiver ranging from hundreds to thousand suns. To be more competitive compared with fossil fuel, the current CPV systems using Fresnel lens and Parabolic dish as solar concentrator that are widely deployed in United States, Australia and Europe are facing great challenge to produce uniformly focused sunlight on the solar cells as to reduce the cost of electrical power generation. The concept of non-imaging optics is not new, but it has not fully explored by the researchers over the world especially in solving the problem of high concentration solar energy, which application is only limited to be a secondary focusing device or low concentration device using Compound Parabolic Concentrator. With the current advancement in the computer processing power, we has successfully invented the non-imaging dish concentrator (NIDC) using numerical simulation method to replace the current parabolic dish as primary focusing device with high solar concentration ratio (more than 400 suns) and large collective area (from 25 to 125 m2). In this paper, we disclose our research and development on dense array CPV system based on non-imaging optics. The geometry of the NIDC is determined using a special computational method. In addition, an array of secondary concentrators, namely crossed compound parabolic concentrators, is also proposed to further focus the concentrated sunlight by the NIDC onto active area of solar cells of the concentrator photovoltaic receiver. The invention maximizes the absorption of concentrated sunlight for the electric power generation system.

Fiber optic micromirror sensor for volatile organic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butler, M.A.; Ricco, A.J.; Buss, R.

With the growing concern over environmental pollution, there is a need for sensors to locate and measure the distribution of a wide range of pollutants. In this paper the authors report a fiber optic sensor, based on a thin film micromirror, which responds to a wide range of volatile organic compounds (VOCs). This generic class of sensor will be useful for monitoring applications where the pollutant has already been identified.

Tuning of electronic band gaps and optoelectronic properties of binary strontium chalcogenides by means of doping of magnesium atom(s)- a first principles based theoretical initiative with mBJ, B3LYP and WC-GGA functionals

NASA Astrophysics Data System (ADS)

Debnath, Bimal; Sarkar, Utpal; Debbarma, Manish; Bhattacharjee, Rahul; Chattopadhyaya, Surya

2018-02-01

First principle based theoretical initiative is taken to tune the optoelectronic properties of binary strontium chalcogenide semiconductors by doping magnesium atom(s) into their rock-salt unit cells at specific concentrations x = 0.0, 0.25, 0.50, 0.75 and 1.0 and such tuning is established by studying structural, electronic and optical properties of designed binary compounds and ternary alloys employing WC-GGA, B3LYP and mBJ exchange-correlation functionals. Band structure of each compound is constructed and respective band gaps under all the potential schemes are measured. The band gap bowing and its microscopic origin are calculated using quadratic fit and Zunger's approach, respectively. The atomic and orbital origins of electronic states in the band structure of any compound are explored from its density of states. The nature of chemical bonds between the constituent atoms in each compound is explored from the valence electron density contour plots. Optical properties of any specimen are explored from the computed spectra of its dielectric function, refractive index, extinction coefficient, normal incidence reflectivity, optical conductivity optical absorption and energy loss function. Several calculated results are compared with available experimental and earlier theoretical data.

Two new pyrrolo-2-aminoimidazoles from a Myanmarese marine sponge, Clathria prolifera.

PubMed

Woo, So-Yeun; Win, Nwet Nwet; Wong, Chin Piow; Ito, Takuya; Hoshino, Shotaro; Ngwe, Hla; Aye, Aung Aung; Han, Nang Mya; Zhang, Huiping; Hayashi, Fumiaki; Abe, Ikuro; Morita, Hiroyuki

2018-06-01

Marine organisms such as marine sponges and soft corals are valuable sources of pharmacologically active secondary metabolites. In our ongoing research on the discovery of new secondary metabolites from marine organisms, two new pyrrolo-2-aminoimidazoles, clathriroles A (1) and B (2), were isolated from the water-soluble portion prepared from the methanol and acetone (2:1) extract of the marine sponge, Clathria prolifera, collected in Myanmar. The chemical structures of the isolated compounds were determined using extensive spectroscopic techniques, including NMR, HRESIMS, IR, and optical rotation, and comparisons with the reported literature. The spectroscopic analyses of 1 and 2 suggested that 1 is an enantiomer of antifungal N-methylmanzacidin C isolated from the marine sponge Axinella brevistyla, whereas 2 is a diastereomer of manzacidin D at C-11 isolated from the marine sponge Astrosclera willeyana. To the best of our knowledge, this is the first report of the isolation of the pyrrolo-2-aminoimidazole compounds from C. prolifera. Furthermore, in contrast to the potency of N-methylmanzacidin C against Saccharomyces cerevisiae, the antifungal assay revealed that 1 and 2 lack any activity against this strain. Thus, these observations may suggest that the absolute configurations at both C-9 and C-11 play an important role in controlling the antifungal activity of this type of compound.

Quantum Efficiency and Bandgap Analysis for Combinatorial Photovoltaics: Sorting Activity of Cu–O Compounds in All-Oxide Device Libraries

PubMed Central

2014-01-01

All-oxide-based photovoltaics (PVs) encompass the potential for extremely low cost solar cells, provided they can obtain an order of magnitude improvement in their power conversion efficiencies. To achieve this goal, we perform a combinatorial materials study of metal oxide based light absorbers, charge transporters, junctions between them, and PV devices. Here we report the development of a combinatorial internal quantum efficiency (IQE) method. IQE measures the efficiency associated with the charge separation and collection processes, and thus is a proxy for PV activity of materials once placed into devices, discarding optical properties that cause uncontrolled light harvesting. The IQE is supported by high-throughput techniques for bandgap fitting, composition analysis, and thickness mapping, which are also crucial parameters for the combinatorial investigation cycle of photovoltaics. As a model system we use a library of 169 solar cells with a varying thickness of sprayed titanium dioxide (TiO2) as the window layer, and covarying thickness and composition of binary compounds of copper oxides (Cu–O) as the light absorber, fabricated by Pulsed Laser Deposition (PLD). The analysis on the combinatorial devices shows the correlation between compositions and bandgap, and their effect on PV activity within several device configurations. The analysis suggests that the presence of Cu4O3 plays a significant role in the PV activity of binary Cu–O compounds. PMID:24410367

Compound focusing mirror and X-ray waveguide optics for coherent imaging and nano-diffraction.

PubMed

Salditt, Tim; Osterhoff, Markus; Krenkel, Martin; Wilke, Robin N; Priebe, Marius; Bartels, Matthias; Kalbfleisch, Sebastian; Sprung, Michael

2015-07-01

A compound optical system for coherent focusing and imaging at the nanoscale is reported, realised by high-gain fixed-curvature elliptical mirrors in combination with X-ray waveguide optics or different cleaning apertures. The key optical concepts are illustrated, as implemented at the Göttingen Instrument for Nano-Imaging with X-rays (GINIX), installed at the P10 coherence beamline of the PETRA III storage ring at DESY, Hamburg, and examples for typical applications in biological imaging are given. Characteristic beam configurations with the recently achieved values are also described, meeting the different requirements of the applications, such as spot size, coherence or bandwidth. The emphasis of this work is on the different beam shaping, filtering and characterization methods.

A fiber optic temperature sensor based on the combination of epoxy and glass particles with different thermo-optic coefficients

NASA Astrophysics Data System (ADS)

Wildner, Wolfgang; Drummer, Dietmar

2016-12-01

This paper describes the development and function of an optical fiber temperature sensor made out of a compound of epoxy and optical glass particles. Because of the different thermo-optic coefficients of these materials, this compound exhibits a strong wavelength and temperature dependent optical transmission, and it therefore can be employed for fiber optic temperature measurements. The temperature at the sensor, which is integrated into a polymer optical fiber (POF), is evaluated by the ratio of the transmitted intensity of two different light-emitting diodes (LED) with a wavelength of 460 nm and 650 nm. The material characterization and influences of different sensor lengths and two particle sizes on the measurement result are discussed. The temperature dependency of the transmission increases with smaller particles and with increasing sensor length. With glass particles with a diameter of 43 μm and a sensor length of 9.8 mm, the intensity ratio of the two LEDs decreases by 60% within a temperature change from 10°C to 40°C.

[Study on the effect of rhizoma Chuanxiong, radix paeoniae rubra and the compound of their active ingredients, Xiongshao Capsule, on stability of atherosclerotic plaque in ApoE(-/-) mice].

PubMed

Xu, Hao; Wen, Chuan; Chen, Ke-Ji

2007-06-01

To observe the effect of Rhizoma chuanxiong (RC), Radix Paeoniae rubra (RP) and Xiongshao Capsule (XC, a compound of their active ingredients, Chuanxingols and Paeoniflorins) on stability of atherosclerotic plaque in ApoE-/- mice and to explore the probable mechanisms. The effect of RC, RP and XC in stabilizing atherosclerotic plaque, in terms of pathologic morphology, cell composition and inflammatory reaction, in the atherosclerosis model established on ApoE-/- mice was studied by using optical microscope, immunohistochemical method and computerized imaging analysis respectively. After the ApoE-/- mice being fed with high fat diet for 26 weeks, obvious atherosclerotic lesion with typical unstable characteristics was found in their aortic root. Both RC and RP had certain effects in lowering total cholesterol and increasing the thickness of fibre cap. RC could also lower the serum triglyceride (TC) level and the lipid-core/plaque area ratio as well as reduce the macrocytic infiltration. In addition to the same effects as above mentioned, XS could also raise the levels of high density lipoprotein-cholesterol (HDL-C), lower TC/HDL-C ratio, reduce inflammatory reaction and enlarge the collagen area in plaque. The acting links of RC and RP on atherosclerosis are different, the compound of their active ingredients, XS, shows a more evident effect in intervening unstable plaque. It demonstrates the effect-enhancing power of TCM compound and is worth further studying.

Antioxidant phytochemicals in fresh produce: exploitation of genotype variation and advancements in analytical protocols

NASA Astrophysics Data System (ADS)

Manganaris, George A.; Goulas, Vlasios; Mellidou, Ifigeneia; Drogoudi, Pavlina

2017-12-01

Horticultural commodities (fruit and vegetables) are the major dietary source of several bioactive compounds of high nutraceutical value for humans, including polyphenols, carotenoids and vitamins. The aim of the current review was dual. Firstly, towards the eventual enhancement of horticultural crops with bio-functional compounds, the natural genetic variation in antioxidants found in different species and cultivar/genotypes is underlined. Notably, some landraces and/or traditional cultivars have been characterized by substantially higher phytochemical content, i.e. small tomato of Santorini island (cv. ‘Tomataki Santorinis’) possesses appreciably high amounts of ascorbic acid. The systematic screening of key bioactive compounds in a wide range of germplasm for the identification of promising genotypes and the restoration of key gene fractions from wild species and landraces may help in reducing the loss of agro-biodiversity, creating a healthier ‘gene pool’ as the basis of future adaptation. Towards this direction, large scale comparative studies in different cultivars/genotypes of a given species provide useful insights about the ones of higher nutritional value. Secondly, the advancements in the employment of analytical techniques to determine the antioxidant potential through a convenient, easy and fast way are outlined. Such analytical techniques include electron paramagnetic resonance (EPR) and infrared (IR) spectroscopy, electrochemical and chemometric methods, flow injection analysis (FIA), optical sensors and high resolution screening (HRS). Taking into consideration that fruits and vegetables are complex mixtures of water- and lipid-soluble antioxidants, the exploitation of chemometrics to develop “omics” platforms (i.e. metabolomics, foodomics) is a promising tool for researchers to decode and/or predict antioxidant activity of fresh produce. For industry, the use of cheap and rapid optical sensors and IR spectroscopy is recommended to estimate the antioxidant activity, hence legislation does not allow its correlation with health claims.

Antioxidant Phytochemicals in Fresh Produce: Exploitation of Genotype Variation and Advancements in Analytical Protocols.

PubMed

Manganaris, George A; Goulas, Vlasios; Mellidou, Ifigeneia; Drogoudi, Pavlina

2017-01-01

Horticultural commodities (fruit and vegetables) are the major dietary source of several bioactive compounds of high nutraceutical value for humans, including polyphenols, carotenoids and vitamins. The aim of the current review was dual. Firstly, toward the eventual enhancement of horticultural crops with bio-functional compounds, the natural genetic variation in antioxidants found in different species and cultivars/genotypes is underlined. Notably, some landraces and/or traditional cultivars have been characterized by substantially higher phytochemical content, i.e., small tomato of Santorini island (cv. "Tomataki Santorinis") possesses appreciably high amounts of ascorbic acid (AsA). The systematic screening of key bioactive compounds in a wide range of germplasm for the identification of promising genotypes and the restoration of key gene fractions from wild species and landraces may help in reducing the loss of agro-biodiversity, creating a healthier "gene pool" as the basis of future adaptation. Toward this direction, large scale comparative studies in different cultivars/genotypes of a given species provide useful insights about the ones of higher nutritional value. Secondly, the advancements in the employment of analytical techniques to determine the antioxidant potential through a convenient, easy and fast way are outlined. Such analytical techniques include electron paramagnetic resonance (EPR) and infrared (IR) spectroscopy, electrochemical, and chemometric methods, flow injection analysis (FIA), optical sensors, and high resolution screening (HRS). Taking into consideration that fruits and vegetables are complex mixtures of water- and lipid-soluble antioxidants, the exploitation of chemometrics to develop "omics" platforms (i.e., metabolomics, foodomics) is a promising tool for researchers to decode and/or predict antioxidant activity of fresh produce. For industry, the use of optical sensors and IR spectroscopy is recommended to estimate the antioxidant activity rapidly and at low cost, although legislation does not allow its correlation with health claims.

Self-assembly micro optical filter

NASA Astrophysics Data System (ADS)

Zhang, Ping (Cerina); Le, Kevin; Malalur-Nagaraja-Rao, Smitha; Hsu, Lun-Chen; Chiao, J.-C.

2006-01-01

Optical communication and sensor industry face critical challenges in manufacturing for system integration. Due to the assembly complexity and integration platform variety, micro optical components require costly alignment and assembly procedures, in which many required manual efforts. Consequently, self-assembly device architectures have become a great interest and could provide major advantages over the conventional optical devices. In this paper, we discussed a self-assembly integration platform for micro optical components. To demonstrate the adaptability and flexibility of the proposed optical device architectures, we chose a commercially available MEMS fabrication foundry service - MUMPs (Multi-User MEMS Process). In this work, polysilicon layers of MUMPS are used as the 3-D structural material for construction of micro component framework and actuators. However, because the polysilicon has high absorption in the visible and near infrared wavelength ranges, it is not suitable for optical interaction. To demonstrate the required optical performance, hybrid integration of materials was proposed and implemented. Organic compound materials were applied on the silicon-based framework to form the required optical interfaces. Organic compounds provide good optical transparency, flexibility to form filters or lens and inexpensive manufacturing procedures. In this paper, we have demonstrated a micro optical filter integrated with self-assembly structures. We will discuss the self-assembly mechanism, optical filter designs, fabrication issues and results.

Compound lens

DOEpatents

Brixner, B.B.; Klein, M.M.; Winkler, M.A.

1980-05-21

The disclosure relates to at least one calcium fluoride optical element used in combination with at least two ordinary crown glass lens elements to greatly reduce secondary spectrum in optical systems.

Compound lens

DOEpatents

Brixner, Berlyn B.; Klein, Morris M.; Winkler, Max A.

1982-01-01

The disclosure relates to at least one calcium fluoride optical element used in combination with at least two ordinary crown glass lens elements to greatly reduce secondary spectrum in optical systems.

Optical imaging of tumor cells in hollow fibers: evaluation of the antitumor activities of anticancer drugs and target validation.

PubMed

Zhang, Guo-Jun; Chen, Tsing-Bau; Bednar, Bohumil; Connolly, Brett M; Hargreaves, Richard; Sur, Cyrille; Williams, David L

2007-08-01

The in vivo hollow fiber assay, in which semipermeable hollow fibers filled with tumor cells, are implanted into animals, was originally developed to screen for anticancer compounds before assessment in more complex tumor models. To enhance screening and evaluation of anticancer drugs, we have applied optical imaging technology to this assay. To demonstrate that tumor cells inside hollow fibers can communicate with the host mice, we have used fluorescence imaging in vivo and CD31 immunostaining ex vivo to show that angiogenesis occurs around cell-filled hollow fibers by 2 weeks after subcutaneous implantation. Bioluminescence imaging has been used to follow the number of luciferase-expressing tumor cells within implanted hollow fibers; proliferation of those cells was found to be significantly inhibited by docetaxel or irinotecan. We also used bioluminescence imaging of hollow fibers to monitor the nuclear factor kappaB (NFkappaB) pathway in vivo; NFkappaB activation by lipopolysaccharide and tumor necrosis factor-alpha was evaluated in tumor cell lines genetically engineered to express luciferase controlled by an NFkappaB-responsive element. These results demonstrate that optical imaging of hollow fibers containing reporter tumor cells can be used for the rapid and accurate evaluation of antitumor activities of anticancer drugs and for measurement of molecular pathways.

Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence† †Electronic supplementary information (ESI) available: General details, synthesis and spectroscopy data of new compounds. Experimental details on optical, chiroptical, electrochemical and on-surface measurements. Crystal data and structure refinement of compounds 1, and 6. Further details on theoretical calculations and Cartesian coordinates of computed structures. VT-H1NMR, 2D-NMR and HRMS spectra of 1. CCDC 1561552 and 1561553. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc00427g

PubMed Central

Cruz, Carlos M.; Márquez, Irene R.; Mariz, Inês F. A.; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M.; Martín-Gago, José A.; Cuerva, Juan M.

2018-01-01

Herein we describe a distorted ribbon-shaped nanographene exhibiting unprecedented combination of optical properties in graphene-related materials, namely upconversion based on two-photon absorption (TPA-UC) together with circularly polarized luminescence (CPL). The compound is a graphene molecule of ca. 2 nm length and 1 nm width with edge defects that promote the distortion of the otherwise planar lattice. The edge defects are an aromatic saddle-shaped ketone unit and a [5]carbohelicene moiety. This system is shown to combine two-photon absorption and circularly polarized luminescence and a remarkably long emission lifetime of 21.5 ns. The [5]helicene is responsible for the chiroptical activity while the push–pull geometry and the extended network of sp2 carbons are factors favoring the nonlinear absorption. Electronic structure theoretical calculations support the interpretation of the results. PMID:29780523

Development of a low cost high precision three-layer 3D artificial compound eye.

PubMed

Zhang, Hao; Li, Lei; McCray, David L; Scheiding, Sebastian; Naples, Neil J; Gebhardt, Andreas; Risse, Stefan; Eberhardt, Ramona; Tünnermann, Andreas; Yi, Allen Y

2013-09-23

Artificial compound eyes are typically designed on planar substrates due to the limits of current imaging devices and available manufacturing processes. In this study, a high precision, low cost, three-layer 3D artificial compound eye consisting of a 3D microlens array, a freeform lens array, and a field lens array was constructed to mimic an apposition compound eye on a curved substrate. The freeform microlens array was manufactured on a curved substrate to alter incident light beams and steer their respective images onto a flat image plane. The optical design was performed using ZEMAX. The optical simulation shows that the artificial compound eye can form multiple images with aberrations below 11 μm; adequate for many imaging applications. Both the freeform lens array and the field lens array were manufactured using microinjection molding process to reduce cost. Aluminum mold inserts were diamond machined by the slow tool servo method. The performance of the compound eye was tested using a home-built optical setup. The images captured demonstrate that the proposed structures can successfully steer images from a curved surface onto a planar photoreceptor. Experimental results show that the compound eye in this research has a field of view of 87°. In addition, images formed by multiple channels were found to be evenly distributed on the flat photoreceptor. Additionally, overlapping views of the adjacent channels allow higher resolution images to be re-constructed from multiple 3D images taken simultaneously.

Self-consistent optimization of [111]-AlGaInAs/InP MQWs structures lasing at 1.55 μm by a genetic algorithm

NASA Astrophysics Data System (ADS)

Saidi, Hosni; Msahli, Melek; Ben Dhafer, Rania; Ridene, Said

2017-12-01

Band structure and optical gain properties of [111]-oriented AlGaInAs/AlGaInAs-delta-InGaAs multi-quantum wells, subjected to piezoelectric field, for the near-infrared lasers diodes applications was proposed and investigated in this paper. By using genetic algorithm based on optimization technique we demonstrate that the structural parameters can be conveniently optimized to achieve high-efficiency laser diode performance at room temperature. In this work, significant optical gain for the wished emission wavelength at 1.55 μm and low threshold injection current are the optimization target. The end result of this optimization is a laser diode based on InP substrate using quaternary compound material of AlGaInAs in both quantum wells and barriers with different composition. It has been shown that the transverse electric polarized optical gain which reaches 3500 cm-1 may be acquired for λ = 1.55 μm with a threshold carrier density Nth≈1.31018cm-3, which is very promising to serve as an alternative active region for high-efficiency near-infrared lasers. Finally, from the design presented here, we show that it is possible to apply this technique to a different III-V compound semiconductors and wavelength ranging from deep-ultra-violet to far infrared.

Optical biosensor for environmental on-line monitoring of naphthalene and salicylate bioavailability with an immobilized bioluminescent catabolic reporter bacterium.

PubMed Central

Heitzer, A; Malachowsky, K; Thonnard, J E; Bienkowski, P R; White, D C; Sayler, G S

1994-01-01

An optical whole-cell biosensor based on a genetically engineered bioluminescent catabolic reporter bacterium was developed for continuous on-line monitoring of naphthalene and salicylate bioavailability and microbial catabolic activity potential in waste streams. The bioluminescent reporter bacterium, Pseudomonas fluorescens HK44, carries a transcriptional nahG-luxCDABE fusion for naphthalene and salicylate catabolism. Exposure to either compound resulted in inducible bioluminescence. The reporter culture was immobilized onto the surface of an optical light guide by using strontium alginate. This biosensor probe was then inserted into a measurement cell which simultaneously received the waste stream solution and a maintenance medium. Exposure under defined conditions to both naphthalene and salicylate resulted in a rapid increase in bioluminescence. The magnitude of the response and the response time were concentration dependent. Good reproducibility of the response was observed during repetitive perturbations with either naphthalene or salicylate. Exposure to other compounds, such as glucose and complex nutrient medium or toluene, resulted in either minor bioluminescence increases after significantly longer response times compared with naphthalene or no response, respectively. The environmental utility of the biosensor was tested by using real pollutant mixtures. A specific bioluminescence response was obtained after exposure to either an aqueous solution saturated with JP-4 jet fuel or an aqueous leachate from a manufactured-gas plant soil, since naphthalene was present in both pollutant mixtures. PMID:8017932

DFT analysis and FDTD simulation of CH3NH3PbI3-x Cl x mixed halide perovskite solar cells: role of halide mixing and light trapping technique

NASA Astrophysics Data System (ADS)

Saffari, Mohaddeseh; Mohebpour, Mohammad Ali; Rahimpour Soleimani, H.; Bagheri Tagani, Meysam

2017-10-01

Since perovskite solar cells have attracted a great deal of attention over the past few years, the enhancement of their optical absorption and current density are among the basic upcoming challenges. For this reason, first, we have studied the structural and optical properties of organic-inorganic hybrid halide perovskite CH3NH3PbI3 and the compounds doped by chlorine halogen CH3NH3PbI3-x Cl x in the cubic phase by using a density functional theory (DFT). Then, we model a single-junction perovskite solar cell based on a full solution to Maxwell’s equations, using a finite difference time domain (FDTD) technique, which helps us to investigate the light absorption efficiency and optical current density of the cell with CH3NH3PbI3-x Cl x (x  =  0, 1, 2, 3) as the active layer. The results suggest that increasing the amount of chlorine in CH3NH3PbI3-x Cl x compound leads to an increase in the bandgap energy, as well as a decrease in the lattice constants and optical properties, like the refractive index and extinction coefficient of the structure. Also, the results obtained by the simulation express that by taking advantage of the light trapping techniques of SiO2, a remarkable increase of light absorption will be achieved to the magnitude of 83.13%, which is noticeable.

Action mechanism of 6, 6'-dihydroxythiobinupharidine from Nuphar japonicum, which showed anti-MRSA and anti-VRE activities.

PubMed

Okamura, Shinya; Nishiyama, Eri; Yamazaki, Tomohiro; Otsuka, Nao; Taniguchi, Shoko; Ogawa, Wakano; Hatano, Tsutomu; Tsuchiya, Tomofusa; Kuroda, Teruo

2015-06-01

Multidrug-resistant bacteria, such as methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin resistant enterococci (VRE), cause serious infections at clinical sites, for which the development of new drugs is necessary. We screened candidates for new antibiotics and investigated its action mechanism. An antimicrobial compound was isolated from an extract of Nuphar japonicum. Its chemical structure was determined by NMR, MS, and optical rotation. We measured its minimum inhibitory concentration (MIC) using the microdilution method. The effects of the compound on DNA gyrase and DNA topoisomerase IV were investigated with DNA supercoiling, decatenation, and cleavage assay. We isolated and identified 6,6'-dihydroxythiobinupharidine as the antimicrobial compound. The MIC of this compound was 1-4 μg/mL against various MRSA and VRE strains. We also demonstrated that this compound inhibited DNA topoisomerase IV (IC50 was 10-15 μM), but not DNA gyrase in S. aureus, both of which are known to be the targets of quinolone antibiotics and necessary for DNA replication. However, this compound only exhibited slight cross-resistance to norfloxacin-resistant S. aureus, which indicated that DTBN might inhibit other targets besides topoisomerase IV. These results suggest that 6,6'-dihydroxythiobinupharidine may be a potent candidate or seed for novel antibacterial agents. DTBN from N. japonicum showed anti-MRSA and anti-VRE activities. DTBN might be involved in the inhibition of DNA topoisomerase IV. DTBN might be useful as a seed compound. The information on the inhibition mechanism of DTBN will be useful for the modification of DTBN towards developing novel anti-MRSA and anti-VRE drug. Copyright © 2015 Elsevier B.V. All rights reserved.

Optical absorption and fluorescence spectroscopy studies of Artepillin C, the major component of green propolis

NASA Astrophysics Data System (ADS)

Camuri, Isamara Julia; Costa, Adriano Batista; Ito, Amando Siuiti; Pazin, Wallance Moreira

2018-06-01

The bioactivity of propolis against several pathogens is well established, leading to the extensive consumption of that bee product to prevent diseases. Brazilian green propolis, collected by the species Apis mellifera, is one of the most consumed in the world. The chemical composition of green propolis is complex and it has been shown that it displays antioxidant, antimicrobial, anti-inflammatory and antitumor activities, especially due to the high content of Artepillin C. The molecule is a derivative of cinnamic acid with two prenylated groups, responsible for the improvement of the affinity of the compound for lipophilic environment. A carboxylic group (COOH) is also present in the molecule, making it a pH-sensitive compound and the pH-dependent structure of Artepillin C, may modulate its biological activity related to interactions with the cellular membrane of organisms and tissues. Molecular properties of Artepillin C on aqueous solution were examined by optical absorption, steady state and time-resolved fluorescence spectroscopies. Acid-base titration based on the spectral position of the near UV absorption band, resulted in the pKa value of 4.65 for the carboxylic group in Artepillin C. In acidic pH, below the pKa value, an absorption band raised around 350 nm at Artepillin C concentration above 50 μM, due to aggregation of the molecule. In neutral pH, with excitation at 310 nm, Artepillin C presents dual emission at 400 and 450 nm. In pH close to the pKa, the optical spectra show contribution from both protonated and deprotonated species. A three-exponential function was necessary to fit the intensity decays at the different pHs, dominated by a very short lifetime component, around 0.060 ns. The fast decay resulted in emission before fluorescence depolarization, and in values of fluorescence anisotropy higher than could be expected for monomeric forms of the compound. The results give fundamental knowledge about the protonation-deprotonation state of the molecule, that may be relevant in processes mediated by biological membranes.

Structural and functional characterization of the enantiomers of the antischistosomal drug oxamniquine

DOE PAGES

Taylor, Alexander B.; Pica-Mattoccia, Livia; Polcaro, Chiara M.; ...

2015-10-20

For over two decades, a racemic mixture of oxamniquine (OXA) was administered to patients infected by Schistosoma mansoni, but whether one or both enantiomers exert antischistosomal activity was unknown. Recently, a ~30 kDa S. mansoni sulfotransferase (SmSULT) was identified as the target of OXA action. Here, we separate the OXA enantiomers using chromatographic methods and assign their optical activities as dextrorotary [(+)-OXA] or levorotary [(-)-OXA]. Crystal structures of the parasite enzyme in complex with optically pure (+)-OXA and (-)-OXA) reveal their absolute configurations as S- and R-, respectively. When tested in vitro, S-OXA demonstrated the bulk of schistosomicidal activity, whilemore » R-OXA had antischistosomal effects when present at relatively high concentrations. Crystal structures R-OXA•SmSULT and S-OXA•SmSULT complexes reveal similarities in the modes of OXA binding, but only the S-OXA enantiomer is observed in the structure of the enzyme exposed to racemic OXA. Together the data suggest the higher schistosomicidal activity of S-OXA is correlated with its ability to outcompete R-OXA binding the sulfotransferase active site. In conclusion, these findings have important implications for the design, syntheses, and dosing of new OXA-based antischistosomal compounds.« less

The preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl with Schiff base moieties and the study of their third-order nonlinear optical properties

NASA Astrophysics Data System (ADS)

Yu, Weiguo; Jia, Jianhong; Gao, Jianrong; Han, Liang; Li, Yujin

2016-09-01

Herein we reported the preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl and Schiff base moieties and the study of their third-order nonlinear optical (NLO) properties. Their third-order NLO properties were measured using femtosecond laser and degenerate four-wave mixing (DFWM) technique. The obtained χ(3), n2 and γ values of these molecules were found in the range of 0.998-1.429 × 10-12 esu,1.847-2.646 × 10-11 esu and 1.026-1.449 × 10-30 esu, respectively. The response time ranged from 43.65 fs to 61.71 fs. The results indicate that these compounds have potential nonlinear optical applications.

Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid

NASA Astrophysics Data System (ADS)

Kavimani, M.; Balachandran, V.; Narayana, B.; Vanasundari, K.; Revathi, B.

2018-02-01

Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053 × 10- 30 e.s.u.) and second hyper-polarizabilities (7.6833 × 10- 36 e.s.u.) of the title compound. The Multiwfn package is used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the molecule and examined by reduced density gradient. The molecular electrostatic potential (MEP) analysis used to find the most reactive sites for the electrophilic and nucleophilic attack. The chemical activity (electronegativity, hardness, chemical softness and chemical potential) of the title compound was predicted with the help of HOMO-LUMO energy values. The natural bond orbital (NBO) has been analyzed the stability of the molecule arising from the hyper-conjugative interaction. DSSCs were discussed in structural modifications that improve the electron injection efficiency of the title compound (MPA). The Fukui functions are calculated in order to get information associated with the local reactivity properties of the title compound. The binding sites of the two receptors were reported by molecular docking field and active site bond distance is same 1.9 Å. The inhibitor of the title compound forms a stable complex with 1QYV and 2H1K proteins at the binding energies are - 5.38 and - 5.85 (Δ G in kcal/mol).

Viscosity-active D-π-A chromophores derived from benzo[b]thiophen-3(2H)-one 1,1-dioxide (BTD): Synthesis, photophysical, and NLO properties.

PubMed

Bhagwat, Archana A; Mohbiya, Dhanraj R; Avhad, Kiran C; Sekar, Nagaiyan

2018-10-05

Donor-π-Acceptor (D-π-A) compounds comprising of benzo[b]thiophen-3(2H)-one 1,1-dioxide (BTD) as acceptor with dibenzofuran, carbazole, triphenylamine, and N-methyl diphenylamine moieties as donors were synthesized for aggregation, viscosity induced emission enhancement and nonlinear optical studies. Compounds 3a-3d exhibited solid state emission. The compounds 3a-3d are viscosity sensitive in a solution of MeOH: PEG-400 and showed 10, 23, 14, and 25 fold viscosity induced enhanced emission. The compounds 3a, 3c, and 3d are aggregation-induced emission enhancement (AIEE) active while 3b quenches the fluorescence on aggregation. The quantum yield of 3a, 3c, and 3d in acetonitrile are 0.041, 0.002 and 0.002 which are enhanced in the aggregate state to 0.31, 0.009, and 0.22 respectively. Solvent-dependent parameters like dipole moment (μ), static polarizability (α), and hyperpolarizability (β and γ) were determined spectroscopically and using Density Functional Theory (DFT) calculations. First and second order hyperpolarizability increase as donor strength increases and the trend is found as 3a < 3b < 3c < 3d. Two-photon absorption (2PA) cross sections were calculated by the spectroscopic method, and large 2PA was observed 484.39 GM for compound 3c. Copyright © 2017. Published by Elsevier B.V.

Magneto-optical spectroscopy of Co{sub 2}FeSi Heusler compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veis, M., E-mail: veis@karlov.mff.cuni.cz; Beran, L.; Antos, R.

2014-05-07

Magneto-optical and electronic properties of the Co{sub 2}FeSi Heusler compound were studied by polar Kerr magneto-optical spectroscopy and ab-initio calculations. The thin-film samples were grown by dc/rf magnetron co-sputtering on MgO(100) substrates. A Cr seed layer was deposited prior to the Co{sub 2}FeSi layer to achieve its epitaxial growth. The magneto-optical spectroscopy was carried out using generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.4 to 5.5 eV with an applied magnetic field of up to 1.2 T. The polar Kerr spectra showed a smooth spectral behavior up to 5.5 eV indicating nearly free charge carriers. Experimental data weremore » compared with ab-initio calculations based on density functional theory employing the full-potential linearized augmented plane wave method.« less

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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.

A Prototype Sensor for In Situ Sensing of Fine Particulate Matter and Volatile Organic Compounds

PubMed Central

Ng, Chee-Loon; Kai, Fuu-Ming; Tee, Ming-Hui; Tan, Nicholas; Hemond, Harold F.

2018-01-01

Air pollution exposure causes seven million deaths per year, according to the World Health Organization. Possessing knowledge of air quality and sources of air pollution is crucial for managing air pollution and providing early warning so that a swift counteractive response can be carried out. An optical prototype sensor (AtmOptic) capable of scattering and absorbance measurements has been developed to target in situ sensing of fine particulate matter (PM2.5) and volatile organic compounds (VOCs). For particulate matter testing, a test chamber was constructed and the emission of PM2.5 from incense burning inside the chamber was measured using the AtmOptic. The weight of PM2.5 particles was collected and measured with a filter to determine their concentration and the sensor signal-to-concentration correlation. The results of the AtmOptic were also compared and found to trend well with the Dylos DC 1100 Pro air quality monitor. The absorbance spectrum of VOCs emitted from various laboratory chemicals and household products as well as a two chemical mixtures were recorded. The quantification was demonstrated, using toluene as an example, by calibrating the AtmOptic with compressed gas standards containing VOCs at different concentrations. The results demonstrated the sensor capabilities in measuring PM2.5 and volatile organic compounds. PMID:29346281

A Prototype Sensor for In Situ Sensing of Fine Particulate Matter and Volatile Organic Compounds.

PubMed

Ng, Chee-Loon; Kai, Fuu-Ming; Tee, Ming-Hui; Tan, Nicholas; Hemond, Harold F

2018-01-18

Air pollution exposure causes seven million deaths per year, according to the World Health Organization. Possessing knowledge of air quality and sources of air pollution is crucial for managing air pollution and providing early warning so that a swift counteractive response can be carried out. An optical prototype sensor (AtmOptic) capable of scattering and absorbance measurements has been developed to target in situ sensing of fine particulate matter (PM2.5) and volatile organic compounds (VOCs). For particulate matter testing, a test chamber was constructed and the emission of PM2.5 from incense burning inside the chamber was measured using the AtmOptic. The weight of PM2.5 particles was collected and measured with a filter to determine their concentration and the sensor signal-to-concentration correlation. The results of the AtmOptic were also compared and found to trend well with the Dylos DC 1100 Pro air quality monitor. The absorbance spectrum of VOCs emitted from various laboratory chemicals and household products as well as a two chemical mixtures were recorded. The quantification was demonstrated, using toluene as an example, by calibrating the AtmOptic with compressed gas standards containing VOCs at different concentrations. The results demonstrated the sensor capabilities in measuring PM2.5 and volatile organic compounds.

Nano-Scale Fabrication Using Optical-Near-Field

NASA Astrophysics Data System (ADS)

Yatsui, Takashi; Ohtsu, Motoichi

This paper reviews the specific nature of nanophotonics, i.e., a novel optical nano-technology, utilizing dressed photon excited in the nano-material. As examples of nanophotnic fabrication, optical near-field etching and increased spatial homogeneity of contents in compound semiconductors is demonstrated with a self-organized manner.

Organic solid state switches incorporating porphyrin compounds and method for producing organic solid state optical switches

DOEpatents

Wasielewski, Michael R.; Gaines, George L.; Niemczyk, Mark P.; Johnson, Douglas G.; Gosztola, David J.; O'Neil, Michael P.

1996-01-01

A light-intensity dependent molecular switch comprised of a compound which shuttles an electron or a plurality of electrons from a plurality of electron donors to an electron acceptor upon being stimulated with light of predetermined wavelengths, said donors selected from porphyrins and other compounds, and a method for making said compound.

Crystal growth, perfection, linear and nonlinear optical, photoconductivity, dielectric, thermal and laser damage threshold properties of 4-methylimidazolium picrate: an interesting organic crystal for photonic and optoelectronic devices

NASA Astrophysics Data System (ADS)

Rajesh, K.; Arun, A.; Mani, A.; Praveen Kumar, P.

2016-10-01

The 4-methylimidazolium picrate has been synthesized and characterized successfully. Single and powder x-ray diffraction studies were conducted which confirmed the crystal structure, and the value of the strain was calculated. The crystal perfection was determined by a HRXR diffractometer. The transmission spectrum exhibited a better transmittance of the crystal in the entire visible region with a lower cut-off wavelength of 209 nm. The linear absorption value was calculated by the optical limiting method. A birefringence study was also carried out. Second and third order nonlinear optical properties of the crystal were found by second harmonic generation and the z-scan technique. The crystals were also characterized by dielectric measurement and a photoconductivity analyzer to determine the dielectric property and the optical conductivity of the crystal. The laser damage threshold activity of the grown crystal was studied by a Q-switched Nd:YAG laser beam. Thermal studies established that the compound did not undergo a phase transition and was stable up to 240 °C.

Neurotransmitter measurement with a fiber optic probe using pulsed ultraviolet resonance Raman spectroscopy

NASA Astrophysics Data System (ADS)

Schulze, H. Georg; Greek, L. Shane; Blades, Michael W.; Bree, Alan V.; Gorzalka, Boris B.; Turner, Robin F. B.

1997-05-01

Many techniques have been developed to investigate the chemistry associated with brain activity. These techniques generally fall into two categories: fast techniques with species restricted sensitivity and slow techniques with generally unrestricted species sensitivity. Therefore, a need exists for a fast non-invasive technique sensitive to a wide array of biologically relevant compounds in order to measure chemical brain events in real time. The work presented here describes the progress made toward the development of a novel neurotransmitter probe. A fiber-optic linked Raman and tunable ultraviolet resonance Raman system was assembled with custom designed optical fiber probes. Probes of several different geometries were constructed and their working curves obtained in aqueous mixtures of methyl orange and potassium nitrate to determine the best probe configuration given particular sample characteristics. Using this system, the ultraviolet resonance Raman spectra of some neurotransmitters were measured with a fiber-optic probe and are reported here for the first time. The probe has also been used to measure neurotransmitter secretions obtained from depolarized rat pheochromocytoma cells.

Bibliography of Soviet Laser Developments, Number 39, January - February 1979.

DTIC Science & Technology

1979-11-01

with quantum size effects in the active layers , produced by a continuous (300 K) gas-transport epi- taxy method from metalloorganic compounds. ZhTF P...Chirikov (0). Efficient waveguide CO2 laser. ZhTF P, no. 1, 1979, 25-28. 62. Gordiyets, B.F., A.I. Gudzenko, and V.Ya. Panchenko (1,2). Solar -pumped...p. (RZhF, 2/79, 2D1412) 266. Belanov, A.S., Ye.M. Dianov, and A.M. Prokhorov (1). Data tcansmission over quasi-single-mode three- layer optical

Chiral separation of norlaudanosoline, laudanosoline, laudanosine, chlorthalidone, and three benzoin derivatives using amino acid based molecular micelles.

PubMed

Billiot, Fereshteh H; Billiot, Eugene J; Ng, Yuen Kwun; Warner, Isiah M

2006-02-01

In this study, 18 polymeric single amino acid and dipeptide surfactants are examined, and their performances, in terms of enantioselectivity, are compared for norlaudanosoline, laudanosoline, laudanosine, chlorthalidone, benzoin, benzoin methyl, and benzoin ethyl enantiomers. Several aspects of amino acid-based polymeric surfactants including comparison of single amino acid versus dipeptide, amino acid order, steric effect, and effect of the position of the chiral center of dipeptide surfactants on the chiral selectivity of these optically active compounds are discussed.

Infrared emitting device and method

DOEpatents

Kurtz, S.R.; Biefeld, R.M.; Dawson, L.R.; Howard, A.J.; Baucom, K.C.

1997-04-29

The infrared emitting device comprises a III-V compound semiconductor substrate upon which are grown a quantum-well active region having a plurality of quantum-well layers formed of a ternary alloy comprising InAsSb sandwiched between barrier layers formed of a ternary alloy having a smaller lattice constant and a larger energy bandgap than the quantum-well layers. The quantum-well layers are preferably compressively strained to increase the threshold energy for Auger recombination; and a method is provided for determining the preferred thickness for the quantum-well layers. Embodiments of the present invention are described having at least one cladding layer to increase the optical and carrier confinement in the active region, and to provide for waveguiding of the light generated within the active region. Examples have been set forth showing embodiments of the present invention as surface- and edge-emitting light emitting diodes (LEDs), an optically-pumped semiconductor laser, and an electrically-injected semiconductor diode laser. The light emission from each of the infrared emitting devices of the present invention is in the midwave infrared region of the spectrum from about 2 to 6 microns. 8 figs.

Cholinesterase and Prolyl Oligopeptidase Inhibitory Activities of Alkaloids from Argemone platyceras (Papaveraceae).

PubMed

Siatka, Tomáš; Adamcová, Markéta; Opletal, Lubomír; Cahlíková, Lucie; Jun, Daniel; Hrabinová, Martina; Kuneš, Jiří; Chlebek, Jakub

2017-07-14

Alzheimer's disease is an age-related, neurodegenerative disorder, characterized by cognitive impairment and restrictions in activities of daily living. This disease is the most common form of dementia with complex multifactorial pathological mechanisms. Many therapeutic approaches have been proposed. Among them, inhibition of acetylcholinesterase, butyrylcholinesterase, and prolyl oligopeptidase can be beneficial targets in the treatment of Alzheimer's disease. Roots, along with aerial parts of Argemone platyceras , were extracted with ethanol and fractionated on an alumina column using light petrol, chloroform and ethanol. Subsequently, repeated preparative thin-layer chromatography led to the isolation of (+)-laudanosine, protopine, (-)-argemonine, allocryptopine, (-)-platycerine, (-)-munitagine, and (-)-norargemonine belonging to pavine, protopine and benzyltetrahydroisoquinoline structural types. Chemical structures of the isolated alkaloids were elucidated by optical rotation, spectroscopic and spectrometric analysis (NMR, MS), and comparison with literature data. (+)-Laudanosine was isolated from A. platyceras for the first time. Isolated compounds were tested for human blood acetylcholinesterase, human plasma butyrylcholinesterase and recombinant prolyl oligopeptidase inhibitory activity. The alkaloids inhibited the enzymes in a dose-dependent manner. The most active compound (-)-munitagine, a pavine alkaloid, inhibited both acetylcholinesterase and prolyl oligopeptidase with IC 50 values of 62.3 ± 5.8 µM and 277.0 ± 31.3 µM, respectively.

A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields

NASA Astrophysics Data System (ADS)

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.

Luminogenic cytochrome P450 assays.

PubMed

Cali, James J; Ma, Dongping; Sobol, Mary; Simpson, Daniel J; Frackman, Susan; Good, Troy D; Daily, William J; Liu, David

2006-08-01

Luminogenic cytochrome P450 (CYP) assays couple CYP enzyme activity to firefly luciferase luminescence in a technology called P450-Glo(TM) (Promega). Luminogenic substrates are used in assays of human CYP1A1, -1A2, -1B1, -2C8, -2C9, -2C19, -2D6, -2J2, -3A4, -3A7, -4A11, -4F3B, -4F12 and -19. The assays detect dose-dependent CYP inhibition by test compounds against recombinant CYP enzymes or liver microsomes. Induction or inhibition of CYP activities in cultured hepatocytes is measured in a nonlytic approach that leaves cells intact for additional analysis. Luminogenic CYP assays offer advantages of speed and safety over HPLC and radiochemical-based methods. Compared with fluorogenic methods the approach offers advantages of improved sensitivity and decreased interference between optical properties of test compound and CYP substrate. These homogenous assays are sensitive and robust tools for high-throughput CYP screening in early drug discovery.

Boron chemicals in diagnosis and therapeutics

PubMed Central

Das, Bhaskar C; Thapa, Pritam; Karki, Radha; Schinke, Caroline; Das, Sasmita; Kambhampati, Suman; Banerjee, Sushanta K; Van Veldhuizen, Peter; Verma, Amit; Weiss, Louis M; Evans, Todd

2013-01-01

Advances in the field of boron chemistry have expanded the application of boron from material use to medicine. Boron-based drugs represent a new class of molecules that possess several biomedical applications including use as imaging agents for both optical and nuclear imaging as well as therapeutic agents with anticancer, antiviral, antibacterial, antifungal and other disease-specific activities. For example, bortezomib (Velcade®), the only drug in clinical use with boron as an active element, was approved in 2003 as a proteasome inhibitor for the treatment of multiple myeloma and non-Hodgkin’s lymphoma. Several other boron-based compounds are in various phases of clinical trials, which illustrates the promise of this approach for medicinal chemists working in the area of boron chemistry. It is expected that in the near future, several boron-containing drugs should become available in the market with better efficacy and potency than existing drugs. This article discusses the current status of the development of boron-based compounds as diagnostic and therapeutic agents in humans. PMID:23617429

Synthesis, optical properties and application of a set of novel pyrazole nopinone derivatives

NASA Astrophysics Data System (ADS)

Yang, Jinlai; Xu, Xu; Rui, Jian; Wang, Zhonglong; Zhang, Yan; Wang, Shifa; Wu, Liangru

2017-08-01

Pyrazole derivatives (4-6) were directly synthesized from β-pinene derivative nopinone, and they were characterized by Fourier transform infrared (FTIR) spectoscope, nuclear magnetic resonance (NMR), and mass spectrometry. Their optical properties were investigated by ultraviolet-visible spectroscopy and fluorescence spectroscopy. The three compounds emitted strong blue fluorescence in ethanol. Using a fluorescence quenching method, compound 4 could be used to detect the content (100.57%) of copper sulfate pentahydrate (≥ 99%) with a RSD of 1.98%, y = - 0.1127 × + 2.7148, R2 = 0.9703 (Cu2 +: 0.5-8.0 × 10- 5 mol/L), and compounds 4-6 also had utility of calculating the content of anhydrous ferric chloride at a wide range of concentration. Thus, compounds 4-6 are new functional fluorescents for detecting the content of some purchased products.

COMPARATIVE STUDY OF THREE FUNDAMENTAL ORGANIC COMPOUNDS OF CHAIN STRUCTURE OF THREE RINGS An approach based in the molecular descriptors of the DFT (Density Functional Theory)

NASA Astrophysics Data System (ADS)

Leon, Neira B. Oscar; Fabio, Mejía Elio; Elizabeth, y. Rincón B.

2008-04-01

The organic molecules of a chain structure containing phenyl, oxazole and oxadiazole rings are used in different combinations as active media for tunable lasers. From this viewpoint, we focused in the theoretical study of organic compounds of three rings, which have similar optical properties (fluorescence and laser properties). The main goal of this study is to compare the electronic structure through the analysis of molecular global descriptors defined in the DFT framework of2-[2-X-phenyl]-5-phenyl-1,3-Oxazole, 2-[2-X-phenyl]-5-phenyl-1,3,4-Oxadiazole, and 2-[2-X-phenyl]-5-phenyl-furane with X = H, F and Cl. The basis set used was 6-31G+(d).

Ginkgolides and bilobalide: their physical, chromatographic and spectroscopic properties.

PubMed

van Beek, Teris A

2005-09-01

Ginkgolides A, B, C, J, K, L and M and bilobalide are rare terpene trilactones that have been isolated from leaves and root bark of the Chinese tree Ginkgo biloba. The structures of the highly oxidized ginkgolides were independently elucidated in the 1960s by the groups of Nakanishi and Sakabe. Later these compounds were found to be potent and selective antagonists of platelet activating factor, which fact triggered much new research. During the past 40 years, much physical, chromatographic and spectroscopic data have been published on these compounds in various, sometimes inaccessible, sources. The published melting points, solubility in different solvents, ionization constants, chromatographic behaviour, specific optical rotations, UV, IR, MS and NMR data, and X-ray studies are summarized and, where necessary, discussed. The literature until April 2005 has been reviewed.

BENCAL Cruise Report

NASA Technical Reports Server (NTRS)

Hooker, Stanford B. (Editor); Firestone, Elaine R. (Editor); Barlow, Ray; Sessions, Heather; Silulwane, Nonkqubela; Engel, Hermann; Aiken, James; Fishwick, James; Martinez-Vicente, Victor; Morel, Andre

2003-01-01

This report documents the scientific activities on board the South African Fisheries Research Ship (FRS) Africana during an ocean color calibration and validation cruise in the Benguela upwelling ecosystem (BEN-CAL), 4-17 October 2002. The cruise, denoted Afncana voyage 170, was staged in the southern Benguela between Cape Town and the Orange River within the region 14-18.5 deg E,29-34 deg S, with 15 scientists participat- ing from seven different international organizations. Uniquely in October 2002, four high-precision ocean color sensors were operational, and these included the Moderate Resolution Imaging Spectroradiometer (MODIS) instruments on the Aqua and Terra spacecraft, the Medium Resolution Imaging Spectrometer (MERIS), and the Sea-viewing Wide Field-of-view Sensor (SeaWiFS). SeaWiFS imagery was transmitted daily to the ship to assist in choosing the vessel's course and selecting stations for bio-optical deployments. There were four primary objectives of the cruise. The first was to conduct bio-optical measurements with above- and in-water optical instruments to vicariously calibrate the satellite sensors. The second was to interrelate diverse measurements of the apparent optical properties (AOPs) at satellite sensor wavelengths with inherent optical properties (IOPs) and bio-optically active constituents of seawater such as particles, pigments, and dissolved compounds. The third was to determine the interrelationships between optical properties, phytoplankton pigment composition, photosynthetic rates, and primary production, while the fourth objective was to collect samples for a second pigment round-robin intercalibration experiment. Weather conditions were generally very favorable, and a range of hyperspectral and fixed wavelength AOP instruments were deployed during daylight hours. Various IOP instruments were used to determine the absorption, attenuation, scattering, and backscattering properties of particulate matter and dissolved substances, while a Fast Repetition Rate Fluorometer (FRRF) was deployed to acquire data on phytoplankton photosynthetic activity. Hydrographic profiling was conducted routinely during the cruise, and seawater samples were collected for measurements of salinity, oxygen, inorganic nutrients, pigments, particulate organic carbon, suspended particulate material, and primary production. Location of stations and times of optical deployments were selected to coincide with satellite overpasses whenever possible, and to cover a large range in trophic conditions.

Synthesis, characterization and nonlinear optical properties of symmetrically substituted dibenzylideneacetone derivatives

NASA Astrophysics Data System (ADS)

Sunil Kumar Reddy, N.; Badam, Rajashekar; Sattibabu, Romala; Molli, Muralikrishna; Sai Muthukumar, V.; Siva Sankara Sai, S.; Rao, G. Nageswara

2014-11-01

We report here the nonlinear optical (NLO) properties of eight bis-chalcones of D-π-A-π-D type. These dibenzylideneacetone (DBA) derivatives are synthesized by Claisen-Schmidt reaction. The compounds are characterized by UV-vis, FTIR, 1H NMR, 13C NMR, mass spectroscopy and powder XRD. By substituting different groups (electron withdrawing and electron donating) at 'para' and 'meta' positions of the aromatic ring, we observed an enhancement in second harmonic generation with substitution at 'para' position. These compounds have also showed higher two-photon absorption compared to other chalcones reported in literature. These compounds, exhibiting both second and third order NLO effects, are plausible candidate materials in photonic devices.

A precocious adult visual center in the larva defines the unique optic lobe of the split-eyed whirligig beetle Dineutus sublineatus

PubMed Central

2013-01-01

Introduction Whirligig beetles (Coleoptera: Gyrinidae) are aquatic insects living on the water surface. They are equipped with four compound eyes, an upper pair viewing above the water surface and a lower submerged pair viewing beneath the water surface, but little is known about how their visual brain centers (optic lobes) are organized to serve such unusual eyes. We show here, for the first time, the peculiar optic lobe organization of the larval and adult whirligig beetle Dineutus sublineatus. Results The divided compound eyes of adult whirligig beetles supply optic lobes that are split into two halves, an upper half and lower half, comprising an upper and lower lamina, an upper and lower medulla and a bilobed partially split lobula. However, the lobula plate, a neuropil that in flies is known to be involved in mediating stabilized flight, exists only in conjunction with the lower lobe of the lobula. We show that, as in another group of predatory beetle larvae, in the whirligig beetle the aquatic larva precociously develops a lobula plate equipped with wide-field neurons. It is supplied by three larval laminas serving the three dorsal larval stemmata, which are adjacent to the developing upper compound eye. Conclusions In adult whirligig beetles, dual optic neuropils serve the upper aerial eyes and the lower subaquatic eyes. The exception is the lobula plate. A lobula plate develops precociously in the larva where it is supplied by inputs from three larval stemmata that have a frontal-upper field of view, in which contrasting objects such as prey items trigger a body lunge and mandibular grasp. This precocious lobula plate is lost during pupal metamorphosis, whereas another lobula plate develops normally during metamorphosis and in the adult is associated with the lower eye. The different roles of the upper and lower lobula plates in supporting, respectively, larval predation and adult optokinetic balance are discussed. Precocious development of the upper lobula plate represents convergent evolution of an ambush hunting lifestyle, as exemplified by the terrestrial larvae of tiger beetles (Cicindelinae), in which activation of neurons in their precocious lobula plates, each serving two large larval stemmata, releases reflex body extension and mandibular grasp. PMID:23421712

Organic solid state switches incorporating porphyrin compounds and method for producing organic solid state optical switches

DOEpatents

Wasielewski, M.R.; Gaines, G.L.; Niemczyk, M.P.; Johnson, D.G.; Gosztola, D.J.; O`Neil, M.P.

1996-07-23

A light-intensity dependent molecular switch comprised of a compound which shuttles an electron or a plurality of electrons from a plurality of electron donors to an electron acceptor upon being stimulated with light of predetermined wavelengths, said donors selected from porphyrins and other compounds, and a method for making said compound are disclosed. 4 figs.

Optical filtering and luminescence property of some molybdates prepared by combustion synthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, P. J., E-mail: yadav.pooja75@yahoo.in; Joshi, C. P.; Moharil, S. V., E-mail: svmoharil@yahoo.com

2014-10-15

As an important class of lanthanide inorganic compounds, rare earth ions doped molybdates have gained much attention due to their attractive luminescence and structural properties, supporting various promising applications as phosphor materials in the fields such as white light-emitting diodes, optical fibers, biolabel, lasers, and so on. The molybdate family has promising trivalent cation conducting properties and most of the optical properties result from electron transitions of the 4f shell, which are greatly affected by the composition and structures of rare-earth compounds. In this paper we report the molybdate CaMoO{sub 4}:Eu{sup 3+} for red SSL and Bi{sub 1.4}Y{sub 0.6}MoO{sub 6},more » Y{sub 6}MoO{sub 12} for optical filtering, prepared by one step combustion synthesis.« less

A multicore compound glass optical fiber for neutron imaging

NASA Astrophysics Data System (ADS)

Moore, Michael; Zhang, Xiaodong; Feng, Xian; Brambilla, Gilberto; Hayward, Jason

2017-04-01

Optical fibers have been successfully utilized for point sensors targeting physical quantities (stress, strain, rotation, acceleration), chemical compounds (humidity, oil, nitrates, alcohols, DNA) or radiation fields (X-rays, β particles, γ-rays). Similarly, bundles of fibers have been extremely successful in imaging visible wavelengths for medical endoscopy and industrial boroscopy. This work presents the progress in the fabrication and experimental evaluation of multicore fiber as neutron scattering instrumentation designed to detect and image neutrons with micron level spatial resolution.

Structural, vibrational, thermal and optical studies of organic single crystal: Benzotriazolium p-toluene sulfonate (BTPTS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, R. Ramesh; Sathya, P.; Gopalakrishnan, R., E-mail: krgkrishnan@yahoo.com

Benzotriazolium p-toluene sulfonate (BTPTS) was grown by solution growth technique. The powder X-ray diffraction analysis was carried out to evaluate crystal system of the compound. LeBail Profile fitting analysis was performed to extract the individual peak intensities. FTIR spectrum analysis was recorded to study vibration frequencies of the prepared organic salt. Thermal studies were carried out using TG-DSC analysis. Optical absorption and energy band gap of the title compound was evaluated by UV-Vis spectral study.

Thermal noise and optomechanical features in the emission of a membrane-coupled compound cavity laser diode.

PubMed

Baldacci, Lorenzo; Pitanti, Alessandro; Masini, Luca; Arcangeli, Andrea; Colangelo, Francesco; Navarro-Urrios, Daniel; Tredicucci, Alessandro

2016-08-19

We demonstrate the use of a compound optical cavity as linear displacement detector, by measuring the thermal motion of a silicon nitride suspended membrane acting as the external mirror of a near-infrared Littrow laser diode. Fluctuations in the laser optical power induced by the membrane vibrations are collected by a photodiode integrated within the laser, and then measured with a spectrum analyzer. The dynamics of the membrane driven by a piezoelectric actuator is investigated as a function of air pressure and actuator displacement in a homodyne configuration. The high Q-factor (~3.4 · 10(4) at 8.3 · 10(-3) mbar) of the fundamental mechanical mode at ~73 kHz guarantees a detection sensitivity high enough for direct measurement of thermal motion at room temperature (~87 pm RMS). The compound cavity system here introduced can be employed as a table-top, cost-effective linear displacement detector for cavity optomechanics. Furthermore, thanks to the strong optical nonlinearities of the laser compound cavity, these systems open new perspectives in the study of non-Markovian quantum properties at the mesoscale.

Thermal noise and optomechanical features in the emission of a membrane-coupled compound cavity laser diode

PubMed Central

Baldacci, Lorenzo; Pitanti, Alessandro; Masini, Luca; Arcangeli, Andrea; Colangelo, Francesco; Navarro-Urrios, Daniel; Tredicucci, Alessandro

2016-01-01

We demonstrate the use of a compound optical cavity as linear displacement detector, by measuring the thermal motion of a silicon nitride suspended membrane acting as the external mirror of a near-infrared Littrow laser diode. Fluctuations in the laser optical power induced by the membrane vibrations are collected by a photodiode integrated within the laser, and then measured with a spectrum analyzer. The dynamics of the membrane driven by a piezoelectric actuator is investigated as a function of air pressure and actuator displacement in a homodyne configuration. The high Q-factor (~3.4 · 104 at 8.3 · 10−3 mbar) of the fundamental mechanical mode at ~73 kHz guarantees a detection sensitivity high enough for direct measurement of thermal motion at room temperature (~87 pm RMS). The compound cavity system here introduced can be employed as a table-top, cost-effective linear displacement detector for cavity optomechanics. Furthermore, thanks to the strong optical nonlinearities of the laser compound cavity, these systems open new perspectives in the study of non-Markovian quantum properties at the mesoscale. PMID:27538586

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.

PubMed

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.

Towards non-invasive characterization of breast cancer and cancer metabolism with diffuse optics

PubMed Central

Busch, David R.; Choe, Regine; Durduran, Turgut; Yodh, Arjun G.

2013-01-01

We review recent developments in diffuse optical imaging and monitoring of breast cancer, i.e. optical mammography. Optical mammography permits non-invasive, safe and frequent measurement of tissue hemodynamics oxygen metabolism and components (lipids, water, etc.), the development of new compound indices indicative of the risk and malignancy, and holds potential for frequent non-invasive longitudinal monitoring of therapy progression. PMID:24244206

Synthesis and quantitative structure-activity relationship (QSAR) study of novel isoxazoline and oxime derivatives of podophyllotoxin as insecticidal agents.

PubMed

Wang, Yi; Shao, Yonghua; Wang, Yangyang; Fan, Lingling; Yu, Xiang; Zhi, Xiaoyan; Yang, Chun; Qu, Huan; Yao, Xiaojun; Xu, Hui

2012-08-29

In continuation of our program aimed at the discovery and development of natural-product-based insecticidal agents, 33 isoxazoline and oxime derivatives of podophyllotoxin modified in the C and D rings were synthesized and their structures were characterized by Proton nuclear magnetic resonance ((1)H NMR), high-resolution mass spectrometry (HRMS), electrospray ionization-mass spectrometry (ESI-MS), optical rotation, melting point (mp), and infrared (IR) spectroscopy. The stereochemical configurations of compounds 5e, 5f, and 9f were unambiguously determined by X-ray crystallography. Their insecticidal activity was evaluated against the pre-third-instar larvae of northern armyworm, Mythimna separata (Walker), in vivo. Compounds 5e, 9c, 11g, and 11h especially exhibited more promising insecticidal activity than toosendanin, a commercial botanical insecticide extracted from Melia azedarach . A genetic algorithm combined with multiple linear regression (GA-MLR) calculation is performed by the MOBY DIGS package. Five selected descriptors are as follows: one two-dimensional (2D) autocorrelation descriptor (GATS4e), one edge adjacency indice (EEig06x), one RDF descriptor (RDF080v), one three-dimensional (3D) MoRSE descriptor (Mor09v), and one atom-centered fragment (H-052) descriptor. Quantitative structure-activity relationship studies demonstrated that the insecticidal activity of these compounds was mainly influenced by many factors, such as electronic distribution, steric factors, etc. For this model, the standard deviation error in prediction (SDEP) is 0.0592, the correlation coefficient (R(2)) is 0.861, and the leave-one-out cross-validation correlation coefficient (Q(2)loo) is 0.797.

Optical Remote Sensing for Fence-Line Monitoring using Open-Path Quantum Cascade Laser (QCL) mono-static system for multiple target compounds in the Mid IR 7-13um (Fingerprint) region.

NASA Astrophysics Data System (ADS)

Zemek, P. G.

2017-12-01

Quantum Cascade Lasers (QCLs) are quickly replacing Tunable Diode Lasers (TDL) for multi-target species identification and quantification in both extractive and open-path (OP) Optical Remote Sensing (ORS) fence-line instrumentation. As was seen with TDL incorporation and pricing drops as the adoption by the telecommunications industry and its current scaling has improved robustness and pricing, the QCL is also, albiet more slowly, becoming a mature market. There are several advantages of QCLs over conventional TDLs such as improved brightness and beam density, high resolution, as well as the incorporation of external etalons or internal gratings to scan over wide spectral areas. QCLs typically operate in the Mid infra-red (MIR) as opposed to the Near-Infrared (NIR) region used with TDL. The MidIR is a target rich absorption band area where compounds have high absorbtivity coefficients resulting in better detection limits as compared to TDL instruments. The use of novel chemometrics and more sensitive non-cryo-cooled detectors has allowed some of the first QCL open-path instruments in both active and passive operation. Data and field studies of one of the newest QCL OP systems is presented that allows one system to measure multiple target compounds. Multiple QCL spectral regions may be stitched together to increase the capability of QCLs over TDL OP systems. A comparison of several ORS type systems will be presented.

Design of light concentrators for Cherenkov telescope observatories

NASA Astrophysics Data System (ADS)

Hénault, François; Petrucci, Pierre-Olivier; Jocou, Laurent; Khélifi, Bruno; Manigot, Pascal; Hormigos, Stéphane; Knödlseder, Jürgen; Olive, Jean-François; Jean, Pierre; Punch, Michael

2013-09-01

The Cherenkov Telescope Array (CTA) will be the largest cosmic gamma ray detector ever built in the world. It will be installed at two different sites in the North and South hemispheres and should be operational for about 30 years. In order to cover the desired energy range, the CTA is composed of typically 50-100 collecting telescopes of various sizes (from 6 to 24-m diameters). Most of them are equipped with a focal plane camera consisting of 1500 to 2000 Photomultipliers (PM) equipped with light concentrating optics, whose double function is to maximize the amount of Cherenkov light detected by the photo-sensors, and to block any stray light originating from the terrestrial environment. Two different optical solutions have been designed, respectively based on a Compound Parabolic Concentrator (CPC), and on a purely dioptric concentrating lens. In this communication are described the technical specifications, optical designs and performance of the different solutions envisioned for all these light concentrators. The current status of their prototyping activities is also given.

Retinal and optical adaptations for nocturnal vision in the halictid bee Megalopta genalis.

PubMed

Greiner, Birgit; Ribi, Willi A; Warrant, Eric J

2004-06-01

The apposition compound eye of a nocturnal bee, the halictid Megalopta genalis, is described for the first time. Compared to the compound eye of the worker honeybee Apis mellifera and the diurnal halictid bee Lasioglossum leucozonium, the eye of M. genalis shows specific retinal and optical adaptations for vision in dim light. The major anatomical adaptations within the eye of the nocturnal bee are (1) nearly twofold larger ommatidial facets and (2) a 4-5 times wider rhabdom diameter than found in the diurnal bees studied. Optically, the apposition eye of M. genalis is 27 times more sensitive to light than the eyes of the diurnal bees. This increased optical sensitivity represents a clear optical adaptation to low light intensities. Although this unique nocturnal apposition eye has a greatly improved ability to catch light, a 27-fold increase in sensitivity alone cannot account for nocturnal vision at light intensities that are 8 log units dimmer than during daytime. New evidence suggests that additional neuronal spatial summation within the first optic ganglion, the lamina, is involved.

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

NASA Astrophysics Data System (ADS)

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.

Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule.

PubMed

Rabanal-León, Walter A; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro

2014-12-21

The present work is focused on the elucidation of the electronic structure, bonding nature and optical properties of a series of low symmetry (C2) coordination compounds of type [Ln(III)HAM](3+), where "Ln(III)" are the trivalent lanthanide ions: La(3+), Ce(3+), Eu(3+) and Lu(3+), while "HAM" is the neutral six-nitrogen donor macrocyclic ligand [C22N6H26]. This systematic study has been performed in the framework of the Relativistic Density Functional Theory (R-DFT) and also using a multi-reference approach via the Complete Active Space (CAS) wavefunction treatment with the aim of analyzing their ground state and excited state electronic structures as well as electronic correlation. Furthermore, the use of the energy decomposition scheme proposed by Morokuma-Ziegler and the electron localization function (ELF) allows us to characterize the bonding between the lanthanide ions and the macrocyclic ligand, obtaining as a result a dative-covalent interaction. Due to a great deal of lanthanide optical properties and their technological applications, the absorption spectra of this set of coordination compounds were calculated using the time-dependent density functional theory (TD-DFT), where the presence of the intense Ligand to Metal Charge Transfer (LMCT) bands in the ultraviolet and visible region and the inherent f-f electronic transitions in the Near-Infra Red (NIR) region for some lanthanide ions allow us to propose these systems as "single antenna molecules" with potential applications in NIR technologies.

Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)2]·4H2O

NASA Astrophysics Data System (ADS)

Narsimhulu, M.; Hussain, K. A.

2018-06-01

The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)2]·4H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

A highly efficient silole-containing dithienylethene with excellent thermal stability and fatigue resistance: a promising candidate for optical memory storage materials.

PubMed

Chan, Jacky Chi-Hung; Lam, Wai Han; Yam, Vivian Wing-Wah

2014-12-10

Diarylethene compounds are potential candidates for applications in optical memory storage systems and photoswitchable molecular devices; however, they usually show low photocycloreversion quantum yields, which result in ineffective erasure processes. Here, we present the first highly efficient photochromic silole-containing dithienylethene with excellent thermal stability and fatigue resistance. The photochemical quantum yields for photocyclization and photocycloreversion of the compound are found to be high and comparable to each other; the latter of which is rarely found in diarylethene compounds. These would give rise to highly efficient photoswitchable material with effective writing and erasure processes. Incorporation of the silole moiety as a photochromic dithienylethene backbone also was demonstrated to enhance the thermal stability of the closed form, in which the thermal backward reaction to the open form was found to be negligible even at 100 °C, which leads to a promising candidate for use as photoswitchable materials and optical memory storage.

Optical sensing elements for nitrogen dioxide (NO.sub.2) gas detection, a sol-gel method for making the sensing elements and fiber optic sensors incorporating nitrogen dioxide gas optical sensing elements

DOEpatents

Mechery, Shelly John [Mississippi State, MS; Singh, Jagdish P [Starkville, MS

2007-07-03

A sensing element, a method of making a sensing element, and a fiber optic sensor incorporating the sensing element are described. The sensor can be used for the quantitative detection of NO.sub.2 in a mixture of gases. The sensing element can be made by incorporating a diazotizing reagent which reacts with nitrous ions to produce a diazo compound and a coupling reagent which couples with the diazo compound to produce an azo dye into a sol and allowing the sol to form an optically transparent gel. The sensing element changes color in the presence of NO.sub.2 gas. The temporal response of the absorption spectrum at various NO.sub.2 concentrations has also been recorded and analyzed. Sensors having different design configurations are described. The sensing element can detect NO.sub.2 gas at levels of parts per billion.

Pyrrole Derivatives and Diterpene Alkaloids from the South China Sea Sponge Agelas nakamurai.

PubMed

Chu, Mei-Jun; Tang, Xu-Li; Qin, Guo-Fei; Sun, Yan-Ting; Li, Lei; de Voogd, Nicole J; Li, Ping-Lin; Li, Guo-Qiang

2017-07-01

Two pairs of new non-brominated racematic pyrrole derivatives, (±)-nakamurine D (1) and (±)-nakamurine E (2), two new diterpene alkaloids, isoagelasine C (16) and isoagelasidine B (21), together with 13 known pyrrole derivatives ((±)-3 - 15), five known diterpene alkaloids (17 - 20, 22) were isolated from the South China Sea sponge Agelas nakamurai. The racemic mixtures, compounds 1 - 4, were resolved into four pairs of enantiomers, (+)-1 and (-)-1, (+)-2 and (-)-2, (+)-3 and (-)-3, and (+)-4 and (-)-4, by chiral HPLC. The structures and absolute configurations were elucidated on the basis of comprehensive spectroscopic analyses, quantum chemical calculations, quantitative measurements of molar rotations, application of van't Hoff's principle of optical superposition, and comparison with the literature data. The NMR and MS data of compound 3 are reported for the first time, as the structure was listed in SciFinder Scholar with no associated reference. These non-brominated pyrrole derivatives were found in this species for the first time. Compound 18 showed valuable cytotoxicities against HL-60, K562, and HCT-116 cell lines with IC 50 values of 12.4, 16.0, and 19.8 μm, respectively. Compounds 16 - 19, 21, and 22 showed potent antifungal activities against Candida albicans with MIC values ranging from 0.59 to 4.69 μg/ml. Compounds 16 - 19 exhibited moderate antibacterial activities against Proteusbacillus vulgaris (MIC values ranging from 9.38 to 18.75 μg/ml). © 2017 Wiley-VHCA AG, Zurich, Switzerland.

Engineering of a novel carbonyl reductase with coenzyme regeneration in E. coli for efficient biosynthesis of enantiopure chiral alcohols.

PubMed

Wei, Ping; Gao, Jia-Xin; Zheng, Gao-Wei; Wu, Hong; Zong, Min-Hua; Lou, Wen-Yong

2016-07-20

The novel anti-Prelog stereospecific carbonyl reductase from Acetobacter sp. CCTCC M209061 was successfully expressed in E. coli combined with glucose dehydrogenase (GDH) to construct an efficient whole-cell biocatalyst with coenzyme NADH regeneration. The enzymatic activity of GAcCR (AcCR with a GST tag) reached 304.9U/g-dcw, even 9 folds higher than that of wild strain, and the activity of GDH for NADH regeneration recorded 46.0U/mg-protein in the recombinant E. coli. As a whole-cell biocatalyst, the recombinant E. coli BL21(DE3)pLysS (pETDuet-gaccr-gdh) possessed a broad substrate spectrum for kinds of carbonyl compounds with encouraging yield and stereoselectivity. Besides, the asymmetric reduction of ethyl 4-chloroacetoacetate (COBE) to optically pure ethyl 4-chloro-3-hydroxybutyrate (CHBE) catalyzed by the whole-cell biocatalyst was systematically investigated. Under the optimal reaction conditions, the optical purity of CHBE was over 99% e.e. for (S)-enantiomer, and the initial rate and product yield reached 8.04μmol/min and 99.4%, respectively. Moreover, the space-time yield was almost 20 folds higher than that catalyzed by the wild strain. Therefore, a new, high efficiency biocatalyst for asymmetric reductions was constructed successfully, and the enantioselective reduction of prochiral compounds using the biocatalyst was a promising approach for obtaining enantiopure chiral alcohols. Copyright © 2016 Elsevier B.V. All rights reserved.

Study of linear optical parameters of sodium sulphide nano-particles added ADP crystals

NASA Astrophysics Data System (ADS)

Kochuparampil, A. P.; Joshi, J. H.; Dixit, K. P.; Jethva, H. O.; Joshi, M. J.

2017-05-01

Ammonium Dihydrogen Phosphate (ADP) is one of the nonlinear optical crystals. It is having various applications like optical mixing, electro-optical modulator, harmonic generators, etc. Chalcogenide compounds are poorly soluble in water and difficult to add in the water soluble ADP crystals. The solubility of Chalcogenide compounds can be increased by synthesizing the nano-structured samples with suitable capping agent. In the present study sodium sulphide was added in to ADP to modify its linear optical parameters. Sodium sulphide nano particles were synthesized by co-precipitation technique using Ethylene diamine as capping agent followed by microwave irradiation. The powder XRD confirmed the nano-structured nature of sodium sulphide nano particles. The solubility of nanoparticles of sodium sulphide increased significantly in water compared to the bulk. Pure and Na2S added ADP crystals were grown by slow solvent evaporation method at room temperature. The presence of sodium in ADP was confirmed by AAS. The UV-Vis spectra were recorded for all crystals. Various optical parameters like, transmittance, energy band gap, extinction coefficient, refractive index, optical conductivity, etc. were evaluated. The electronic polarizibility of pure and doped crystals calculated from energy band gap. The effect of doping concentration was found on various parameters.

COMPLEX RUTHENIUM ACIDO-NITROS COMPOUNDS (in Russian)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zvyagintsev, O.E.; Starostin, S.M.

1961-06-01

The chemical nature of the water in the complex ruthenium acidonitroso compounds is studied by measuring certain acid properties, reactions, and behaviors of the compounds in aqueous solution. The dependence of molecular electrical conductivity on time and dilution, variations of specific electroconductivity, the optical density, and the light absorption of the compounds at 200 to 800 m mu wave range were investigated and the dissociation constants were calculated. (R.V.J.)

Effects of grinding and humidification on the transformation of conglomerate to racemic compound in optically active drugs.

PubMed

Piyarom, S; Yonemochi, E; Oguchi, T; Yamamoto, K

1997-04-01

The effects of grinding and humidification on the transformation of conglomerate to racemic compound have been investigated by X-ray powder diffraction (XPD), differential scanning calorimetry (DSC) and infrared (IR) spectroscopy for leucine, norleucine, valine, serine, tartaric acid and malic acid. Racemic physical mixtures were prepared by physical mixing of equimolar quantities of D and I. crystals using a mortar and pestle. Ground mixtures were obtained by grinding the physical mixtures with a vibrational mill. Humidification was performed by storing the physical mixtures and the ground mixtures in a desiccator containing saturated aqueous salt solutions at 40 degrees C. When physical mixtures of malic acid, tartaric acid and serine were ground, the XPD peaks of the racemic compounds were observed. The XPD patterns of humidified physical mixtures of these compounds also showed the formation of the racemic compounds. This indicated that grinding or humidification of malic acid, tartaric acid and serine induced the transformation of conglomerate to racemic compound crystals. When, on the other hand, the physical mixtures of valine, leucine and norleucine were ground, peaks of racemic compounds were not detected in the XPD pattern. After humidification of the ground mixtures of valine, leucine and norleucine, however, the XPD peaks of racemic compounds were observed. DSC and IR studies revealed consistent results. We concluded that grinding or humidification of malic acid, tartaric acid and serine could induce the transformation of a conglomerate to racemic compound. In contrast, humidifying after grinding was needed to bring about the transformation in leucine, norleucine and valine.

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study.

PubMed

Irfan, Ahmad; Chaudhry, Aijaz Rasool; Muhammad, Shabbir; Al-Sehemi, Abdullah G

2017-08-01

Owing to their excellent electrochemical properties, graphenes found applications in several fields ranging from semiconductors, solar cells, field effect transistors, and nanoscale electronic devices as well as in nonlinear optical (NLO) applications. The structural features, electro-optical, charge transport and nonlinear optical properties of the boron-doped graphene (BG) compound 1 were studied using density functional theory methods The BG compound comprises a central electron deficient site of boron atoms, which can serve as electron acceptor while terminal alkoxy groups as donors leading to powerful donor-π-acceptor (D-π-A) configuration. The experimental crystal structure was successfully reproduced by optimized ground state geometry at PBE0/6-311G* level of theory for isolated molecule. The experimental lattice parameters, geometries, crystal presentation and alignment of molecules in the unit cells as well as their packing orientation of BG compound 1 was also efficiently reproduced by applying periodic boundary conditions (PBC) at PBE level. The comprehensive intramolecular charge transfer (CT) was realized from terminal rings of the HOMO to the electron deficient sites of boron atoms of the LUMO. The nature of BG compound 1 might be more towards hole transport even though its hole reorganization energy is twice than that of the electron one due to the significant higher hole transfer integral values. The superior hole transfer integrals and intrinsic mobility values of the BG compound 1 might lead remarkable hole transport contender as compared to many other organic materials. The narrow band gap, density of states profile, dielectric function, uniform conductivity functions and noteworthy electronic as well as CT properties revealed that the BG compound 1 might be proficient optoelectronic contestant having intermolecular CT as well as intramolecular CT with optimal stability. A comparison of static third-order polarizability <γ> of BG compound 1, as calculated in present investigation, was also performed with some standard NLO molecules as well as graphene nanoflakes. Moreover, longitudinal component γ zzzz of parent compound has been found 12 and 4 times larger than those of previously reported open-shell poly aromatic hydrocarbons (PAH). Interestingly, by increasing the donor ability, i.e., introduction of C 2 H 2 PhNH 2 groups in place of OC 4 H 9 groups (BG compound 3) at terminal positions boosts the <γ> amplitude∼8 times than that of its parent BG compound 1. Copyright © 2017 Elsevier Inc. All rights reserved.

Ultrafast third-order nonlinear optical response of pyrene derivatives

NASA Astrophysics Data System (ADS)

Shi, Yufang; Li, Zhongguo; Fang, Yu; Sun, Jinyu; Zhao, Minggen; Song, Yinglin

2017-05-01

Two mono-substituted pyrene derivatives with delocalized electron system 1-(pyren-1-yl)-3-(4-Methyl thiophene-2-yl) acrylic ketone (13#) and 1-(pyren-1-yl)-3-(4-bromo thiophene-2-yl) acrylic ketone (15#) were successfully synthesized. The resultant compounds were characterized by nuclear magnetic resonance (NMR), infrared spectroscopy (IR), high resolution mass spectrum (HR-MS), and UV-vis spectra. The third-order nonlinear optical properties of the compounds were investigated using Z-scan technique with femtosecond laser pulses at 500 nm and 700 nm, respectively. Both of the compounds showed a decrease in transmittance about the focus, which are typical of two-photon absorption. It was found that the two-photon absorption behavior of the pyrene derivatives were modified by substituents on thiophene ring. These results indicate that both compounds can be promising candidates for future optoelectronic and bio-imaging applications.

Structure determination and characterization of two rare-earth molybdenum borate compounds: LnMoBO(6) (Ln = La, Ce).

PubMed

Zhao, Dan; Cheng, Wen-Dan; Zhang, Hao; Hang, Shu-Ping; Fang, Ming

2008-07-28

The structural, optical, and electronic properties of two rare-earth molybdenum borate compounds, LnMoBO(6) (Ln = La, Ce), have been investigated by means of single-crystal X-ray diffraction, elemental analyses, and spectral measurements, as well as calculations of energy band structures, density of states, and optical response functions by the density functional method. The title compounds, which crystallize in monoclinic space group P2(1)/c, possess a similar network of interconnected [Ce(2)(MoO(4))(2)](2+) chains and [BO(2)](-) wavy chains. Novel 1D molybdenum oxide chains are contained in their three-dimensional (3D) networks. The calculated results of crystal energy band structure by the density functional theory (DFT) method show that the solid-state compound LaMoBO(6) is a semiconductor with indirect band gaps.

Synthesis, optical properties and application of a set of novel pyrazole nopinone derivatives.

PubMed

Yang, Jinlai; Xu, Xu; Rui, Jian; Wang, Zhonglong; Zhang, Yan; Wang, Shifa; Wu, Liangru

2017-08-05

Pyrazole derivatives (4-6) were directly synthesized from β-pinene derivative nopinone, and they were characterized by Fourier transform infrared (FTIR) spectoscope, nuclear magnetic resonance (NMR), and mass spectrometry. Their optical properties were investigated by ultraviolet-visible spectroscopy and fluorescence spectroscopy. The three compounds emitted strong blue fluorescence in ethanol. Using a fluorescence quenching method, compound 4 could be used to detect the content (100.57%) of copper sulfate pentahydrate (≥99%) with a RSD of 1.98%, y=-0.1127×+2.7148, R 2 =0.9703 (Cu 2+ : 0.5-8.0×10 -5 mol/L), and compounds 4-6 also had utility of calculating the content of anhydrous ferric chloride at a wide range of concentration. Thus, compounds 4-6 are new functional fluorescents for detecting the content of some purchased products. Copyright © 2017 Elsevier B.V. All rights reserved.

Plastic scintillators with high loading of one or more metal carboxylates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cherepy, Nerine; Sanner, Robert Dean

In one embodiment, a material includes at least one metal compound incorporated into a polymeric matrix, where the metal compound includes a metal and one or more carboxylate ligands, where at least one of the one or more carboxylate ligands includes a tertiary butyl group, and where the material is optically transparent. In another embodiment, a method includes: processing pulse traces corresponding to light pulses from a scintillator material; and outputting a result of the processing, where the scintillator material comprises at least one metal compound incorporated into a polymeric matrix, the at least one metal compound including a metalmore » and one or more carboxylate ligands, where at least one of the one or more carboxylate ligands has a tertiary butyl group, and where the scintillator material is optically transparent and has an energy resolution at 662 keV of less than about 20%.« less

In vivo imaging of zebrafish digestive organ function using multiple quenched fluorescent reporters.

PubMed

Hama, Kotaro; Provost, Elayne; Baranowski, Timothy C; Rubinstein, Amy L; Anderson, Jennifer L; Leach, Steven D; Farber, Steven A

2009-02-01

Optical clarity of larvae makes the zebrafish ideal for real-time analyses of vertebrate organ function through the use of fluorescent reporters of enzymatic activities. A key function of digestive organs is to couple the generation of enzymes with mechanical processes that enable nutrient availability and absorption. However, it has been extremely difficult, and in many cases not possible, to directly observe digestive processes in a live vertebrate. Here we describe a new method to visualize intestinal protein and lipid processing simultaneously in live zebrafish larvae using a quenched fluorescent protein (EnzChek) and phospholipid (PED6). By employing these reagents, we found that wild-type larvae exhibit significant variation in intestinal phospholipase and protease activities within a group but display a strong correlation between the activities within individuals. Furthermore, we found that pancreas function is essential for larval digestive protease activity but not for larval intestinal phospholipase activity. Although fat-free (ffr) mutant larvae were previously described to exhibit impaired lipid processes, we found they also had significantly reduced protease activity. Finally, we selected and evaluated compounds that were previously suggested to have altered phospholipase activity and are known or suspected to have inflammatory effects in the intestinal tract including nonsteroidal anti-inflammatory drugs, and identified a compound that significantly increases intestinal phospholipid processing. Thus the multiple fluorescent reporter-based methodology facilitates the rapid analysis of digestive organ function in live zebrafish larvae.

Compounds for neutron radiation detectors and systems thereof

DOEpatents

Payne, Stephen A.; Stoeffl, Wolfgang; Zaitseva, Natalia P.; Cherepy, Nerine J.; Carman, Leslie M.

2016-08-30

A composition of matter includes an organic molecule having a composition different than stilbene. The organic molecule is embodied as a crystal, and exhibits: an optical response signature for neutrons; an optical response signature for gamma rays, and performance comparable to or superior to stilbene in terms of distinguishing neutrons from gamma rays. The optical response signature for neutrons is different than the optical response signature for gamma rays.

Role of modified Becke-Johnson potential in computation of electronic and optical properties of mixed crystals CdxZn1-xSe

NASA Astrophysics Data System (ADS)

Talreja, Sonal; Ahuja, B. L.

2015-08-01

Electronic and optical properties of CdxZn1-xSe (x = 0, 0.25, 0.5, 0.75, 1) compounds are investigated using the first-principles full potential linearized augmented plane wave method. In particular, we have used modified version of the exchange potential of Becke and Johnson, so called mBJ potential. We have discussed the energy bands, density of states, and optical properties such as dielectric constants, refractive indices, reflection spectra, extinction coefficients of all the CdxZn1-xSe compounds. Our mBJ potential based data are found to be in excellent agreement with the available experimental data, which unambiguously validates the applicability of orbital independent exchange-correlation potential in mixed semiconductor crystals. The optical properties are discussed in terms of applicability of Cd-Zn-Se system in light-emitting diodes, UV detectors and filters, etc.

Volatile Organic Compound Optical Fiber Sensors: A Review

PubMed Central

Elosua, Cesar; Matias, Ignacio R.; Bariain, Candido; Arregui, Francisco J.

2006-01-01

Volatile organic compound (VOC) detection is a topic of growing interest with applications in diverse fields, ranging from environmental uses to the food or chemical industries. Optical fiber VOC sensors offering new and interesting properties which overcame some of the inconveniences found on traditional gas sensors appeared over two decades ago. Thanks to its minimum invasive nature and the advantages that optical fiber offers such as light weight, passive nature, low attenuation and the possibility of multiplexing, among others, these sensors are a real alternative to electronic ones in electrically noisy environments where electronic sensors cannot operate correctly. In the present work, a classification of these devices has been made according to the sensing mechanism and taking also into account the sensing materials or the different methods of fabrication. In addition, some solutions already implemented for the detection of VOCs using optical fiber sensors will be described with detail.

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

PubMed Central

González-Sierra, Nancy Elizabeth; Gómez-Pavón, Luz del Carmen; Pérez-Sánchez, Gerardo Francisco; Luis-Ramos, Arnulfo; Zaca-Morán, Plácido; Chávez-Ramírez, Fernando

2017-01-01

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. PMID:28878161

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

PubMed

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.

Spectroscopic investigations and molecular docking study of 3-(1H-imidazol-1-yl)-1-phenylpropan-1-one, a potential precursor to bioactive agents

NASA Astrophysics Data System (ADS)

Al-Alshaikh, Monirah A.; Mary Y, Sheena; Panicker, C. Yohannan; Attia, Mohamed I.; El-Emam, Ali A.; Alsenoy, C. Van

2016-04-01

The optimized molecular structure, vibrational wavenumbers, corresponding vibrational assignments of 3-(1H-imidazol-1-yl)-1-phenylpropan-1-one have been investigated theoretically and experimentally. The calculated geometrical parameters of the title compound are in agreement with the reported XRD data. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. Molecular electrostatic potential was performed by the DFT method and from the MEP plot, it is evident that the negative charge covers the carbonyl group and the nitrogen atom N3 of the imidazole ring and the positive region is over the remaining portions of the molecule. The first and second hyperpolarizabilities are calculated and the first hyperpolarizability of the title compound is 16.99 times that of standard NLO material urea and the title compound and its derivatives are good object for further studies in nonlinear optics. The docked ligand title compound forms a stable complex with plasmodium falciparum and gives a binding affinity value of -5.5 kcal/mol and the preliminary results suggest that the compound might exhibit antimalarial activity against plasmodium falciparum.

Numerical Optimization Using Desktop Computers

DTIC Science & Technology

1980-09-11

concentrating compound parabolic trough solar collector . Thermophysical, geophysical, optical and economic analyses were used to compute a life-cycle...third computer program, NISCO, was developed to model a nonimaging concentrating compound parabolic trough solar collector using thermophysical...concentrating compound parabolic trough Solar Collector . C. OBJECTIVE The objective of this thesis was to develop a system of interactive programs for the Hewlett

76 FR 72722 - Certain Projectors With Controlled-Angle Optical Retarders, Components Thereof, and Products...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-25

... the Tariff Act of 1930, as amended, 19 U.S.C. 1337, on behalf of Compound Photonics Ltd. of the United Kingdom and Compound Photonics U.S. Corporation of Phoenix, Arizona. A supplement to the Complaint was... upon which this notice of investigation shall be served: (a) The complainants are: Compound Photonics...

Numerical study of the defect adamantine compound CuGaGeSe4

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Zhang, Xianzhou; Lu, Hai; Jiao, Zhaoyong

2018-06-01

The electronic structure, elastic and optical properties of the defect adamantine compound CuGaGeSe4 in ? structure are systematically investigated using first-principles calculations. Through detailed calculation and comparison, we obtain three independent atomic arrangements and predict the most stable atomic arrangement according to the lattice constants and enthalpy formation energies. The elastic constants are calculated, which can be used to predict the axial thermal expansion coefficients accurately. The optical properties of compound CuGaGeSe4, including the dielectric function, refractive index and absorption spectrum, are depicted for a more intuitive understanding. Our calculated zero-frequency limits ɛ1(0) and n(0) are very close to the other theoretical values, which proves that our calculations are reliable.

Relationship between tribology and optics in thin films of mechanically oriented nanocrystals.

PubMed

Wong, Liana; Hu, Chunhua; Paradise, Ruthanne; Zhu, Zina; Shtukenberg, Alexander; Kahr, Bart

2012-07-25

Many crystalline dyes, when rubbed unidirectionally with cotton on glass slides, can be organized as thin films of highly aligned nanocrystals. Commonly, the linear birefringence and linear dichroism of these films resemble the optical properties of single crystals, indicating precisely oriented particles. Of 186 colored compounds, 122 showed sharp extinction and 50 were distinctly linearly dichroic. Of the latter 50 compounds, 88% were more optically dense when linearly polarized light was aligned with the rubbing axis. The mechanical properties of crystals that underlie the nonstatistical correlation between tribological processes and the direction of electron oscillations in absorption bands are discussed. The features that give rise to the orientation of dye crystallites naturally extend to colorless molecular crystals.

Methods of making composite optical devices employing polymer liquid crystal

DOEpatents

Jacobs, Stephen D.; Marshall, Kenneth L.; Cerqua, Kathleen A.

1991-01-01

Composite optical devices using polymer liquid crystal materials both as optical and adhesive elements. The devices are made by assembling a heated polymer liquid crystal compound, while in a low viscosity form between optically transparent substrates. The molecules of the polymer are oriented, while in the liquid crystalline state and while above the glass transition temperature (T.sub.g) of the polymer, to provide the desired optical effects, such as polarization, and selective reflection. The liquid crystal polymer cements the substrates together to form an assembly providing the composite optical device.

Effects of doping of calcium atom(s) on structural, electronic and optical properties of binary strontium chalcogenides - A theoretical investigation using DFT based FP-LAPW methodology

NASA Astrophysics Data System (ADS)

Bhattacharjee, Rahul; Chattopadhyaya, Surya

2017-09-01

The effects of doping of Ca atom(s) on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds have been investigated theoretically using DFT based FP-LAPW approach by modeling the rock-salt (B1) ternary alloys CaxSr1-xS, CaxSr1-xSe and CaxSr1-xTe at some specific concentrations 0 ≤ x ≤ 1 and studying their aforesaid properties. The exchange-correlation potentials for their structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme. In addition, we have computed the electronic and optical properties with the traditional BLYP and PBE-GGA schemes for comparison. The atomic and orbital origin of different electronic states in the band structure of each of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

Self-Cleaning Coatings and Materials for Decontaminating Field-Deployable Land and Water-Based Optical Systems

NASA Technical Reports Server (NTRS)

Ryan, Robert; Underwood, Lauren; Holekamp, Kara; May, George; Spiering, Bruce; Davis, Bruce

2011-01-01

This technology exploits the organic decomposition capability and hydrophilic properties of the photocatalytic material titanium dioxide (TiO2), a nontoxic and non-hazardous substance, to address contamination and biofouling issues in field-deployed optical sensor systems. Specifically, this technology incorporates TiO2 coatings and materials applied to, or integrated as a part of, the optical surfaces of sensors and calibration sources, including lenses, windows, and mirrors that are used in remote, unattended, ground-based (land or maritime) optical sensor systems. Current methods used to address contamination or biofouling of these optical surfaces in deployed systems are costly, toxic, labor intensive, and non-preventative. By implementing this novel technology, many of these negative aspects can be reduced. The functionality of this innovative self-cleaning solution to address the problem of contamination or biofouling depends on the availability of a sufficient light source with the appropriate spectral properties, which can be attained naturally via sunlight or supplemented using artificial illumination such as UV LEDs (light emitting diodes). In land-based or above-water systems, the TiO2 optical surface is exposed to sunlight, which catalyzes the photocatalytic reaction, facilitating both the decomposition of inorganic and organic compounds, and the activation of superhydrophilic properties. Since underwater optical surfaces are submerged and have limited sunlight exposure, supplementary UV light sources would be required to activate the TiO2 on these optical surfaces. Nighttime operation of land-based or above-water systems would require this addition as well. For most superhydrophilic self-cleaning purposes, a rainwater wash will suffice; however, for some applications an attached rainwater collector/ dispenser or other fresh water dispensing system may be required to wash the optical surface and initiate the removal of contaminates. Deployment of this non-toxic,non-hazardous-technology will take advantage of environmental elements (i.e. rain and sunlight), increase the longevity of unattended optical systems, increase the amount of time between required maintenance, and improve the long-term accuracy of sensor measurements.

Vaccinols J-S, ten new salicyloid derivatives from the marine mangrove-derived endophytic fungus Pestalotiopsis vaccinii.

PubMed

Wang, Jun-Feng; Liang, Rui; Liao, Sheng-Rong; Yang, Bin; Tu, Zheng-Chao; Lin, Xiu-Ping; Wang, Bin-Gui; Liu, Yonghong

2017-07-01

Ten new salicyloid derivatives, namely vaccinols J-S (1-10), along with five known compounds (11-15) were isolated from Pestalotiopsis vaccinii (cgmcc3.9199) endogenous with the mangrove plant Kandelia candel (L.) Druce (Rhizophoraceae). Their structures including absolute configurations were established on the basis of spectroscopic analysis, optical rotation, CD spectra, quantum ECD calculations. To the best of our knowledge, vaccinol J (1) is the first example of salicyloid derivatives containing 2-methylfuran moiety. All of the new compounds were tested for their anti-enterovirus 7l (EV71) and cytotoxic activities. Among them, vaccinol J (1) exhibited in vitro anti-EV71 with IC 50 value of 30.7μM (IC 50 177.0μM for the positive control ribavirin). Copyright © 2017. Published by Elsevier B.V.

Enantiomeric Lignans and Neolignans from Phyllanthus glaucus: Enantioseparation and Their Absolute Configurations

NASA Astrophysics Data System (ADS)

Wu, Zhaodi; Lai, Yongji; Zhou, Lei; Wu, Ye; Zhu, Hucheng; Hu, Zhengxi; Yang, Jing; Zhang, Jinwen; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui

2016-04-01

Eight pairs of enantiomeric neolignans, norlignans, and sesquineolignans (1a/1b-8a/8b), together with five known neolignans (9a/9b and 10-12), have been isolated from 70% acetone extract of the whole plants of Phyllanthus glaucus Wall. (Euphorbiaceae). The racemic or partial racemic mixtures were successfully separated by chiral HPLC using different types of chiral columns with various mobile phases. Their structures were elucidated on the basis of extensive spectroscopic data. The absolute configurations of 2a/2b were determined by computational analysis of their electronic circular dichroism (ECD) spectrum, and the absolute configurations of other isolates were ascertained by comparing their experimental ECD spectra and optical rotation values with those of structure-relevant compounds reported in literatures. Compounds 4a/4b featured unique sesquineolignan skeletons with a novel 7-4‧-epoxy-8‧-8‧‧/7‧-2‧‧ scaffold, consisting of an aryltetrahydronaphthalene and a dihydrobenzofuran moiety. The planar structures of compounds 2, 3, 7, and 8 were documented previously; however, their absolute configurations were established for the first time in this study. The antioxidant activities of 1a/1b-8a/8b were evaluated using DPPH free radical scavenging assay, and the results demonstrated that compounds 1b and 3b showed potent DPPH radical scavenging activities with IC50 values of 5.987 ± 1.212 and 9.641 ± 0.865 μg/mL, respectively.

Laser Interferometry Method as a Novel Tool in Endotoxins Research.

PubMed

Arabski, Michał; Wąsik, Sławomir

2017-01-01

Optical properties of chemical substances are widely used at present for assays thereof in a variety of scientific disciplines. One of the measurement techniques applied in physical sciences, with a potential for novel applications in biology, is laser interferometry. This method enables to record the diffusion properties of chemical substances. Here we describe the novel application of laser interferometry in chitosan interactions with lipopolysaccharide by detection of colistin diffusion. The proposed model could be used in simple measurements of polymer interactions with endotoxins and/or biological active compounds, like antibiotics.

IV-VI compound midinfrared high-reflectivity mirrors and vertical-cavity surface-emitting lasers grown by molecular-beam epitaxy

NASA Astrophysics Data System (ADS)

Shi, Z.; Xu, G.; McCann, P. J.; Fang, X. M.; Dai, N.; Felix, C. L.; Bewley, W. W.; Vurgaftman, I.; Meyer, J. R.

2000-06-01

Midinfrared broadband high-reflectivity Pb1-xSrxSe/BaF2 distributed Bragg reflectors and vertical-cavity surface-emitting lasers (VCSELs) with PbSe as the active material were grown by molecular-beam epitaxy. Because of an extremely high index contrast, mirrors with only three quarter-wave layer pairs had reflectivities exceeding 99%. For pulsed optical pumping, a lead salt VCSEL emitting at the cavity wavelength of 4.5-4.6 μm operated nearly to room temperature (289 K).

Electromagnon Resonance at Room Temperature with Gigantic Magnetochromism

NASA Astrophysics Data System (ADS)

Shishikura, H.; Tokunaga, Y.; Takahashi, Y.; Masuda, R.; Taguchi, Y.; Kaneko, Y.; Tokura, Y.

2018-04-01

The elementary excitation characteristic of magnetoelectric (ME) multiferroics is a magnon endowed with electric activity, which is referred to as an electromagnon. The electromagnon resonance mediated by the bilinear exchange coupling potentially exhibits strong terahertz light-matter interaction with optical properties different from the conventional magnon excitation. Here we report the robust electromagnon resonance on helimagnetic Y -type hexaferrites in a wide temperature range including room temperature. Furthermore, the efficient magnetic field controls of the electromagnon are demonstrated on the flexible spin structure of these compounds, leading to the generation or annihilation of the resonance as well as the large resonance energy shift. These terahertz characteristics of the electromagnon exemplify the versatile magneto-optical functionality driven by the ME coupling in multiferroics, paving a way for possible terahertz applications as well as terahertz control of a magnetic state of matter.

Unfolding the band structure of disordered solids: From bound states to high-mobility Kane fermions

NASA Astrophysics Data System (ADS)

Rubel, O.; Bokhanchuk, A.; Ahmed, S. J.; Assmann, E.

2014-09-01

Supercells are often used in ab initio calculations to model compound alloys, surfaces, and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates perturbed by disorder. Here we apply the spectral weight approach to unfolding the electronic structure of group III-V and II-VI semiconductor solid solutions. The illustrative examples include formation of donorlike states in dilute Ga(PN) and associated enhancement of its optical activity, direct observation of the valence band anticrossing in dilute GaAs:Bi, and a topological band crossover in ternary (HgCd)Te alloy accompanied by emergence of high-mobility Kane fermions. The analysis facilitates interpretation of optical and transport characteristics of alloys that are otherwise ambiguous in traditional first-principles supercell calculations.

Phonon-mediated spin-flipping mechanism in the spin ices Dy 2 Ti 2 O 7 and Ho 2 Ti 2 O 7

DOE PAGES

Ruminy, M.; Chi, S.; Calder, S.; ...

2017-02-21

To understand emergent magnetic monopole dynamics in the spin ices Ho 2Ti 2O 7 and Dy 2Ti 2O 7, it is necessary to investigate the mechanisms by which spins flip in these materials. Presently there are thought to be two processes: quantum tunneling at low and intermediate temperatures and thermally activated at high temperatures. We identify possible couplings between crystal field and optical phonon excitations and construct a strictly constrained model of phonon-mediated spin flipping that quantitatively describes the high-temperature processes in both compounds, as measured by quasielastic neutron scattering. We support the model with direct experimental evidence of themore » coupling between crystal field states and optical phonons in Ho 2Ti 2O 7.« less

Optical and electrical properties of bismuth-sulfide (Bi2S3) thin films prepared by thermal evaporation.

NASA Astrophysics Data System (ADS)

Mahmoud, Siham; Sharaf, Fouad

Thin films of Bi2S3, of thickness in the range 300 to 500 nm, were produced by thermal evaporation technique. The reaction consisted in depositing the two elements (bismuth and sulfur) from a boat source and allowing their atoms to interdiffuse to form the compound during the deposition on quartz substrates. The material has been characterized by X-ray studies, optical and electrical measurements. When these films were annealed at 353 K, 393 K and 453 K for 5 hours, a nearly amorphous to polycrystalline transition was observed. The absorption coefficient revealed the existence of an allowed direct transition with Eg = 1.56 eV. The activation energies for electrical conduction in low and high temperature regions are 0.28 eV and 0.73 eV, respectively.

Optical control of insulin release using a photoswitchable sulfonylurea.

PubMed

Broichhagen, Johannes; Schönberger, Matthias; Cork, Simon C; Frank, James A; Marchetti, Piero; Bugliani, Marco; Shapiro, A M James; Trapp, Stefan; Rutter, Guy A; Hodson, David J; Trauner, Dirk

2014-10-14

Sulfonylureas are widely prescribed for the treatment of type 2 diabetes mellitus (T2DM). Through their actions on ATP-sensitive potassium (KATP) channels, sulfonylureas boost insulin release from the pancreatic beta cell mass to restore glucose homeostasis. A limitation of these compounds is the elevated risk of developing hypoglycemia and cardiovascular disease, both potentially fatal complications. Here, we describe the design and development of a photoswitchable sulfonylurea, JB253, which reversibly and repeatedly blocks KATP channel activity following exposure to violet-blue light. Using in situ imaging and hormone assays, we further show that JB253 bestows light sensitivity upon rodent and human pancreatic beta cell function. Thus, JB253 enables the optical control of insulin release and may offer a valuable research tool for the interrogation of KATP channel function in health and T2DM.

Solitonic guides in photopolymerizable materials for optical devices

NASA Astrophysics Data System (ADS)

Dorkenoo, Kokou D.; Cregut, Olivier; Fort, Alain

2003-11-01

These last twenty years, advanced studies in integrated optics have demonstrated the capacity to elaborate optical circuits in planar substrates. Most of the optical integrated devices are realized on glass substrate and the guide areas are usually obtained by photolithography techniques. We present here a new approach based on the use of compounds photopolymerizable in the visible range. The conditions of self written channel creation by solitonic propagation inside the bulk of the photopolymerizable formulation are analyzed. Waveguides can be self-written in photopolymerizable materials1,2 due to the dependence of their refractive index on intensity and duration of the active light. This process results from the competition between the diffraction of the incident Gaussian beam and the photopolymerization which tends to increase the refractive index where light intensity is the highest. By controlling the difference between the refractive index values of the polymerized and non polymerized zones, the beam can be self-trapped along the propagation axis giving rise to a waveguide over distances as large as 10 cm without any broadening. Such permanent waveguides can be structured by inscription of gratings and doped with a dye in a plastic cell leading to the elaboration of a completely plastic laser.

Growth and spectroscopic, thermodynamic and nonlinear optical studies of L-threonine phthalate crystal

NASA Astrophysics Data System (ADS)

Theras, J. Elberin Mary; Kalaivani, D.; Jayaraman, D.; Joseph, V.

2015-10-01

L-threonine phthalate (LTP) single crystal has been grown using a solution growth technique at room temperature. Single crystal X-ray diffraction analysis reveals that LTP crystallizes in monoclinic crystal system with space group C2/c. The optical absorption studies show that the crystal is transparent in the entire visible region with a cut-off wavelength 309 nm. The optical band gap is found to be 4.05 eV. The functional groups of the synthesized compound have been identified by FTIR spectral analysis. The functional groups present in the material were also confirmed by FT-RAMAN spectroscopy. Surface morphology and the presence of various elements were studied by SEM-EDAX analysis. The thermal stability of LTP single crystal has been analyzed by TGA/DTA studies. The thermodynamic parameters such as activation energy, entropy, enthalpy and Gibbs free energy were determined for the grown material using TG data and Coats-Redfern relation. Since the grown crystal is centrosymmetric, Z-Scan studies were carried out for analyzing the third order nonlinear optical property. The nonlinear absorption coefficient, nonlinear refractive index and susceptibility have been measured using Z-Scan technique.

COMPACT, CONTINUOUS MONITORING FOR VOLATILE ORGANIC COMPOUNDS - PHASE I

EPA Science Inventory

Improved methods for onsite measurement of multiple volatile organic compounds are needed for process control, monitoring, and remediation. This Phase I SBIR project sets forth an optical measurement method that meets these needs. The proposed approach provides an instantaneous m...

Mechanical and magneto-opto-electronic investigation of transition metal based fluoro-perovskites: An ab-initio DFT study

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

Detailed ab-initio calculations are performed to investigate structural, elastic, mechanical, magneto-electronic and optical properties of the KXF3 (X = V, Fe, Co, Ni) fluoro-perovskites using Full Potential Linearized Augmented Plane Wave (FP-LAPW) method within the framework of density functional theory (DFT). The calculated structural parameters by DFT and analytical methods are found consistent with the experimental results. From the elastic and mechanical properties, it can be inferred that these compounds are elastically stable and anisotropic while KCoF3 is harder than rest of the compounds. Furthermore, thermal behavior of these compounds is analyzed by calculating Debye temperature (θD). The calculated spin dependent magneto-electronic properties in these compounds reveal that exchange splitting is dominated by N-3d orbital. The stable magnetic phase optimizations verify the experimental observations at low temperature. Type of chemical bonding is analyzed with the help of variations in electron density difference distribution that is induced due to changes of the second cation. The linear optical properties are also discussed in terms of optical spectra. The present methodology represents an influential approach to calculate the whole set of mechanical and magneto-opto-electronic parameters, which would support to understand various physical phenomena and empower device engineers for implementing these materials in spintronic applications.

Selected approaches for rational drug design and high throughput screening to identify anti-cancer molecules.

PubMed

Hedvat, Michael; Emdad, Luni; Das, Swadesh K; Kim, Keetae; Dasgupta, Santanu; Thomas, Shibu; Hu, Bin; Zhu, Shan; Dash, Rupesh; Quinn, Bridget A; Oyesanya, Regina A; Kegelman, Timothy P; Sokhi, Upneet K; Sarkar, Siddik; Erdogan, Eda; Menezes, Mitchell E; Bhoopathi, Praveen; Wang, Xiang-Yang; Pomper, Martin G; Wei, Jun; Wu, Bainan; Stebbins, John L; Diaz, Paul W; Reed, John C; Pellecchia, Maurizio; Sarkar, Devanand; Fisher, Paul B

2012-11-01

Structure-based modeling combined with rational drug design, and high throughput screening approaches offer significant potential for identifying and developing lead compounds with therapeutic potential. The present review focuses on these two approaches using explicit examples based on specific derivatives of Gossypol generated through rational design and applications of a cancer-specificpromoter derived from Progression Elevated Gene-3. The Gossypol derivative Sabutoclax (BI-97C1) displays potent anti-tumor activity against a diverse spectrum of human tumors. The model of the docked structure of Gossypol bound to Bcl-XL provided a virtual structure-activity-relationship where appropriate modifications were predicted on a rational basis. These structure-based studies led to the isolation of Sabutoclax, an optically pure isomer of Apogossypol displaying superior efficacy and reduced toxicity. These studies illustrate the power of combining structure-based modeling with rational design to predict appropriate derivatives of lead compounds to be empirically tested and evaluated for bioactivity. Another approach to cancer drug discovery utilizes a cancer-specific promoter as readouts of the transformed state. The promoter region of Progression Elevated Gene-3 is such a promoter with cancer-specific activity. The specificity of this promoter has been exploited as a means of constructing cancer terminator viruses that selectively kill cancer cells and as a systemic imaging modality that specifically visualizes in vivo cancer growth with no background from normal tissues. Screening of small molecule inhibitors that suppress the Progression Elevated Gene-3-promoter may provide relevant lead compounds for cancer therapy that can be combined with further structure-based approaches leading to the development of novel compounds for cancer therapy.

The progress in the cholinesterase quantification methods.

PubMed

Holas, Ondrej; Musilek, Kamil; Pohanka, Miroslav; Kuca, Kamil

2012-12-01

Determination of acetylcholinesterase and butyrylcholinesterase activity has become an important tool in drug design and discovery as well as in medicine and toxicology. There are a large number of compounds that are able to modulate cholinesterase activity. These compounds can be used for pharmacological management of various disorders (e.g., Alzheimer's disease, myasthenia Gravis). Moreover, organophosphate poisoning is frequently diagnosed via a cholinesterase activity assay. This broad variety of methods has been developed over the past decades for cholinesterase activity quantification. This review provides a summary of the methods that are based on specific properties of cholinesterases and their interactions with native or artificial substrates. The authors also aim to provide an overview of different techniques used for the determination of quantitative cholinesterase activity. Specifically, the authors describe and discuss the manometric, potentiometric, titrimetric, photometric, fluorometric, and radioisotopic methods. Existing methods are able to cover most of the problems that arise during cholinesterase activity determination. Colorimetry according to Ellman has proved to be the most useful and versatile approach. It may be used in various protocols for the determination of pesticide or nerve agent exposure or for the development of new drugs. Its possible improvement lies in optimization of hemoglobin-rich samples. The progress of the most common methods (including Ellman) depends on miniaturization and modern physical platforms (e.g., optical fibers, chip methods, or nanotechnologies).

Antioxidant Phytochemicals in Fresh Produce: Exploitation of Genotype Variation and Advancements in Analytical Protocols

PubMed Central

Manganaris, George A.; Goulas, Vlasios; Mellidou, Ifigeneia; Drogoudi, Pavlina

2018-01-01

Horticultural commodities (fruit and vegetables) are the major dietary source of several bioactive compounds of high nutraceutical value for humans, including polyphenols, carotenoids and vitamins. The aim of the current review was dual. Firstly, toward the eventual enhancement of horticultural crops with bio-functional compounds, the natural genetic variation in antioxidants found in different species and cultivars/genotypes is underlined. Notably, some landraces and/or traditional cultivars have been characterized by substantially higher phytochemical content, i.e., small tomato of Santorini island (cv. “Tomataki Santorinis”) possesses appreciably high amounts of ascorbic acid (AsA). The systematic screening of key bioactive compounds in a wide range of germplasm for the identification of promising genotypes and the restoration of key gene fractions from wild species and landraces may help in reducing the loss of agro-biodiversity, creating a healthier “gene pool” as the basis of future adaptation. Toward this direction, large scale comparative studies in different cultivars/genotypes of a given species provide useful insights about the ones of higher nutritional value. Secondly, the advancements in the employment of analytical techniques to determine the antioxidant potential through a convenient, easy and fast way are outlined. Such analytical techniques include electron paramagnetic resonance (EPR) and infrared (IR) spectroscopy, electrochemical, and chemometric methods, flow injection analysis (FIA), optical sensors, and high resolution screening (HRS). Taking into consideration that fruits and vegetables are complex mixtures of water- and lipid-soluble antioxidants, the exploitation of chemometrics to develop “omics” platforms (i.e., metabolomics, foodomics) is a promising tool for researchers to decode and/or predict antioxidant activity of fresh produce. For industry, the use of optical sensors and IR spectroscopy is recommended to estimate the antioxidant activity rapidly and at low cost, although legislation does not allow its correlation with health claims. PMID:29468146

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

NASA Astrophysics Data System (ADS)

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.

Ferroelectric Nematic and Ferrielectric Smectic Mesophases in an Achiral Bent-Core Azo Compound.

PubMed

Kumar, Jitendra; Prasad, Veena

2018-03-22

Here, we report the observation of ferroelectric nematic and ferrielectric smectic mesophases in an achiral bent-core azo compound consisting of nonsymmetrical molecules with a lateral fluoro substitution on one of the wings. These mesophases are enantiotropic in nature with fairly low transition temperatures and wide mesophase ranges. The liquid crystalline properties of this compound are investigated using polarizing optical microscope, differential scanning calorimeter, X-ray diffraction, and electro-optical studies. As revealed by X-ray diffraction measurements, the nematic mesophase is composed of skewed cybotactic clusters and, in the smectic mesophase, the molecules are tilted with respect to the layer normal. The polar order in these mesophases was confirmed by the electro-optical switching and dielectric spectroscopy measurements. The dielectric study in the nematic mesophase shows a single relaxation process at low frequency ( f < 1 kHz) measured in the range 10 Hz to 5 MHz, which is attributed to the collective motion of the molecules within cybotactic clusters. The formation of local polar order in these clusters leads to a ferroelectric-like polar switching in the nematic mesophase. Of particular interest is the fact that the smectic phase exhibits a field induced ferrielectric state, which can be exploited for designing of the potential optical devices due to multistate switching.

Escaping compound eye ancestry: the evolution of single-chamber eyes in holometabolous larvae.

PubMed

Buschbeck, Elke K

2014-08-15

Stemmata, the eyes of holometabolous insect larvae, have gained little attention, even though they exhibit remarkably different optical solutions, ranging from compound eyes with upright images, to sophisticated single-chamber eyes with inverted images. Such optical differences raise the question of how major transitions may have occurred. Stemmata evolved from compound eye ancestry, and optical differences are apparent even in some of the simplest systems that share strong cellular homology with adult ommatidia. The transition to sophisticated single-chamber eyes occurred many times independently, and in at least two different ways: through the fusion of many ommatidia [as in the sawfly (Hymenoptera)], and through the expansion of single ommatidia [as in tiger beetles (Coleoptera), antlions (Neuroptera) and dobsonflies (Megaloptera)]. Although ommatidia-like units frequently have multiple photoreceptor layers (tiers), sophisticated image-forming stemmata tend to only have one photoreceptor tier, presumably a consequence of the lens only being able to efficiently focus light on to one photoreceptor layer. An interesting exception is found in some diving beetles [Dytiscidae (Coleoptera)], in which two retinas receive sharp images from a bifocal lens. Taken together, stemmata represent a great model system to study an impressive set of optical solutions that evolved from a relatively simple ancestral organization. © 2014. Published by The Company of Biologists Ltd.

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

Catadioptric planar compound eye with large field of view.

PubMed

Deng, Huaxia; Gao, Xicheng; Ma, Mengchao; Li, Yunyang; Li, Hang; Zhang, Jin; Zhong, Xiang

2018-05-14

The planar compound eye has the advantages of simple structure and no requirement for complex relay optical elements, but the field of view (FOV) is very difficult to expand. Overcoming the limitation of FOV, especially with simple structures, is a great challenge for the development of planar compound eyes. Different from the existing designs that only considering refraction, this article proposes a catadioptric planar compound eye based on the reflection and refraction to expand the FOV. In the proposed design, the incident light from a large angle is reflected into the lenslet array by two rotationally symmetric mirrors whose surface equations are optimized by mathematical and optical softwares. The FOV of the proposed catadioptric planar compound eye theoretically can reach 96.6°, which is much wider than the opening record of 70°. Moreover, no distortion of the imaging system can be obtained theoretically in this design. Simulation results show a linearity of better than 99% for the most of the incident angles. The verification experiments show that the FOV of the proposed device can reach 90.7° while the FOV of the corresponding planar compound eye without mirrors is 41.6°. The proposed catadioptric planar compound eye has the great potential in monitoring, detection and virtual reality since the FOV has been widen significantly.

Corona discharge radical emission spectroscopy: a multi-channel detector with nose-type function for discrimination analysis.

PubMed

Tian, Yunfei; Wu, Peng; Wu, Xi; Jiang, Xiaoming; Xu, Kailai; Hou, Xiandeng

2013-04-21

A simple and economical multi-channel optical sensor using corona discharge radical emission spectroscopy is developed and explored as an optical nose for discrimination analysis of volatile organic compounds, wines, and even isomers.

DEMONSTRATION BULLETIN: RAPID OPTICAL SCREEN TOOL (ROST™) - LORAL CORPORATION

EPA Science Inventory

The Loral Rapid Optical Screen Tool (ROST™) is a tunable dye laser system used for the detection of petroleum, semi-volatile, and some volatile organic compounds in soils. The technology is used in conjunction with a cone penetrometer (CP).

Engaging the optics community in the development of informative, accessible resources focusing on careers

NASA Astrophysics Data System (ADS)

Poulin-Girard, Anne-Sophie; Gingras, F.; Zambon, V.; Thériault, G.

2014-09-01

Young people often have biased and pre-conceived ideas about scientists and engineers that can dissuade them from considering a career in optics. This situation is compounded by the fact that existing resources on careers in optics are not suitable since they mostly focus on more general occupations such as a physicist and an electrical engineer. In addition, the linguistic register is not adapted for students, and many of these resources are only available to guidance counselors. To create appropriate resources that will inform high school students on different career opportunities in optics and photonics, we sought the collaboration of our local optics community. We selected seven specific occupations: entrepreneur in optics, university professor, teacher, technician, research and development engineer, sales representative and graduate student in optics. For each career, a list of daily tasks was created from the existing documentation by a guidance counselor and was validated by an expert working in the field of optics. Following a process of validation, we built surveys in which professionals were asked to select the tasks that best represented their occupation. The surveys were also used to gather other information such as level of education and advice for young people wishing to pursue careers in optics. Over 175 professionals answered the surveys. With these results, we created a leaflet and career cards that are available online and depict the activities of people working in optics and photonics. We hope that these resources will help counter the negative bias against scientific careers and inform teenagers and young adults on making career choices that are better suited to their preferences and aspirations.

Matrix Optical Absorption in UV-MALDI MS

NASA Astrophysics Data System (ADS)

Robinson, Kenneth N.; Steven, Rory T.; Bunch, Josephine

2018-03-01

In ultraviolet matrix-assisted laser desorption/ionization mass spectrometry (UV-MALDI MS) matrix compound optical absorption governs the uptake of laser energy, which in turn has a strong influence on experimental results. Despite this, quantitative absorption measurements are lacking for most matrix compounds. Furthermore, despite the use of UV-MALDI MS to detect a vast range of compounds, investigations into the effects of laser energy have been primarily restricted to single classes of analytes. We report the absolute solid state absorption spectra of the matrix compounds α-cyano-4-hydroxycinnamic acid (CHCA), para-nitroaniline (PNA), 2-mercaptobenzothiazole (MBT), 2,5-dihydroxybenzoic acid (2,5-DHB), and 2,4,6-trihydroxyacetophenone (THAP). The desorption/ionization characteristics of these matrix compounds with respect to laser fluence was investigated using mixed systems of matrix with either angiotensin II, PC(34:1) lipid standard, or haloperidol, acting as representatives for typical classes of analyte encountered in UV-MALDI MS. The first absolute solid phase spectra for PNA, MBT, and THAP are reported; additionally, inconsistencies between previously published spectra for CHCA are resolved. In light of these findings, suggestions are made for experimental optimization with regards to matrix and laser wavelength selection. The relationship between matrix optical cross-section and wavelength-dependant threshold fluence, fluence of maximum ion yield, and R, a new descriptor for the change in ion intensity with fluence, are described. A matrix cross-section of 1.3 × 10-17 cm-2 was identified as a potential minimum for desorption/ionization of analytes.

Matrix Optical Absorption in UV-MALDI MS.

PubMed

Robinson, Kenneth N; Steven, Rory T; Bunch, Josephine

2018-03-01

In ultraviolet matrix-assisted laser desorption/ionization mass spectrometry (UV-MALDI MS) matrix compound optical absorption governs the uptake of laser energy, which in turn has a strong influence on experimental results. Despite this, quantitative absorption measurements are lacking for most matrix compounds. Furthermore, despite the use of UV-MALDI MS to detect a vast range of compounds, investigations into the effects of laser energy have been primarily restricted to single classes of analytes. We report the absolute solid state absorption spectra of the matrix compounds α-cyano-4-hydroxycinnamic acid (CHCA), para-nitroaniline (PNA), 2-mercaptobenzothiazole (MBT), 2,5-dihydroxybenzoic acid (2,5-DHB), and 2,4,6-trihydroxyacetophenone (THAP). The desorption/ionization characteristics of these matrix compounds with respect to laser fluence was investigated using mixed systems of matrix with either angiotensin II, PC(34:1) lipid standard, or haloperidol, acting as representatives for typical classes of analyte encountered in UV-MALDI MS. The first absolute solid phase spectra for PNA, MBT, and THAP are reported; additionally, inconsistencies between previously published spectra for CHCA are resolved. In light of these findings, suggestions are made for experimental optimization with regards to matrix and laser wavelength selection. The relationship between matrix optical cross-section and wavelength-dependant threshold fluence, fluence of maximum ion yield, and R, a new descriptor for the change in ion intensity with fluence, are described. A matrix cross-section of 1.3 × 10 -17 cm -2 was identified as a potential minimum for desorption/ionization of analytes. Graphical Abstract ᅟ.

The cyclohexene ring system as a furanose mimic: synthesis and antiviral activity of both enantiomers of cyclohexenylguanine.

PubMed

Wang, J; Froeyen, M; Hendrix, C; Andrei, G; Snoeck, R; De Clercq, E; Herdewijn, P

2000-02-24

Both enantiomers of cyclohexenylguanine were synthesized in a stereospecific way starting from the same starting material: R-(-)-carvone. Both compounds showed potent and selective anti-herpesvirus activity (HSV-1, HSV-2, VZV, CMV). The binding of both cyclohexene nucleosides in the active site of HSV-1 thymidine kinase was investigated, and a model for the binding of both enantiomers is proposed. The amino acids involved in binding of the optical antipodes are the same, but the interaction energy of both enantiomers is slightly different. This may be attributed to the interaction of the secondary hydroxyl function of the nucleoside analogues with Glu-225. Structural analysis has demonstrated the flexibility of the cyclohexenyl system, and this may be considered as an important conformational characteristic explaining the potent antiviral activity.

Optochemical Control of Protein Localization and Activity within Cell-like Compartments.

PubMed

Caldwell, Reese M; Bermudez, Jessica G; Thai, David; Aonbangkhen, Chanat; Schuster, Benjamin S; Courtney, Taylor; Deiters, Alexander; Hammer, Daniel A; Chenoweth, David M; Good, Matthew C

2018-05-08

We report inducible dimerization strategies for controlling protein positioning, enzymatic activity, and organelle assembly inside synthetic cell-like compartments upon photostimulation. Using a photocaged TMP-Haloligand compound, we demonstrate small molecule and light-induced dimerization of DHFR and Haloenzyme to localize proteins to a compartment boundary and reconstitute tripartite sfGFP assembly. Using photocaged rapamycin and fragments of split TEV protease fused to FRB and FKBP, we establish optical triggering of protease activity inside cell-size compartments. We apply light-inducible protease activation to initiate assembly of membraneless organelles, demonstrating the applicability of these tools for characterizing cell biological processes in vitro. This modular toolkit, which affords spatial and temporal control of protein function in a minimal cell-like system, represents a critical step toward the reconstitution of a tunable synthetic cell, built from the bottom up.

Infrared emitting device and method

DOEpatents

Kurtz, Steven R.; Biefeld, Robert M.; Dawson, L. Ralph; Howard, Arnold J.; Baucom, Kevin C.

1997-01-01

An infrared emitting device and method. The infrared emitting device comprises a III-V compound semiconductor substrate upon which are grown a quantum-well active region having a plurality of quantum-well layers formed of a ternary alloy comprising InAsSb sandwiched between barrier layers formed of a ternary alloy having a smaller lattice constant and a larger energy bandgap than the quantum-well layers. The quantum-well layers are preferably compressively strained to increase the threshold energy for Auger recombination; and a method is provided for determining the preferred thickness for the quantum-well layers. Embodiments of the present invention are described having at least one cladding layer to increase the optical and carrier confinement in the active region, and to provide for waveguiding of the light generated within the active region. Examples have been set forth showing embodiments of the present invention as surface- and edge-emitting light emitting diodes (LEDs), an optically-pumped semiconductor laser, and an electrically-injected semiconductor diode laser. The light emission from each of the infrared emitting devices of the present invention is in the midwave infrared region of the spectrum from about 2 to 6 microns.

Hemispherical-field-of-view, nonimaging narrow-band spectral filter

NASA Technical Reports Server (NTRS)

Miles, R. B.; Webb, S. G.; Griffith, E. L.

1981-01-01

Two compound parabolic concentrators are used to create a 180-deg-field-of-view spectral filter. The collection optics are reflective and are designed to collimate the light through a multilayer interference filter and then to refocus it onto an optical detector. Assuming unit reflectance and no loss through the optical filter, this device operates at the thermodynamic collection limit.

Hemispherical-field-of-view, nonimaging narrow-band spectral filter.

PubMed

Miles, R B; Webb, S G; Griffith, E L

1981-12-01

Two compound parabolic concentrators are used to create a 180 degrees -field-of-view spectral filter. The collection optics are reflective and are designed to collimate the light through a multilayer interference filter and then to refocus it onto an optical detector. Assuming unit reflectance and no loss through the optical filter, this device operates at the thermodynamic collection limit.

Trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics.

PubMed

Hong, Feng; Lin, Wenjun; Meng, Weiwei; Yan, Yanfa

2016-02-14

We propose trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant solar cell applications. Through density functional theory calculations, we show that these compounds exhibit similar electronic and optical properties to kesterite Cu2ZnSnS4 (CZTS): high optical absorption with band gaps suitable for efficient single-junction solar cell applications. However, the trigonal Cu2-II-Sn-VI4 compounds exhibit defect properties more suitable for photovoltaic applications than those of CZTS. In CZTS, the dominant defects are the deep acceptors, Cu substitutions on Zn sites, which cause non-radiative recombination and limit the open-circuit voltages of CZTS solar cells. On the contrary, the dominant defects in trigonal Cu2-II-Sn-VI4 are the shallow acceptors, Cu vacancies, similar to those in CuInSe2. Our results suggest that the trigonal Cu2-II-Sn-VI4 quaternary compounds could be promising candidates for efficient earth-abundant thin-film solar cell and photoeletrochemical water-splitting applications.

Linear and nonlinear optical properties of α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-11-01

The linear and nonlinear optical properties of α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds are performed using the first-principles calculations. Particularly, we appraised the optical dielectric function and the second-harmonic generation (SHG) response. We have analyzed the linear optical properties, i.e. the real and imaginary part of the dielectric tensor, the reflectivity, refractive index, extension coefficient and energy loss function. The linear optical properties show a considerable anisotropy which is important for SHG as it is defined by the phase-matching condition. The scrutiny of the roles of diverse transitions to the SHG coefficients demonstrates that the virtual electron process is foremost. The features in the spectra of χ322(2)(ω) are successfully interrelated with the character of the linear dielectric function ε(ω) in terms of single-photon and two-photon resonances. In additional, we have calculated the first hyperpolarizability, βijk, for the dominant component at the static limit for the for α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds. The calculated values of β322(ω) are 2.28 × 10-30 esu for α-K2Hg3Ge2S8 and 3.69 × 10-30 esu for α-K2Hg3Sn2S8.

Summer Research Program (1992). Summer Faculty Research Program (SFRP) Reports. Volume 5B. Wright Laboratory

DTIC Science & Technology

1992-12-01

composite system was made of carbon black-filled proprietary rubber compound matrix and 1260/2 39- 6 nylon cord reinforcement laid at an angle of +/-38...1.5 urn. 2) These are ternary compounds without the additional complication of added phosphorous as in the common compound InGaAsP. 3) Recent...theoretical coirputations indicate that these compounds may have large optical nonlinearities. For thin layers the lattice mismatch induces internal strain

Comparative studies of structural, thermal, optical, and electrochemical properties of azines with different end groups with their azomethine analogues toward application in (opto)electronics.

PubMed

Sek, Danuta; Siwy, Mariola; Bijak, Katarzyna; Grucela-Zajac, Marzena; Malecki, Grzegorz; Smolarek, Karolina; Bujak, Lukasz; Mackowski, Sebastian; Schab-Balcerzak, Ewa

2013-10-10

Two series of azines and their azomethine analogues were prepared via condensation reaction of benzaldehyde, 2-hydroxybenzaldehyde, 4-pyridinecarboxaldehyde, 2-thiophenecarboxaldehyde, and 4-(diphenylamino)benzaldehyde with hydrazine monohydrate and 1,4-phenylenediamine, respectively. The structures of given compounds were characterized by FTIR, (1)H NMR, and (13)C NMR spectroscopy as well as elemental analysis. Optical, electrochemical, and thermal properties of all compounds were investigated by means of differential scanning calorimetry (DSC), UV-vis spectroscopy, stationary and time-resolved photoluminescence spectroscopy, and cycling voltammetry (CV). Additionally, the electronic properties, that is, orbital energies and resulting energy gap were calculated theoretically by density functional theory (DFT). Influence of chemical structure of the compounds on their properties was analyzed.

Novel carbazole derivatives with quinoline ring: synthesis, electronic transition, and two-photon absorption three-dimensional optical data storage.

PubMed

Li, Liang; Wang, Ping; Hu, Yanlei; Lin, Geng; Wu, Yiqun; Huang, Wenhao; Zhao, Quanzhong

2015-03-15

We designed carbazole unit with an extended π conjugation by employing Vilsmeier formylation reaction and Knoevenagel condensation to facilitate the functional groups of quinoline from 3- or 3,6-position of carbazole. Two compounds doped with poly(methyl methacrylate) (PMMA) films were prepared. To explore the electronic transition properties of these compounds, one-photon absorption properties were experimentally measured and theoretically calculated by using the time-dependent density functional theory. We surveyed these films by using an 800 nm Ti:sapphire 120-fs laser with two-photon absorption (TPA) fluorescence emission properties and TPA coefficients to obtain the TPA cross sections. A three-dimensional optical data storage experiment was conducted by using a TPA photoreaction with an 800 nm-fs laser on the film to obtain a seven-layer optical data storage. The experiment proves that these carbazole derivatives are well suited for two-photon 3D optical storage, thus laying the foundation for the research of multilayer high-density and ultra-high-density optical information storage materials. Copyright © 2014 Elsevier B.V. All rights reserved.

Optical analysis of a compound quasi-microscope for planetary landers

NASA Technical Reports Server (NTRS)

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.

A selective optical sensor for picric acid assay based on photopolymerization of 3-(N-methacryloyl) amino-9-ethylcarbazole.

PubMed

Hu, Yan-Jun; Tan, Shu-Zhen; Shen, Guo-Li; Yu, Ru-Qin

2006-06-16

A novel optical sensor based on covalent immobilization for picric acid assay has been described. To improve the stability of the sensor, a terminal double bond was attached to the fluorescent compound, 3-amino-9-ethylcarbazole (AEC), via methacryloyl chloride. The resultant compound, 3-(N-methacryloyl) amino-9-ethylcarbazole (MAEC) was copolymerized with 2-hydroxypropyl methacrylate on surface-modified quartz glass plates by UV irradiation. The resulting optical sensor (optode membrane) was used to determine picric acid based on fluorescence quenching. It shows a linear response toward picric acid in the concentration range of 9.33 x 10(-8) to 9.33 x 10(-5) mol l(-1), with rapid response, high stability and good selectivity to picric acid.

Differential two-body compound nuclear cross section, including the width-fluctuation corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, D.; Herman, M.

2014-09-02

We figure out the compound angular differential cross sections, following mainly Fröbrich and Lipperheide, but with the angular momentum couplings that make sense for optical model work. We include the width-fluctuation correction along with calculations.

IRIS Toxicological Review of Thallium and Compounds (External Review Draft)

EPA Science Inventory

Thallium compounds are used in the semiconductor industry, the manufacture of optic lenses and low-melting glass, low-temperature thermometers, alloys, electronic devices, mercury lamps, fireworks, and imitation germs, and clinically as an imaging agent in the diagnosis of certai...

Uncommon and Emissive {[Au2(C3H6NS2)2][Au(C3H6NS2)2]2(PF6)2} Mixed Au+ and Au3+ Pseudotetranuclear Crystalline Compound: Synthesis, Structural Characterization, and Optical Properties.

PubMed

Langaro, Ana P; Souza, Ana K R; Morassuti, Claudio Y; Lima, Sandro M; Casagrande, Gleison A; Deflon, Victor M; Nunes, Luiz A O; Da Cunha Andrade, Luis H

2016-11-23

An uncommon emissive pseudotetranuclear compound, {[Au 2 (C 3 H 6 NS 2 ) 2 ][Au(C 3 H 6 NS 2 ) 2 ] 2 (PF 6 ) 2 }, was synthesized and characterized in terms of its structure and optical properties. The synthesis produced a crystalline compound composed of four gold atoms with two different oxidation states (Au + and Au 3+ ) in the same crystalline structure. The title complex belonged to a triclinic crystalline system involving the centrosymmetric P1̅ space group. X-ray diffractometry and vibrational spectroscopy (infrared, Raman, and SERS) were used for structural characterization of the new crystal. The vibrational spectroscopy techniques supported the X-ray diffraction results and confirmed the presence of bonds including Au-Au and Au-S. Optical characterization performed using UV-vis spectroscopy showed that under ultraviolet excitation, the emissive crystalline complex presented characteristic broad luminescent bands centered at 420 and 670 nm.

Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide

NASA Astrophysics Data System (ADS)

Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng

2014-10-01

A new selenidoantimonate (CH3NH4)[Mn(phen)2](SbSe4)·phen (1, phen=1,10-phenanthroline) and an iron polyselenide [Fe(phen)2](Se4) (2) were obtained under hydro(solvo)thermal conditions. Compound 1 represents the first example of a selenidoantimonate anion as a ligand to a transition-metal π-conjugated ligand complex cation. Compound 2 containing a κ2Se1,Se4 chelating tetraselenide ligand, represents the only example of a tetraselenide ligand to a Fe complex cation. Compounds 1 and 2 exhibit optical gaps of 1.71 and 1.20 eV, respectively and their thermal stabilities have been investigated by thermogravimetric analyses. The electronic band structure along with the density of states calculated by the DFT method indicate that the optical absorptions mainly originate from the charge transitions from the Se 4p and Mn 3d states to the phen p-π* orbital for 1 and the Se 4p and Fe 3d states to the phen p-π* orbital for 2.

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

NASA Astrophysics Data System (ADS)

Ali, Md. Lokman; Rahaman, Md. Zahidur

2018-04-01

By using first principles calculation dependent on the density functional theory (DFT), we have investigated the mechanical, structural properties and the Debye temperature of Fe2ScM (M=P and As) compounds under various pressures up to 60 GPa. The optical properties have been investigated under zero pressure. Our calculated optimized structural parameters of both the materials are in good agreement with other theoretical predictions. The calculated elastic constants show that Fe2ScM (M=P and As) compounds are mechanically stable under external pressure below 60 GPa. From the elastic constants, the shear modulus G, the bulk modulus B, Young’s modulus E, anisotropy factor A and Poisson’s ratio ν are calculated by using the Voigt-Reuss-Hill approximation. The Debye temperature and average sound velocities are also investigated from the obtained elastic constants. The detailed analysis of all optical functions reveals that both compounds are good dielectric material.

Molecularly stabilised ultrasmall gold nanoparticles: synthesis, characterization and bioactivity

NASA Astrophysics Data System (ADS)

Leifert, Annika; Pan-Bartnek, Yu; Simon, Ulrich; Jahnen-Dechent, Willi

2013-06-01

Gold nanoparticles (AuNPs) are widely used as contrast agents in electron microscopy as well as for diagnostic tests. Due to their unique optical and electrical properties and their small size, there is also a growing field of potential applications in medical fields of imaging and therapy, for example as drug carriers or as active compounds in thermotherapy. Besides their intrinsic optical properties, facile surface decoration with (bio)functional ligands renders AuNPs ideally suited for many industrial and medical applications. However, novel AuNPs may have toxicological profiles differing from bulk and therefore a thorough analysis of the quantitative structure-activity relationship (QSAR) is required. Several mechanisms are proposed that cause adverse effects of nanoparticles in biological systems. Catalytic generation of reactive species due to the large and chemically active surface area of nanomaterials is well established. Because nanoparticles approach the size of biological molecules and subcellular structures, they may overcome natural barriers by active or passive uptake. Ultrasmall AuNPs with sizes of 2 nm or less may even behave as molecular ligands. These types of potential interactions would imply a size and ligand-dependent behaviour of any nanomaterial towards biological systems. Thus, to fully understand their QSAR, AuNPs bioactivity should be analysed in biological systems of increasing complexity ranging from cell culture to whole animal studies.

Methods of making composite optical devices employing polymer liquid crystal

DOEpatents

Jacobs, S.D.; Marshall, K.L.; Cerqua, K.A.

1991-10-08

Composite optical devices are disclosed using polymer liquid crystal materials both as optical and adhesive elements. The devices are made by assembling a heated polymer liquid crystal compound, while in a low viscosity form between optically transparent substrates. The molecules of the polymer are oriented, while in the liquid crystalline state and while above the glass transition temperature (T[sub g]) of the polymer, to provide the desired optical effects, such as polarization, and selective reflection. The liquid crystal polymer cements the substrates together to form an assembly providing the composite optical device. 7 figures.

Synthesis and optical characterization of novel carbazole Schiff bases

NASA Astrophysics Data System (ADS)

Çiçek, Baki; Çalışır, Ümit; Tavaslı, Mustafa; Tülek, Remziye; Teke, Ali

2018-02-01

In this study, newly substituted carbazole derivatives of S1; (Z)-4-((9-isobutyl-9H-carbazol-3-ylimino)methyl)phenol, S2; (Z)-9-butyl- N-(2,3,4-trimethoxybenzylidine)-9H-carbazol-3-amine, S3; (Z)-4-((9-octyl-9H-carbazol-3-ylimino)methyl)benzene-1,2-diol and S4; (Z)-3-((9-octyl-9H-carbazol-3-ylimino)methyl)benzene-1,2-diol compounds are synthesized by using condensation reaction between carbazole amines and aromatic aldehydes. All synthesized carbazole Schiff bases are purified by crystallizing from chloroform. The structural and optical characterizations of synthesized compounds are investigated by FT-IR (Fourier Transform-Infrared Spectroscopy), 1H NMR (Proton Nuclear Magnetic Resonance), 13C NMR (Carbon Nuclear Magnetic Resonance), LC-MS (Liquid Chromatography-Mass Spectrometry) and temperature dependent PL (Photoluminescence) measurements. The formations of synthesized Schiff bases were confirmed by FT-IR, NMR and microanalysis. Due to stronger π-conjugation and efficient charge transfer from host material, the broad and complex bands centered at about ∼2.16 and ∼1.76 eV are observed in PL spectra for all samples. Their relative intensities depend on functional groups associated with the carbazole. These newly synthesized Schiff bases could be considered as an active emissive layer for organic light emitting diodes.

Studies of the Electro-Optic Effect.

DTIC Science & Technology

1983-01-01

electro - optic effect in crystalline solids has been pursued by employing a tight-binding theory for dielectric susceptibilities. The electronic and lattice contributions to the second-order electro - optic susceptibility have been treated separately and the lattice response of a crystal to an external dc electric field has been investigated in a general formalism. The theory has been specifically applied to the compound, tellurium dioxide. In addition, an experimental determination of the electro - optic coefficient, re, in thallium

Materials for Digital Optical Design:. a Survey Study

NASA Astrophysics Data System (ADS)

Ismail, Ayman Abdel Khader; Ismail, Imane Aly Saroit; Ahmed, S. H.

2010-04-01

In the last few years digital optical design had major attention in research fields. Many researches were published in the fields of optical materials, instruments, circuit design and devices. This is considered to be the most multidisciplinary field and requires for its success collaborative efforts of many disciplines, ranging from device and optical engineers to computer architects, chemists, material scientists, and optical physicists. In this study we will introduce a survey of the latest papers in the field of optical materials and its properties for light; this paper is organized in three major sections, optical glasses, compound materials and nonlinear absorption (multi photon absorption) and up-conversion.

Pb0.65Mn2.85Ga3S8 and Pb0.72Mn2.84Ga2.95Se8: Two Quaternary Metal Chalcognides with Open-Tunnel-Framework Structures Displaying Intense Second Harmonic Generation Responses and Interesting Magnetic Properties.

PubMed

Zhou, Molin; Jiang, Xingxing; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng

2017-07-17

By combining different nonlinear optical-active structural chromophores with transition metal Mn into a crystal structure, two novel quaternary metal chalcogenides Pb 0.65 Mn 2.85 Ga 3 S 8 (1) and Pb 0.72 Mn 2.84 Ga 2.95 Se 8 (2) were successfully synthesized. Compounds 1 and 2 are isostructural, and they represent a new structure type that crystallizes in the space group P6̅ (No. 174) in the hexagonal system. Their structures feature an interesting three-dimensional open-tunnel framework composed of bridged infinite chains with Pb 2+ cations filling in the biggest tunnels. Interestingly, both 1 and 2 demonstrate intense second harmonic generation responses at 2.09 μm that is about 1.5 and 4.4 times, respectively, of that of the benchmark material AgGaS 2 . However, 1 and 2 possess different optical diffuse reflectance spectra: 1 displays an evident multiband absorption characteristic with two distinguishing absorption edges of 738 and 551 nm, corresponding to two band gaps of 1.68 and 2.25 eV, respectively, while 2 exhibits only one sharp edge, and the corresponding band gap was estimated to be 1.65 eV. Moreover, apart from the considerable structural similarity between 1 and 2, the dc temperature dependent susceptibility measurements indicate that compound 1 is paramagnetic, while compound 2 exhibits spin-glass-like behavior.

Spin orbit and tetragonal crystalline field interaction in the valence band of CuInSe2-related ordered vacancy compound CuIn7Se12

NASA Astrophysics Data System (ADS)

Reena Philip, Rachel; Pradeep, B.; Shripathi, T.

2005-04-01

Thin films of the off-tie-line ordered vacancy compound CuIn7Se12 were deposited on optically flat glass substrates by multi-source co-evaporation method. The preliminary structural, compositional and morphological characterizations were done using X-ray diffraction, energy dispersive X-ray analysis and atomic force microscopy. The X-ray diffraction data were further analysed applying the Nelson-Riley method and CTB plus = experiment rule, respectively, for lattice constants (a = 5.746 Å and c = 11.78 Å) and bond length estimations (RCu-Se = 2.465 Å and RIn-Se = 2.554 Å). A detailed analysis of the optical absorption spectra of the compound, which exhibited a three-fold optical absorption structure in the fundamental gap region, yielded three characteristic direct energy gaps at 1.37, 1.48(7) and 1.72(8) eV indicative of valence band splitting, which were evaluated using Hopfield's quasi-cubic model. The 0.04 eV increase in spin-orbit splitting parameter of the compound (0.27 eV) compared to that of CuInSe2 (0.23 eV) is found to be suggestive of the smaller contribution of Cu d orbitals to hybridization (determined by the linear hybridization model) in this Cu-deficient compound. Spectral response spectra exhibit, in addition to a maximum around 1.34 ± 0.03 eV, two other defect transition peaks near 1.07 and 0.85 eV. The binding energies of Cu, In and Se in the compound were determined using X-ray photoelectron spectroscopy.

Improved selectivity from a wavelength addressable device for wireless stimulation of neural tissue

PubMed Central

Seymour, Elif Ç.; Freedman, David S.; Gökkavas, Mutlu; Özbay, Ekmel; Sahin, Mesut; Ünlü, M. Selim

2014-01-01

Electrical neural stimulation with micro electrodes is a promising technique for restoring lost functions in the central nervous system as a result of injury or disease. One of the problems related to current neural stimulators is the tissue response due to the connecting wires and the presence of a rigid electrode inside soft neural tissue. We have developed a novel, optically activated, microscale photovoltaic neurostimulator based on a custom layered compound semiconductor heterostructure that is both wireless and has a comparatively small volume (<0.01 mm3). Optical activation provides a wireless means of energy transfer to the neurostimulator, eliminating wires and the associated complications. This neurostimulator was shown to evoke action potentials and a functional motor response in the rat spinal cord. In this work, we extend our design to include wavelength selectivity and thus allowing independent activation of devices. As a proof of concept, we fabricated two different microscale devices with different spectral responsivities in the near-infrared region. We assessed the improved addressability of individual devices via wavelength selectivity as compared to spatial selectivity alone through on-bench optical measurements of the devices in combination with an in vivo light intensity profile in the rat cortex obtained in a previous study. We show that wavelength selectivity improves the individual addressability of the floating stimulators, thus increasing the number of devices that can be implanted in close proximity to each other. PMID:24600390

Hornets can fly at night without obvious adaptations of eyes and ocelli.

PubMed

Kelber, Almut; Jonsson, Fredrik; Wallén, Rita; Warrant, Eric; Kornfeldt, Torill; Baird, Emily

2011-01-01

Hornets, the largest social wasps, have a reputation of being facultatively nocturnal. Here we confirm flight activity of hornet workers in dim twilight. We studied the eyes and ocelli of European hornets (Vespa crabro) and common wasps (Vespula vulgaris) with the goal to find the optical and anatomical adaptations that enable them to fly in dim light. Adaptations described for obligately nocturnal hymenoptera such as the bees Xylocopa tranquebarica and Megalopta genalis and the wasp Apoica pallens include large ocelli and compound eyes with wide rhabdoms and large facet lenses. Interestingly, we did not find any such adaptations in hornet eyes or ocelli. On the contrary, their eyes are even less sensitive than those of the obligately diurnal common wasps. Therefore we conclude that hornets, like several facultatively nocturnal bee species such as Apis mellifera adansonii, A. dorsata and X. tenuiscapa are capable of seeing in dim light simply due to the large body and thus eye size. We propose that neural pooling strategies and behavioural adaptations precede anatomical adaptations in the eyes and ocelli when insects with apposition compound eyes turn to dim light activity.

Terpenoids from Curcuma wenyujin increased glucose consumption on HepG2 cells.

PubMed

Zhou, Chang-Xin; Zhang, Li-Sha; Chen, Fei-Fei; Wu, Hao-Shu; Mo, Jian-Xia; Gan, Li-She

2017-09-01

Thirty four terpenoids, including two new cadinane-type sesquiterpenoids containing conjugated aromatic-ketone moieties, curcujinone A (1) and curcujinone B (2), were isolated from 95% ethanol extract of the root tubers of Curcuma wenyujin. Their structures were determined by spectroscopic methods, especially 2D NMR and HRMS techniques. The relative and absolute configurations of 1 and 2 were identified by quantum chemical DFT and TDDFT calculations of the 13 C NMR chemical shifts, ECD spectra, and specific optical rotations. All compounds and extracts were evaluated for their anti-diabetic activities with a glucose consumption model on HepG2 Cells. The petroleum fraction CWP (10μg/mL) and compounds curcumenol (4), 7α,11α-epoxy-5β-hydroxy-9-guaiaen-8-one (5), curdione (17), (1S, 4S, 5S 10S)-germacrone (18), zederone (20), a mixture of curcumanolide A (25) and curcumanolide B (26), gajutsulactone B (27), and wenyujinin C (30) showed promising activities with over 45% increasing of glucose consumption at 10μM. Copyright © 2017. Published by Elsevier B.V.

First-principles investigation for some physical properties of some fluoroperovskites compounds ABF3 (A = K, Na; B = Mg, Zn)

NASA Astrophysics Data System (ADS)

Bakri, Badis; Driss, Zied; Berri, Saadi; Khenata, Rabah

2017-12-01

In this work, the structural, electronic and optical properties of fluoroperovskite ABF3 (A = K, Na; B = Mg, Zn) were studied using two different approaches: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave scheme in the frame of generalized gradient approximation features such as the lattice constant, bulk modulus and its pressure derivative are reported. The ground state properties of these compounds such as the equilibrium lattice constant and the bulk modulus are in good agreement with the experimental results. The first principles calculations were performed to study the electronic structures of ABF3(A = K, Na; B = Mg, Zn) compounds and the results indicated that these four compounds are indirect band gap insulators. The optical properties are analysed and the source of some peaks in the spectra is discussed. Besides, the dielectric function, refractive index and extinction coefficient for radiation up to 25 eV have also been reported and discussed.

Speckle noise attenuation in optical coherence tomography by compounding images acquired at different positions of the sample

NASA Astrophysics Data System (ADS)

Popescu, Dan P.; Hewko, Mark D.; Sowa, Michael G.

2007-01-01

This study demonstrates a simple method for attenuating the speckle noise generated by coherent multiple-scattered photons in optical-coherence tomography images. The method could be included among the space-diversity techniques used for speckle reduction. It relies on displacing the sample along a weakly focused beam in the sample arm of the interferometer, acquiring a coherent image for each sample position and adding the individual images to form a compounded image. It is proven that the compounded image displays a reduction in the speckle noise generated by multiple scattered photons and an enhancement in the intensity signal caused by single-backscattered photons. To evaluate its potential biomedical applications, the method is used to investigate in vitro a caries lesion affecting the enamel layer of a wisdom tooth. Because of the uncorrelated nature of the speckle noise the compounded image provides a better mapping of the lesion compared to a single (coherent) image.

Isolation and characterization of nanosheets containing few layers of the Aurivillius family of oxides and metal-organic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreedhara, M.B.; Prasad, B.E.; Moirangthem, Monali

2015-04-15

Nanosheets containing few-layers of ferroelectric Aurivillius family of oxides, Bi{sub 2}A{sub n−1}B{sub n}O{sub 3n+3} (where A=Bi{sup 3+}, Ba{sup 2+} etc. and B=Ti{sup 4+}, Fe{sup 3+} etc.) with n=3, 4, 5, 6 and 7 have been prepared by reaction with n-butyllithium, followed by exfoliation in water. The few-layer samples have been characterized by Tyndall cones, atomic force microscopy, optical spectroscopy and other techniques. The few-layer species have a thickness corresponding to a fraction of the c-parameter along which axis the perovskite layers are stacked. Magnetization measurements have been carried out on the few-layer samples containing iron. Few-layer species of a fewmore » layered metal-organic compounds have been obtained by ultrasonication and characterized by Tyndall cones, atomic force microscopy, optical spectroscopy and magnetic measurements. Significant changes in the optical spectra and magnetic properties are found in the few-layer species compared to the bulk samples. Few-layer species of the Aurivillius family of oxides may find uses as thin layer dielectrics in photovoltaics and other applications. - Graphical abstract: Exfoliation of the layered Aurivillius oxides into few-layer nanosheets by chemical Li intercalation using n-BuLi followed by reaction in water. Exfoliation of the layered metal-organic compounds into few-layer nanosheets by ultrasonication. - Highlights: • Few-layer nanosheets of Aurivillius family of oxides with perovskite layers have been generated by lithium intercalation. • Few-layer nanosheets of few layered metal-organic compounds have been generated by ultrasonication. • Few-layer nanosheets of the Aurivillius oxides have been characterized by AFM, TEM and optical spectroscopy. • Aurivillius oxides containing Fe show layer dependent magnetic properties. • Exfoliated few-layer metal-organic compounds show changes in spectroscopic and magnetic properties compared with bulk materials.« less

Stroboscopic Imaging Interferometer for MEMS Performance Measurement

DTIC Science & Technology

2007-07-15

Optical Iocusing L.aser Fiber Optics I) c 0 Mim er Collimator - C d Microcope lcam. indo Cold Objcclive Splitte FingerCCD "Mount irnro MEMS PicL zStack...Electronics and Photonics Laboratory: Microelectronics, VLSI reliability, failure analysis, solid-state device physics, compound semiconductors

Study of Third-Order Optical Nonlinearities of Se-Sn (Bi,Te) Quaternary Chalcogenide Thin Films Using Ti: Sapphire Laser in Femtosecond Regime

NASA Astrophysics Data System (ADS)

Yadav, Preeti; Sharma, Ambika

2017-01-01

The objective of the present research work is to study the nonlinear optical properties of quaternary Se-Sn (Bi,Te) chalcogenide thin films. A Z-scan technique utilizing 800 nm femtosecond laser source has been used for the determination of the nonlinear refractive index ( n 2), two-photon absorption coefficient ( β 2) and third-order susceptibility ( χ (3)). In the measurement of n 2, an aperture is placed in the far field before the detector (closed aperture), while for the measurement of β 2, entire transmitted light is collected by the detector without an aperture (open aperture). Self-focusing has been observed in closed aperture transmission spectra. The appearance of the peak after the valley in this spectrum reflects the positive nonlinear refractive index. The calculated value of n 2 of the studied thin films varies from 1.06 × 10-12 cm2/W to 0.88 × 10-12 cm2/W. The compound-dependent behavior of n 2 is explained in this paper. We have also compared the experimental values of n 2 with the theoretically determined values, other compounds of chalcogenide glass and pure silica. The n 2 of the investigated thin films is found to be 3200 times higher than pure silica. The results of the open aperture Z-scan revealed that the value of β 2 of the studied compound is in the order of 10-8 cm/W. The behavior of two-photon absorption is described by means of the optical band gap ( E g) of the studied compound. The variation in the figure-of-merit from 0.32 to 1.4 with varying Sn content is also reported in this paper. The higher value of nonlinearity makes this material advantageous for optical fibers, waveguides and optical limiting devices.

Structural, thermal and optical characterization of a Schiff base as a new organic material for nonlinear optical crystals and films with reversible noncentrosymmetry.

PubMed

Rodríguez, Mario; Ramos-Ortíz, Gabriel; Maldonado, José Luis; Herrera-Ambriz, Víctor M; Domínguez, Oscar; Santillan, Rosa; Farfán, Norberto; Nakatani, Keitaro

2011-09-01

Macroscopic single crystals of (E)-5-(diethylamino)-2-((3,5-dinitrophenylimino)methyl)phenol (DNP) were obtained from slow cooling of chloroform or dichlorometane saturated solutions at controlled temperature. X-ray diffraction analysis showed that this compound crystallizes in a noncentrosymmetric space group (P2(1)2(1)2(1)). Thermal analysis was performed and indicated that the crystals are stable until 260 °C. Second-order nonlinear optical properties of DNP were experimentally investigated in solution through EFISH technique and in solid state through the Kurtz-Perry powder technique. Crystals of compound DNP exhibited a second-harmonic signals 39 times larger than of the technologically useful potassium dihydrogenphosphate (KDP) under excitation at infrared wavelengths. In addition, the second-order nonlinear optical properties of DNP were also studied at visible wavelengths through the photorefractive effect and applied to demonstrate dynamic holographic reconstruction. Copyright © 2011 Elsevier B.V. All rights reserved.

The Relationship Between Dissolved Organic Matter Composition and Organic Matter Optical Properties in Freshwaters

NASA Astrophysics Data System (ADS)

Aiken, G.; Spencer, R. G.; Butler, K.

2010-12-01

Dissolved organic matter (DOM) chemistry and flux are potentially useful, albeit, underutilized, indicators of watershed characteristics, climate influences on watershed hydrology and soils, and changes associated with resource management. Source materials, watershed geochemistry, oxidative processes and hydrology exert strong influences on the nature and reactivity of DOM in aquatic systems. The molecules that comprise DOM, in turn, control a number of environmental processes important for ecosystem function including light penetration and photochemistry, microbial activity, mineral dissolution/precipitation, and the transport and reactivity of hydrophobic compounds and metals (e.g. Hg). In particular, aromatic molecules derived from higher plants exert strong controls on aquatic photochemistry, and on the transport and biogeochemistry of metals. Assessment of DOM composition and transport, therefore, can provide a basis for understanding watershed processes and biogeochemistry of rivers and streams. Here we present results of multi-year studies designed to assess the seasonal and spatial variability of DOM quantity and quality for 57 North American Rivers. DOM concentrations and composition, based on DOM fractionation on XAD resins, ultraviolet (UV)/visible absorption and fluorescence spectroscopic analyses, and specific compound analyses, varied greatly both between sites and seasonally within a given site. DOM in these rivers exhibited a wide range of concentration (<80 to >4000 µM C* L-1) and specific ultra-violet absorbance at 254 nm (SUVA254) (0.6 to 5 L *mg C-1 *m-1), an optical measurement that is an indicator of aromatic carbon content. In almost all systems, UV absorbance measured at specific wavelengths (e.g. 254 nm) correlated strongly with DOM and hydrophobic organic acid (HPOA) content (aquatic humic substances). The relationships between dissolved organic carbon (DOC) concentration and absorbance for the range of systems were quite variable due to variation in the fraction of non-chromophoric DOM. However, the relationship between HPOA content and UV absorbance was stronger and more consistent because the HPOA fraction contains a greater percentage of UV absorbing compounds than other fractions of the DOM. These results demonstrate that optical properties, such as UV absorbance, are excellent proxies for DOC and HPOA concentrations within a given system. For a limited set of samples, we observed that optical measurements were strongly correlated with lignin phenols, a biomarker indicative of higher plant sources of DOM, and with Hg, which interacts strongly with DOM. Optical measurements are relatively inexpensive to obtain, provide critical information related to DOM composition and reactivity, and can be measured in situ. When combined with discharge data, optical measurements allow estimation of both DOM flux and reactivity in streams and rivers. The link between the nature and reactivity of DOM and its optical properties can be exploited to provide powerful monitoring tools to assess the impacts of climate change and management practices on overall water quality, on DOM transport and transformation, and on the transport of other chemical constituents of interest.

In vivo imaging of zebrafish digestive organ function using multiple quenched fluorescent reporters

PubMed Central

Hama, Kotaro; Provost, Elayne; Baranowski, Timothy C.; Rubinstein, Amy L.; Anderson, Jennifer L.; Leach, Steven D.; Farber, Steven A.

2009-01-01

Optical clarity of larvae makes the zebrafish ideal for real-time analyses of vertebrate organ function through the use of fluorescent reporters of enzymatic activities. A key function of digestive organs is to couple the generation of enzymes with mechanical processes that enable nutrient availability and absorption. However, it has been extremely difficult, and in many cases not possible, to directly observe digestive processes in a live vertebrate. Here we describe a new method to visualize intestinal protein and lipid processing simultaneously in live zebrafish larvae using a quenched fluorescent protein (EnzChek) and phospholipid (PED6). By employing these reagents, we found that wild-type larvae exhibit significant variation in intestinal phospholipase and protease activities within a group but display a strong correlation between the activities within individuals. Furthermore, we found that pancreas function is essential for larval digestive protease activity but not for larval intestinal phospholipase activity. Although fat-free (ffr) mutant larvae were previously described to exhibit impaired lipid processes, we found they also had significantly reduced protease activity. Finally, we selected and evaluated compounds that were previously suggested to have altered phospholipase activity and are known or suspected to have inflammatory effects in the intestinal tract including nonsteroidal anti-inflammatory drugs, and identified a compound that significantly increases intestinal phospholipid processing. Thus the multiple fluorescent reporter-based methodology facilitates the rapid analysis of digestive organ function in live zebrafish larvae. PMID:19056761

Proceedings of the OGAMM Meeting (3rd) Held in Keswick-On-Derwentwater, Cumbria, England on September 4-7, 1990

DTIC Science & Technology

1990-09-07

and frequency shifting, (4) Investigation of device processes in optical waveguides and fibers; optical bistability for optical memory operation, and...all relative to urea, unless stated otherwise. Compound SHG Colour (1) 0.60 Yellow (2) 0.70 Dark green (3) 0.01 Pale yellow (4) 0.22 Yellow (5) 0.73...LOUGHBOROUGH T. KING UNIVERSITY OF TECHNOLOGY H. Coles N. PHILIPS I - LASER ENCHANCED 1 - OPTICAL & THERMAL DENSIFICATION PROPERTIES 2 - SOLID STATE

Spin-polarized exciton quantum beating in hybrid organic-inorganic perovskites

NASA Astrophysics Data System (ADS)

Odenthal, Patrick; Talmadge, William; Gundlach, Nathan; Wang, Ruizhi; Zhang, Chuang; Sun, Dali; Yu, Zhi-Gang; Valy Vardeny, Z.; Li, Yan S.

2017-09-01

Hybrid organic-inorganic perovskites have emerged as a new class of semiconductors that exhibit excellent performance as active layers in photovoltaic solar cells. These compounds are also highly promising materials for the field of spintronics due to their large and tunable spin-orbit coupling, spin-dependent optical selection rules, and their predicted electrically tunable Rashba spin splitting. Here we demonstrate the optical orientation of excitons and optical detection of spin-polarized exciton quantum beating in polycrystalline films of the hybrid perovskite CH3NH3PbClxI3-x. Time-resolved Faraday rotation measurement in zero magnetic field reveals unexpectedly long spin lifetimes exceeding 1 ns at 4 K, despite the large spin-orbit couplings of the heavy lead and iodine atoms. The quantum beating of exciton states in transverse magnetic fields shows two distinct frequencies, corresponding to two g-factors of 2.63 and -0.33, which we assign to electrons and holes, respectively. These results provide a basic picture of the exciton states in hybrid perovskites, and suggest they hold potential for spintronic applications.

Cytotoxic prenylated flavones from the stem and root bark of Daphne giraldii.

PubMed

Sun, Qian; Wang, Di; Li, Fei-Fei; Yao, Guo-Dong; Li, Xue; Li, Ling-Zhi; Huang, Xiao-Xiao; Song, Shao-Jiang

2016-08-15

Three new prenylated flavones (1-3), along with three known analogues (4-6), were isolated from the stem and root bark of Daphne giraldii. Their structures were determined by comprehensive NMR and HRESIMS spectroscopic data analyses. The absolute configurations of compounds 2 and 3 were assigned by optical rotation comparison, CD and [Rh2(OCOCF3)4]-induced CD spectral methods. The in vitro cytotoxicity experiments carried out involving five cancer cell lines (U251, A549, HepG2, MCF-7 and Bcap37) showed that 2 markedly inhibited the proliferation of all tested cells with IC50 values ranging from 4.26 to 20.82μM. The preliminary structure-activity relationships of these flavones are discussed. In addition, compound 2 was found to effectively induce apoptosis in HepG2 cells according to a flow cytometry analysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Dams impact carbon dynamics in U.S. rivers

NASA Astrophysics Data System (ADS)

Bhattacharya, Atreyee

2012-09-01

Dissolved organic carbon (DOC)—which leaches into freshwater systems from plants, soils, and sediments, and from other detritus present in the water itself—is the major food supplement for microorganisms and plays an important role in several environmental processes and in the global carbon cycle. In some aquatic systems such as estuaries, the optically measurable colored component of dissolved organic matter (CDOM) is often proportional to the concentration of DOC. CDOM forms when light-absorbing compounds are released into the water by decaying organic material and through photochemical degradation of certain organic compounds. Hence, CDOM reflects not just the environment and ecosystem, which is the source of the detritus, but also the processes that deliver the organic matter into aquatic systems. Human activities, such as logging, agriculture, and waste water treatment, also affect CDOM levels in aquatic systems. It is relatively easy and inexpensive to measure the CDOM content in small volumes of water.

Ground and excited state dipole moments of some flavones using solvatochromic methods: An experimental and theoretical study

NASA Astrophysics Data System (ADS)

Kumar, Sanjay; Kapoor, Vinita; Bansal, Ritu; Tandon, H. C.

2018-03-01

The absorption and fluorescence characteristics of biologically active flavone derivatives 6-Hydroxy-7,3‧,4‧,5‧-tetramethoxyflavone (6HTMF) and 7-Hydroxy-6,3‧,4‧,5‧-tetramethoxyflavone (7HTMF) are studied at room temperature (298 K) in solvents of different polarities. Excited state dipole moments of these compounds have been determined using the solvatochromic shift method based on the microscopic solvent polarity parameter ETN . Dipole moments in excited state were found to be higher than those in the ground state in both the molecules. A reasonable agreement has been observed between experimental and theoretically calculated dipole moments (using AM1 method). Slightly large value of ground and excited state dipole moments of 7HTMF than 6HTMF are in conformity with predicted electrostatic potential maps. Our results would be helpful in understanding use of these compounds as tunable dye lasers, optical brighteners and biosensors.

Synthesis of the spiroacetal-containing anti-Helicobacter pylori agents CJ-12,954 and CJ-13,014.

PubMed

Brimble, Margaret A; Bryant, Christina J

2006-11-21

The first synthesis of the spiroacetal-containing anti-Helicobacter pylori agents ent-CJ-12,954 and ent-CJ-13,014 is reported based on the union of a heterocycle-activated spiroacetal-containing sulfone fragment with a phthalide-containing aldehyde fragment; comparison of the 1H and 13C NMR data, optical rotations and HPLC retention times of the synthetic compounds (3S,2"S,5"S,7"S)-(1a) and (3S,2"S,5"R,7"S)-(2a) and the (3R)-diastereomers (3R,2"S,5"S,7"S)-(1b) and (3R,2"S,5"R,7"S)- (2b) with the naturally occurring compounds established that the synthetic isomers (1a) and (2a) were in fact enantiomeric to the natural products CJ-12,954 and CJ-13,014.

Viking Helmet Corroles: Activating Inert Oxidometal Corroles.

PubMed

Schweyen, Peter; Brandhorst, Kai; Hoffmann, Martin; Wolfram, Benedikt; Zaretzke, Marc-Kevin; Bröring, Martin

2017-10-09

Chemically inert oxidometal(V) corrols of molybdenum and rhenium undergo clean ligand-exchange reactions upon the action of SiCl 4 . The resulting dichlorido complexes show trigonal prismatic coordination of the metal ion with the chlorine atoms residing in a cis configuration, and were studied by optical and resonance spectroscopy as well as DFT calculations. In situ reactivity studies with carbon nucleophiles indicate high reactivity for chlorine replacement. Treatment with sodium cyclopentadienide paves the way to robust molybdenum corrolocene half-sandwich complexes. These organometallic compounds are the first corrole species that stabilize an air-stable and diamagnetic low spin d 2 -Mo IV center. Structural, spectroelectrochemical, and chemical investigations prove a reversible Mo IV /Mo V redox couple close to the Fc/Fc + potential for these systems. The high stability of the compounds in both redox states calls for future applications in catalysis and as redox switch. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photochemical and Photophysical Properties of Phthalocyanines Modified with Optically Active Alcohols.

PubMed

Ramos, Aline A; Nascimento, Francisco B; de Souza, Thaiza F M; Omori, Alvaro T; Manieri, Tânia M; Cerchiaro, Giselle; Ribeiro, Anderson O

2015-07-24

Three phthalocyanine derivatives were synthesized and characterized: one modified with a racemic mixture of 1-(4-bromophenyl)ethanol and two other macrocycles modified with each one of the enantioenriched isomers (R)-1-(4-bromophenyl)ethanol and (S)-1-(4-bromophenyl)ethanol. The compounds were characterized by 1H-NMR spectroscopy, mass spectrometry, UV-Vis absorption, and excitation and emission spectra. Additionally, partition coefficient values and the quantum yield of the generation of oxygen reactive species were determined. Interestingly, the phthalocyanine containing a (R)-1-(4-bromophenyl)ethoxy moiety showed higher quantum yield of reactive oxygen species generation than other compounds under the same conditions. In addition, the obtained fluorescence microscopy and cell viability results have shown that these phthalocyanines have different interactions with mammary MCF-7 cells. Therefore, our results indicate that the photochemical and biological properties of phthalocyanines with chiral ligands should be evaluated separately for each enantiomeric species.

Rare excitatory amino acid from flowers of zonal geranium responsible for paralyzing the Japanese beetle.

PubMed

Ranger, Christopher M; Winter, Rudolph E; Singh, Ajay P; Reding, Michael E; Frantz, Jonathan M; Locke, James C; Krause, Charles R

2011-01-25

The Japanese beetle (JB), Popillia japonica, exhibits rapid paralysis after consuming flower petals of zonal geranium, Pelargonium x hortorum. Activity-guided fractionations were conducted with polar flower petal extracts from P. x hortorum cv. Nittany Lion Red, which led to the isolation of a paralysis-inducing compound. High-resolution-MS and NMR ((1)H, (13)C, COSY, heteronuclear sequential quantum correlation, heteronuclear multiple bond correlation) analysis identified the paralytic compound as quisqualic acid (C(5)H(7)N(3)O(5)), a known but rare agonist of excitatory amino acid receptors. Optical rotation measurements and chiral HPLC analysis determined an L-configuration. Geranium-derived and synthetic L-quisqualic acid demonstrated the same positive paralytic dose-response. Isolation of a neurotoxic, excitatory amino acid from zonal geranium establishes the phytochemical basis for induced paralysis of the JB, which had remained uncharacterized since the phenomenon was first described in 1920.

Low and High Molecular Mass Dithienopyrrole-Naphthalene Bisimide Donor-Acceptor Compounds: Synthesis, Electrochemical and Spectroelectrochemical Behaviour.

PubMed

Rybakiewicz, Renata; Glowacki, Eric D; Skorka, Lukasz; Pluczyk, Sandra; Zassowski, Pawel; Apaydin, Dogukan Hazar; Lapkowski, Mieczyslaw; Zagorska, Malgorzata; Pron, Adam

2017-02-24

Two low molecular weight electroactive donor-acceptor-donor (DAD)-type molecules are reported, namely naphthalene bisimide (NBI) symmetrically core-functionalized with dithienopyrrole (NBI-(DTP) 2 ) and an asymmetric core-functionalized naphthalene bisimide with dithienopyrrole (DTP) substituent on one side and 2-ethylhexylamine on the other side (NBI-DTP-NHEtHex). Both compounds are characterized by low optical bandgaps (1.52 and 1.65 eV, respectively). NBI-(DTP) 2 undergoes oxidative electropolymerization giving the electroactive polymer of ambipolar character. Its two-step reversible reduction and oxidation is corroborated by complementary EPR and UV/Vis-NIR spectroelectrochemical investigations. The polymer turned out to be electrochemically active not only in aprotic solvents but also in aqueous electrolytes, showing a distinct photocathodic current attributed to proton reduction. Additionally, poly(NBI-(DTP) 2 ) was successfully tested as a photodiode material. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent

NASA Astrophysics Data System (ADS)

Murthy, P. Krishna; Sheena Mary, Y.; Shyma Mary, Y.; Panicker, C. Yohannan; Suneetha, V.; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Suchetan, P. A.

2017-04-01

4-benzyl-5-oxomorpholine-3-carbamide has been synthesized; single crystals were grown by slow evaporation solution growth technique at room temperature and characterized by single crystal X-ray diffraction, FT-IR, FT-Raman and 1H-NMR. The compound crystallizes in the monoclinic space group P21/n. The molecular geometry of the compound was optimized by using Density Functional Theory (DFT/B3LYP) method with 6-311++G(d,p) basis set in the ground state and geometric parameters are in agreement with the X-ray analysis results of the structure. The experimental vibrational spectra were compared with the calculated spectra and each vibrational wave number was assigned on the basis of potential energy distribution (PED). The electronic and charge transfer properties have been explained on the basis of highest occupied molecular orbital's (HOMOs) and lowest unoccupied molecular orbital's (LUMOs). Besides molecular electrostatic potential (MEP), frontier molecular orbital's (FMOs), some global reactivity descriptors, thermodynamic properties, non-linear optical (NLO) behavior and Mullikan charge analysis of the title compound were computed with the same method in gas phase, theoretically. Potential reactive sites of the title compound have been identified by average local ionization energy and Fukui functions, both mapped to the electron density surface. Bond dissociation energies for all single acyclic bonds have been calculated in order to investigate autoxidation and degradation properties of the title compound. Atoms with pronounced interactions with water molecules have been detected by calculations of radial distribution functions after molecular dynamics simulations. The experimental results are compared with the theoretical calculations using DFT methods for the fortification of the paper. Further the docking studies revealed that the title compound as a docked ligand forms a stable complex with pyrrole inhibitor with a binding affinity value of -7.5 kcal/mol. This suggests that the title compound might exhibit inhibitory activity against pyrrole inhibitor. To confirm the potential practical applicability of the title compound antimicrobial activity was tested against gram negative and gram positive bacteria.

System and plastic scintillator for discrimination of thermal neutron, fast neutron, and gamma radiation

DOEpatents

Zaitseva, Natalia P.; Carman, M. Leslie; Faust, Michelle A.; Glenn, Andrew M.; Martinez, H. Paul; Pawelczak, Iwona A.; Payne, Stephen A.

2017-05-16

A scintillator material according to one embodiment includes a polymer matrix; a primary dye in the polymer matrix, the primary dye being a fluorescent dye, the primary dye being present in an amount of 3 wt % or more; and at least one component in the polymer matrix, the component being selected from a group consisting of B, Li, Gd, a B-containing compound, a Li-containing compound and a Gd-containing compound, wherein the scintillator material exhibits an optical response signature for thermal neutrons that is different than an optical response signature for fast neutrons and gamma rays. A system according to one embodiment includes a scintillator material as disclosed herein and a photodetector for detecting the response of the material to fast neutron, thermal neutron and gamma ray irradiation.

Biomolecular Imaging with Coherent Nonlinear Vibrational Microscopy

PubMed Central

Chung, Chao-Yu; Boik, John; Potma, Eric O.

2014-01-01

Optical imaging with spectroscopic vibrational contrast is a label-free solution for visualizing, identifying, and quantifying a wide range of biomolecular compounds in biological materials. Both linear and nonlinear vibrational microscopy techniques derive their imaging contrast from infrared active or Raman allowed molecular transitions, which provide a rich palette for interrogating chemical and structural details of the sample. Yet nonlinear optical methods, which include both second-order sum-frequency generation (SFG) and third-order coherent Raman scattering (CRS) techniques, offer several improved imaging capabilities over their linear precursors. Nonlinear vibrational microscopy features unprecedented vibrational imaging speeds, provides strategies for higher spatial resolution, and gives access to additional molecular parameters. These advances have turned vibrational microscopy into a premier tool for chemically dissecting live cells and tissues. This review discusses the molecular contrast of SFG and CRS microscopy and highlights several of the advanced imaging capabilities that have impacted biological and biomedical research. PMID:23245525

Effect of volatile compounds on excimer laser power delivery.

PubMed

Van Horn, Stewart D; Hovanesian, John A; Maloney, Robert K

2002-01-01

To determine whether vapors from perfume, hairspray, oil-based paint, or water-based paint affect excimer laser beam power delivery at the corneal surface. We measured the power delivery of an Apex Plus laser before, during, and after exposure to vapors from the following volatile compounds: three types of perfume, hair spray, an oil-based paint, and a water-based paint. A digital calorimeter was used to measure the steady-state beam power of the laser during laser discharge at the corneal plane. Multiple trials were run with each compound, and the change in laser energy over time was examined to determine if any of the compounds caused degradation of the laser optics. The presence of a volatile compound in the room caused no change in mean laser energy in comparison to before and after the compound was present. However, perfumes caused a progressive decline in laser beam power throughout the trials. Controlling for this progressive decline, there was no significant difference from perfume to perfume. None of the compounds tested caused a decline in laser beam power while present in the room. However, the presence of any perfume caused a deterioration in beam power over time, suggesting a degradation of the laser optics for all perfumes. Laser centers should consider advising their patients and staff to not wear perfumes in the laser suite.

Caged compounds for multichromic optical interrogation of neural systems

PubMed Central

Amatrudo, Joseph M.; Olson, Jeremy P.; Agarwal, Hitesh K.; Ellis-Davies, Graham C.R.

2014-01-01

Caged compounds have widely used by neurophysiologists to study many aspects of cellular signaling in glia and neurons. Biologically inert before irradiation, they can be loaded into cells via patch pipette or topically applied in situ to a defined concentration, photolysis releases the caged compound in a very rapid and spatially defined way. Since caged compounds are exogenous optical probes, they include not only natural products such neurotransmitters, calcium and IP3, but non-natural products such as fluorophores, drugs and antibodies. In this Technical Spotlight we provide a short introduction to the uncaging technique by discussing the nitroaromatic caging chromophores most widely used in such experiments (e.g. CNB1, DMNB, MNI and CDNI). We show that recently developed caging chromophores (RuBi and DEAC450) that are photolyzed with blue light (ca. 430–480 nm range) can be combined with traditional nitroaromatic caged compounds to enable two-color optical probing of neuronal function. For example, one-photon uncaging of either RuBi-GABA or DEAC450-GABA with a 473-nm laser is facile, and can block non-linear currents (dendritic spikes or action potentials) evoked by two-photon uncaging of CDNI-Glu at 720 nm. We also show that two-photon uncaging of DEAC450-Glu and CDNI-GABA at 900 and 720 nm, respectively, can be used to fire and block action potentials. Our experiments illustrate that recently developed chromophores have taken uncaging out of the “monochrome era”, in which it has existed since 1978, so as to enable multichromic interrogation of neuronal function with single synapse precision. PMID:25471355

Arthropod eye-inspired digital camera with unique imaging characteristics

NASA Astrophysics Data System (ADS)

Xiao, Jianliang; Song, Young Min; Xie, Yizhu; Malyarchuk, Viktor; Jung, Inhwa; Choi, Ki-Joong; Liu, Zhuangjian; Park, Hyunsung; Lu, Chaofeng; Kim, Rak-Hwan; Li, Rui; Crozier, Kenneth B.; Huang, Yonggang; Rogers, John A.

2014-06-01

In nature, arthropods have a remarkably sophisticated class of imaging systems, with a hemispherical geometry, a wideangle field of view, low aberrations, high acuity to motion and an infinite depth of field. There are great interests in building systems with similar geometries and properties due to numerous potential applications. However, the established semiconductor sensor technologies and optics are essentially planar, which experience great challenges in building such systems with hemispherical, compound apposition layouts. With the recent advancement of stretchable optoelectronics, we have successfully developed strategies to build a fully functional artificial apposition compound eye camera by combining optics, materials and mechanics principles. The strategies start with fabricating stretchable arrays of thin silicon photodetectors and elastomeric optical elements in planar geometries, which are then precisely aligned and integrated, and elastically transformed to hemispherical shapes. This imaging device demonstrates nearly full hemispherical shape (about 160 degrees), with densely packed artificial ommatidia. The number of ommatidia (180) is comparable to those of the eyes of fire ants and bark beetles. We have illustrated key features of operation of compound eyes through experimental imaging results and quantitative ray-tracing-based simulations. The general strategies shown in this development could be applicable to other compound eye devices, such as those inspired by moths and lacewings (refracting superposition eyes), lobster and shrimp (reflecting superposition eyes), and houseflies (neural superposition eyes).

Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O

NASA Astrophysics Data System (ADS)

BelhajSalah, S.; Abdelbaky, Mohammed S. M.; García-Granda, Santiago; Essalah, K.; Ben Nasr, C.; Mrad, M. L.

2018-01-01

A novel hybrid compound, bis(4-methylanilinium)hexachlorostannate(IV) monohydrate, formulated as (C7H10N)2[SnCl6]·H2O, has been prepared and characterized by powder and single crystal X-ray diffraction (XRD), Hirshfeld surface analysis, infrared spectroscopy (IR), optical study, differential thermal analysis(DTA) and X-ray photoelectron spectroscopy analysis (XPS). The title compound crystallizes in the monoclinic space group P21/c with a = 13.093(1)Å, b = 7.093(6)Å, c = 24.152(2)Å, β = 98.536(4)⁰ and V = 2218.4(4) Å3. Their crystal structure exhibits alternating inorganic layers parallel to the (ab) plane at z = n/2. The different entities, [SnCl6]2-, organic cations and water molecules, are connected via hydrogen bonds to form a three-dimensional network. The powder XRD data confirms the phase purity of the crystalline sample. The intermolecular interactions were investigated by Hirshfeld surfaces. The vibrational absorption bands were identified by IR spectroscopy and have been discussed. The optical properties of the crystal were studied by using optical absorption, UV-visible absorption and photoluminescence spectroscopy studies. The compound was also characterized by DTA to determine its thermal behavior with respect to the temperature. Finally, XPS technique is reported for analyzing the surface chemistry of this compound.

Crustacean Larvae-Vision in the Plankton.

PubMed

Cronin, Thomas W; Bok, Michael J; Lin, Chan

2017-11-01

We review the visual systems of crustacean larvae, concentrating on the compound eyes of decapod and stomatopod larvae as well as the functional and behavioral aspects of their vision. Larval compound eyes of these macrurans are all built on fundamentally the same optical plan, the transparent apposition eye, which is eminently suitable for modification into the abundantly diverse optical systems of the adults. Many of these eyes contain a layer of reflective structures overlying the retina that produces a counterilluminating eyeshine, so they are unique in being camouflaged both by their transparency and by their reflection of light spectrally similar to background light to conceal the opaque retina. Besides the pair of compound eyes, at least some crustacean larvae have a non-imaging photoreceptor system based on a naupliar eye and possibly other frontal eyes. Larval compound-eye photoreceptors send axons to a large and well-developed optic lobe consisting of a series of neuropils that are similar to those of adult crustaceans and insects, implying sophisticated analysis of visual stimuli. The visual system fosters a number of advanced and flexible behaviors that permit crustacean larvae to survive extended periods in the plankton and allows them to reach acceptable adult habitats, within which to metamorphose. © The Author 2017. Published by Oxford University Press on behalf of the Society for Integrative and Comparative Biology. All rights reserved. For permissions please email: journals.permissions@oup.com.

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

PubMed

Cennamo, Nunzio; D'Agostino, Girolamo; Porto, Gianni; Biasiolo, Adriano; Perri, Chiara; Arcadio, Francesco; Zeni, Luigi

2018-06-05

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⁻C 11 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.

Synthesis, characterization and calculated non-linear optical properties of two new chalcones

NASA Astrophysics Data System (ADS)

Singh, Ashok Kumar; Saxena, Gunjan; Prasad, Rajendra; Kumar, Abhinav

2012-06-01

Two new chalcones viz 3-(4-(benzyloxy)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (1) and 3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (2) have been prepared and characterized by micro analyses, 1H NMR, IR, UV-Vis spectroscopy and single crystal X-ray. The first static hyperpolarizability (β) for both the compounds has been investigated by density functional theory (DFT). Also, the solvent-induced effects on the non-linear optical properties (NLO) were studied by using self-consistent reaction field (SCRF) method. As the solvent polarity increases, the β value increases monotonically. The electronic absorption bands of both 1 and 2 have been assigned by time dependent density functional theory (TD-DFT). Both the compounds displayed better non-linear optical (NLO) responses than the standard p-nitroaniline (pNA).

Incorporating Basic Optical Microscopy in the Instrumental Analysis Laboratory

ERIC Educational Resources Information Center

Flowers, Paul A.

2011-01-01

A simple and versatile approach to incorporating basic optical microscopy in the undergraduate instrumental analysis laboratory is described. Attaching a miniature CCD spectrometer to the video port of a standard compound microscope yields a visible microspectrophotometer suitable for student investigations of fundamental spectrometry concepts,…

Nanoscale assembly of silicon-like [Al(As1-xNx)]ySi5-2y alloys: Fundamental theoretical and experimental studies of structural and optical properties

NASA Astrophysics Data System (ADS)

Jiang, L.; Sims, P. E.; Grzybowski, G.; Beeler, R. T.; Chizmeshya, A. V. G.; Smith, D. J.; Kouvetakis, J.; Menéndez, J.

2013-07-01

Ab initio theoretical simulations of Al(As1-xNx)Si3 alloys, a new class of optoelectronic materials, confirm that these compounds are likely to be disordered via a mechanism that preserves the integrity of the constituent III-V-Si3 tetrahedra but randomizes their orientation in the average diamond lattice of the compound. This type of disorder is consistent with experimental structural data and with the proposed growth mechanism for such alloys, according to which “III:V(SiH3)3” intermediate complexes are formed in the gas phase from reactions between group-III atomic beams and V(SiH3)3 molecules, delivering the entire III-V-Si3 tetrahedra to the growing film. Experimental optical studies of these Al(As1-xNx)Si3 alloys as well as more general [Al(As1-xNx)]ySi5-2y compounds grown on Si substrates were carried out using spectroscopic ellipsometry. The resulting dielectric functions are found to be similar to broadened versions of their counterparts in pure Si. This broadening may have important practical applications, particularly in photovoltaics, because it dramatically enhances the optical absorption of Si in the visible range of the electromagnetic spectrum. A critical point analysis reveals the existence of direct optical transitions at energies as low as 2.5 eV, well below the lowest direct absorption edge of Si at 3.3 eV. Such transitions are predicted theoretically for perfectly ordered III-V-Si3 compounds, and the experimental results suggest that they are robust against tetrahedra orientational disorder.

Cheap and fast measuring roughness on big surfaces with an imprint method

NASA Astrophysics Data System (ADS)

Schopf, C.; Liebl, J.; Rascher, R.

2017-10-01

Roughness, shape and structure of a surface offer information on the state, shape and surface characteristics of a component. Particularly the roughness of the surface dictates the subsequent polishing of the optical surface. The roughness is usually measured by a white light interferometer, which is limited by the size of the components. Using a moulding method of surfaces that are difficult to reach, an imprint is taken and analysed regarding to roughness and structure. This moulding compound method is successfully used in dental technology. In optical production, the moulding compound method is advantageous in roughness determination in inaccessible spots or on large components (astrological optics). The "replica method" has been around in metal analysis and processing. Film is used in order to take an impression of a surface. Then, it is analysed for structures. In optical production, compound moulding seems advantageous in roughness determination in inaccessible spots or on large components (astrological optics). In preliminary trials, different glass samples with different roughness levels were manufactured. Imprints were taken from these samples (based on DIN 54150 "Abdruckverfahren für die Oberflächenprüfung"). The objective of these feasibility tests was to determine the limits of this method (smallest roughness determinable / highest roughness). The roughness of the imprint was compared with the roughness of the glass samples. By comparing the results, the uncertainty of the measuring method was determined. The spectrum for the trials ranged from rough grind (0.8 μm rms), over finishing grind (0.6 μm rms) to polishing (0.1 μm rms).

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

NASA Astrophysics Data System (ADS)

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.

Bioactive Constituents from an Endophytic Fungus, Penicillium polonicum NFW9, Associated with Taxus fauna.

PubMed

Fatima, Nighat; Sripisut, Tawanun; Youn, Ui J; Ahmed, Safia; Ul-Haq, Ihsan; Munoz-Acuna, Ulyana; Simmons, Charles J; Qazi, Muneer A; Jadoon, Muniba; Tan, Ghee T; de Blanco, Esperanza J C; Chang, Leng C

2017-01-01

Endophytic fungi are being recognized as vital and untapped sources of a variety of structurally novel and unique bioactive secondary metabolites in the field of natural products drug discovery. Herein, this study reports the isolation and characterization of secondary metabolites from an endophytic fungus Penicillium polonicum (NFW9) associated with Taxus fuana. The extracts of the endophytic fungus cultured on potato dextrose agar were purified using several chromatographic techniques. Biological evaluation was performed based on their abilities to inhibit tumor necrosis factor-alpha (TNF-α)-induced nuclear factor-kappa B (NF-κB) and cytotoxicity assays. Bioactivity-directed fractionation of the ethyl acetate extract of a fermentation culture of an endophytic fungus, Penicillium polonicum led to the isolation of a dimeric anthraquinone, (R)- 1,1',3,3',5,5'-hexahydroxy-7,7'-dimethyl[2,2'-bianthracene]-9,9',10,10'-tetraone (1), a steroidal furanoid (-)-wortmannolone (2), along with three other compounds (3-4). Moreover, this is the first report on the isolation of compound 1 from an endophytic fungus. All purified metabolites were characterized by NMR and MS data analyses. The stereo structure of compound 1 was determined by the measurement of specific optical rotation and CD spectrum. The relative stereochemistry of 2 was confirmed by single-crystal X-ray diffraction. Compounds 2-3 showed inhibitory activities in the TNF-α-induced NF-κB assay with IC50 values in the range of 0.47-2.11 µM. Compounds 1, 4 and 5 showed moderate inhibition against NF-κB and cancer cell lines. The endophytic fungus Penicillium polonicum of Taxus fuana is capable of producing biologically active natural compounds. Our results provide a scientific rationale for further chemical investigations into endophyte-producing natural products, drug discovery and development. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Enantioselective Synthesis of Medium-Sized Lactams via Chiral α,β-Unsaturated Acylammonium Salts.

PubMed

Kang, Guowei; Yamagami, Masaki; Vellalath, Sreekumar; Romo, Daniel

2018-04-06

Medium-sized lactams are important structural motifs found in a variety of bioactive compounds and natural products but are challenging to prepare, especially in optically active form. A Michael addition/proton transfer/lactamization organocascade process is described that delivers medium-sized lactams, including azepanones, benzazepinones, azocanones, and benzazocinones, in high enantiopurity through the intermediacy of chiral α,β-unsaturated acylammonium salts. An unexpected indoline synthesis was also uncovered, and the benzazocinone skeleton was transformed into other complex heterocyclic derivatives, including spiroglutarimides, isoquinolinones, and δ-lactones. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photophysics of covalently functionalized single wall carbon nanotubes with verteporfin

NASA Astrophysics Data System (ADS)

Staicu, Angela; Smarandache, Adriana; Pascu, Alexandru; Pascu, Mihail Lucian

2017-09-01

Covalently functionalized single wall carbon nanotubes (SWCNT) with the photosensitizer verteporfin (VP) were synthesized and studied. Photophysical properties of the obtained compounds like optical absorption, laser-induced fluorescence and generated singlet oxygen were investigated. In order to highlight the features of the conjugated compound, its photophysical characteristics were compared with those of the mixtures of the initial components. The optical absorption data evidenced a compound that combines features of the primary SWCNTs and VP. This is the also the case of the laser induced fluorescence of the synthesized product. Moreover, fluorescence quantum yield (Φf) of the compound (Φf = 2.4%) is smaller than for the mixture of SWCNT and VP in (Φf = 3.2%). The behavior is expected, because linked VP (carrying the fluorescent moiety) transfers easier a part of its excitation energy to the SWCNT in the covalent structure. Relative to the quantum yield of singlet oxygen generation (ΦΔ) by Methylene Blue, it was found that the ΦΔ for the conjugated VP-SWCNT is 51% while for the mixture ΦΔ is 23%. The results indicate covalently functionalized single walled carbon nanotubes with verteporfin as potential compounds of interest in targeted drug delivery and photodynamic therapy.

A perspective on SOA generated in aerosol water from glyoxal and methylglyoxal and its impacts on climate-relevant aerosol properties

NASA Astrophysics Data System (ADS)

Sareen, N.; McNeill, V. F.

2011-12-01

In recent years, glyoxal and methylglyoxal have emerged to be potentially important SOA precursors with significant implications for climate-related aerosol properties. Here we will discuss how the chemistry of these and similar organic compounds in aerosol water can affect the aerosol optical and cloud formation properties. Aqueous-phase SOA production from glyoxal and methylglyoxal is a potential source of strongly light-absorbing organics, or "brown carbon". We characterized the kinetics of brown carbon formation from these precursors in mixtures of ammonium sulfate and water using UV-Vis spectrophotometry. This mechanism has been incorporated into a photochemical box model with coupled gas phase-aqueous aerosol chemistry. Methylglyoxal and related compounds also may impact an aerosol's ability to act as a cloud condensation nucleus. We recently showed via pendant drop tensiometry and aerosol chamber studies that uptake of methylglyoxal from the gas phase driven by aqueous-phase oligomerization chemistry is a potentially significant, previously unidentified source of surface-active organic material in aerosols. Results from pendant drop tensiometry showed significantly depressed surface tension in methylglyoxal-ammonium sulfate solutions. We further found that ammonium sulfate particles exposed to gas-phase methylglyoxal in a 3.5 m3 aerosol reaction chamber activate into cloud droplets at sizes up to 15% lower at a given supersaturation than do pure ammonium sulfate particles. The observed enhancement exceeds that predicted based on Henry's Law and our measurements of surface tension depression in bulk solutions, suggesting that surface adsorption of methylglyoxal plays a role in determining CCN activity. Methylglyoxal and similar gas-phase surfactants may be an important and overlooked source of enhanced CCN activity in the atmosphere. To characterize the SOA products formed in these solutions, an Aerosol Chemical Ionization Mass Spectrometer (CIMS) was used. These compounds included (hemi)acetals, aldol condensation products, and oligomeric species up to 759 amu. Since these products are vulnerable to oxidants such as O3 and OH in the atmosphere, kinetic studies were conducted to study their affect upon exposure to O3 and OH. Custom-designed flow tube reactors were coupled with the Aerosol-CIMS to monitor aerosol composition, and consequently this data was used to determine reactive uptake coefficients (γO3~10-8 and γOH~ 10-6). Additionally, the lifetime of these SOA species in the atmosphere can be estimated and if these time scales are sufficiently long, they may affect aerosol optical properties. The effect of oxidation on the optical properties is also currently being tested by collecting aerosol particles before and after oxidation on a quartz window and testing changes in absorption using the UV-Vis spectrophotometer. The results of all these studies will be integrated to understand the role of methylglyoxal as a SOA precursor and the effect on various aerosol properties, and this will be used as a model system to predict the fate of similar organics in the atmosphere.

Field Demonstration/Validation of Electrolytic Barriers for Energetic Compounds at Pueblo Chemical Depot

DTIC Science & Technology

2010-01-01

measuring the intensity of fluorescence at 517 nm using an Ocean Optics USB-2000TM spectrometer and an Ocean OpticsTM custom six-around-one fiber ...Umatilla Army Depot, OR Demilitarization (washout) Basalt Deep (>50 feet) NRC (2005) Installation Action Plan for UAAP March 2001 Hawthorne

MOCVD-Grown InGaAsP Double Heterostructure Diode Lasers

DTIC Science & Technology

1993-08-01

assuming refractive index and its dispersion for InGaAsP and InGaP corresponding to the known values for AIGaAs compounds with the same bandgap [13...in the refractive index between the waveguide and cladding layers provides light confinement within the optical cavity. Separate optical and

Intraoral fiber-optic-based diagnostic for periodontal disease

NASA Astrophysics Data System (ADS)

Colston, Bill W., Jr.; Gutierrez, Dora M.; Everett, Matthew J.; Brown, Steve B.; Langry, Kevin C.; Cox, Weldon R.; Johnson, Paul W.; Roe, Jeffrey N.

2000-05-01

The purpose of this initial study was to begin development of a new, objective diagnostic instrument that will allow simultaneous quantitation of multiple proteases within a single periodontal pocket using a chemical fiber optic senor. This approach could potentially be adapted to use specific antibodies and chemiluminescence to detect and quantitate virtually any compound and compare concentrations of different compounds within the same periodontal pocket. The device could also be used to assay secretions in salivary ducts or from a variety of wounds. The applicability is, therefore, not solely limited to dentistry and the device would be important both for clinical diagnostics and as a research too.

Compound parabolic concentrator probe for efficient light collection in spectroscopy of biological tissue

NASA Astrophysics Data System (ADS)

Tanaka, Kazunori; Pacheco, Marcos T. T.; Brennan, James F., III; Itzkan, Irving; Berger, Andrew J.; Dasari, Ramachandra R.; Feld, Michael S.

1996-02-01

We describe a compound parabolic concentrator (CPC)-based probe for enhanced signal collection in the spectroscopy of biological tissues. Theoretical considerations governing signal enhancement compared with conventional collection methods are given. A ray-tracing program was used to analyze the throughput of CPC's with shape deviations and surface imperfections. A modified CPC shape with 99% throughput was discovered. A 4.4-mm-long CPC was manufactured and incorporated into an optical fiber-based near-infrared Raman spectrometer system. For human tissue samples, light collection was enhanced by a factor of 7 compared with collection with 0.29-NA optical fibers.

Synthesis, characterization and optical properties of novel star azo-oligomers containing well-defined oligo(ethylene glycol) segments

NASA Astrophysics Data System (ADS)

González-Gómez, Roberto; Vonlanthen, Mireille; Ortíz-Palacios, Jesús; Ruiu, Andrea; Valderrama-García, Bianca X.; Rivera, Ernesto

2018-05-01

In this work, the synthesis and characterization of a series of star azo-oligomers bearing amino, amino-methoxy, amino-nitro and amino-cyano substituted azobenzene units and oligo(ethylene glycol) segments is reported. The full characterization of the obtained compounds was achieved by FTIR, 1H and 13C NMR spectroscopies, and their molecular weights were determined by MALDI-TOF mass spectrometry. The optical properties of these compounds were studied by absorption spectroscopy in solution. Finally, light polarized microscopy experiments as a function of the temperature were performed in order to study the liquid-crystalline behavior of these star azo-oligomers.

A tapered dielectric waveguide solar concentrator for a compound semiconductor photovoltaic cell.

PubMed

Park, Minkyu; Oh, Kyunghwan; Kim, Jeong; Shin, Hyun Woo; Oh, Byung Du

2010-01-18

A novel tapered dielectric waveguide solar concentrator is proposed for compound semiconductor solar cells utilizing optical fiber preform. Its light collecting capability is numerically simulated and experimentally demonstrated for feasibility and potential assessments. Utilizing tapered shape of an optical fiber preform with a step-index profile, low loss guidance was enhanced and the limitation in the acceptance angle of solar radiation was alleviated by an order of magnitude. Using a solar simulator the device performances were experimentally investigated and discussed in terms of the photocurrent improvements. Total acceptance angle exceeding +/- 6 degrees was experimentally achieved sustaining a high solar flux.

Nonimaging compound parabolic concentrator-type reflectors with variable extreme direction.

PubMed

Gordon, J M; Rabl, A

1992-12-01

The properties of nonimaging compound parabolic concentrator (CPC)-type devices are examined in which the extreme direction is not constant but rather is a variable that can change along the reflector. One can then retain the maximal concentration or radiative efficiency of the CPC while the flux map on the absorber or target is modified, depending on whether the device is used for optical concentration or for lighting. Two general classes of reflector are derived, and all the nonimaging devices developed to date are shown to be special cases of the general solution. These two classes are the nonimaging analog of converging and diverging devices of imaging optics.

[Design of high-efficiency double compound parabolic concentrator system in near infrared noninvasive biochemical analysis].

PubMed

Gao, Jing; Lu, Qi-Peng; Peng, Zhong-Qi; Ding, Hai-Quan; Gao, Hong-Zhi

2013-05-01

High signal-to-noise ratio (SNR) of system is necessary to obtain accurate blood components in near infrared noninvasive biochemical analysis. In order to improve SNR of analytical system, high-efficiency double compound parabolic concentrator (DCPC) system was researched, which was aimed at increasing light utilization efficiency. Firstly, with the request of collection efficiency in near infrared noninvasive biochemical analysis, the characteristic of emergent rays through compound parabolic concentrator (CPC) was analyzed. Then the maximum focusing angle range of the first stage CPC was determined. Secondly, the light utilization efficiency of truncated type was compared with standard DCPC, thus the best structure parameters of DCPC system were optimized. Lastly, combined with optical parameters of skin tissue, calculations were operated when incident wavelength is 1 000 nm. The light utilization efficiency of DCPC system, CPC-focusing mirror system, and non-optical collecting system was calculated. The results show that the light utilization efficiency of the three optical systems is 1.46%, 0.84% and 0.26% respectively. So DCPC system enhances collecting ability for human diffuse reflection light, and helps improve SNR of noninvasive biochemical analysis system and overall analysis accuracy effectively.

Study of variation in thermal width of nematic and induced smectic ordering phase of citric acid (CA) and 4-heptyloxybenzoic acid (7OBA) hydrogen bonded liquid crystal complexes

NASA Astrophysics Data System (ADS)

Sundaram, S.; Jayaprakasam, R.; Praveena, R.; Rajasekaran, T. R.; Senthil, T. S.; Vijayakumar, V. N.

2018-01-01

Hydrogen-bonded liquid crystals (HBLCs) have been derived from nonmesogenic citric acid (CA) and mesogenic 4-heptyloxybenzoic acid (7OBA) yielding a highly ordered smectic C (Sm C) phase along with the new smectic X (Sm X) phase which has been identified as fingerprint-type texture. Optical (polarizing optical microscopy), thermal (differential scanning calorimetry) and structural (Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy) properties are studied. A noteworthy observation is that the intermolecular H-bond (between CA and 7OBA) influences on its melting point and clearing temperature of the HBLCs which exhibits lower value than those of the individual compounds. A typical extended mesophase region has been observed in the present complex while varying the mixture ratio (1:1 to 1:3) than those of individual compounds. The change in the ratio of the mesogenic compound in the mixture alters thermal properties such as enthalpy value and thermal span width in nematic (N) region of HBLC complex. Optical tilt angle measurement of CA+7OBA in Sm C phase has been discussed to identify the molecular position in the mesophase.

Depth-estimation-enabled compound eyes

NASA Astrophysics Data System (ADS)

Lee, Woong-Bi; Lee, Heung-No

2018-04-01

Most animals that have compound eyes determine object distances by using monocular cues, especially motion parallax. In artificial compound eye imaging systems inspired by natural compound eyes, object depths are typically estimated by measuring optic flow; however, this requires mechanical movement of the compound eyes or additional acquisition time. In this paper, we propose a method for estimating object depths in a monocular compound eye imaging system based on the computational compound eye (COMPU-EYE) framework. In the COMPU-EYE system, acceptance angles are considerably larger than interommatidial angles, causing overlap between the ommatidial receptive fields. In the proposed depth estimation technique, the disparities between these receptive fields are used to determine object distances. We demonstrate that the proposed depth estimation technique can estimate the distances of multiple objects.

The structural and magnetic phase transitions in a ``parent'' Fe pnictide compound

NASA Astrophysics Data System (ADS)

Ni, Ni; Allred, Jared; Cao, Huibo; Tian, Wei; Liu, Lian; Cho, Kyuil; Krogstad, Matthew; Ma, Jie; Taddei, Keith; Tanatar, Makariy; Prozorov, Ruslan; Matsuda, Masaaki; Rosenkranz, Stephan; Uemura, Yasutomo; Jiang, Shan

2015-03-01

We will present transport, thermodynamic, synchrotron X-ray, neutron diffraction, μSR, ARPES and polarized optical image measurements on the ``parent'' compound of the 112 high Tc superconducting Fe pnictide family. Structural and magnetic phase transitions are revealed. Detailed magnetic structure was solved by single crystal neutron diffraction. We will discuss the similarity and difference of these transitions comparing to the parent compounds of other Fe pnictide superconductors.

Remote adjustable focus Raman spectroscopy probe

DOEpatents

Schmucker, John E.; Blasi, Raymond J.; Archer, William B.

1999-01-01

A remote adjustable focus Raman spectroscopy probe allows for analyzing Raman scattered light from a point of interest external probe. An environmental barrier including at least one window separates the probe from the point of interest. An optical tube is disposed adjacent to the environmental barrier and includes a long working length compound lens objective next to the window. A beam splitter and a mirror are at the other end. A mechanical means is used to translated the prove body in the X, Y, and Z directions resulting in a variable focus optical apparatus. Laser light is reflected by the beam splitter and directed toward the compound lens objective, then through the window and focused on the point of interest. Raman scattered light is then collected by the compound lens objective and directed through the beam splitter to a mirror. A device for analyzing the light, such as a monochrometer, is coupled to the mirror.

Two-photon or higher-order absorbing optical materials and methods of use

NASA Technical Reports Server (NTRS)

Marder, Seth (Inventor); Perry, Joseph (Inventor)

2012-01-01

Compositions capable of simultaneous two-photon absorption and higher order absorptivities are provided. Compounds having a donor-pi-donor or acceptor-pi-acceptor structure are of particular interest, where the donor is an electron donating group, acceptor is an electron accepting group, and pi is a pi bridge linking the donor and/or acceptor groups. The pi bridge may additionally be substituted with electron donating or withdrawing groups to alter the absorptive wavelength of the structure. Also disclosed are methods of generating an excited state of such compounds through optical stimulation with light using simultaneous absorption of photons of energies individually insufficient to achieve an excited state of the compound, but capable of doing so upon simultaneous absorption of two or more such photons. Applications employing such methods are also provided, including controlled polymerization achieved through focusing of the light source(s) used.

Spectrophotometric and electrical properties of imperatorin: an organic molecule

NASA Astrophysics Data System (ADS)

Mir, Feroz A.

2015-09-01

Imperatorin (molecular formula = C16H14O4, molecular mass = 270) an organic molecule was isolated from ethyl acetate extract of the root parts of the plant Prangos pabularia. The optical study was carried out by ultraviolet-visible spectroscopy, and this compound showed an indirect allowed transition. The optical band gap ( E g ) was found around 3.75 eV. Photoluminescence shows various good emission bands. The frequency-dependent real part of the complex ac conductivity was found to follow the universal dielectric response: σ ac ( ω) α ω s [where σ ac ( ω) is the frequency-dependent total conductivity, ω is the frequency, and s is the frequency exponent]. From ac conductivity data analysis, correlated barrier hopping charge-transport mechanism is the dominant electrical transport process shown by this compound. The good emission, less absorption, wide band gap and good electrical properties shown by this compound project them as a bright choice for organic electronic devices.

An artificial compound eye of photon Sieves

NASA Astrophysics Data System (ADS)

Jiang, Wenbo; Hu, Song; He, Yu; Bu, Yun

2015-11-01

The compound eye of insects has numerous extraordinary optical performances, such as minimum chromatic aberration, wide-angle field of view, and high sensitivity to the incidence light. Inspired by these unique performances, we present a novel artificial compound eye of photon sieves in this paper, where the photon sieves play the roles of insects' ommatidia. These photon sieves have the same focal length. The incidence light can be focused into the same focal plane and produce the superposition effect, the utilization ratio of energy can be largely improved. Through the numerical simulation, the results show that this novel structure has similar focusing performance with the conventional photon sieves, but has higher utilization ratio of energy and wider angle field of view than that of the conventional photon sieves. Our findings provide a new direction for optics and biology researchers, which will be beneficial for medical imaging, astronomy, etc.

Synthesis, crystal growth and studies on non-linear optical property of new chalcones

NASA Astrophysics Data System (ADS)

Sarojini, B. K.; Narayana, B.; Ashalatha, B. V.; Indira, J.; Lobo, K. G.

2006-09-01

The synthesis, crystal growth and non-linear optical (NLO) property of new chalcone derivatives are reported. 4-Propyloxy and 4-butoxy benzaldehydes were made to under go Claisen-Schmidt condensation with 4-methoxy, 4-nitro and 4-phenoxy acetophenones to form corresponding chalcones. The newly synthesized compounds were characterized by analytical and spectral data. The Second harmonic generation (SHG) efficiency of these compounds was measured by powder technique using Nd:YAG laser. Among tested compounds three chalcones showed NLO property. The chalcone 1-(4-methoxyphenyl)-3-(4-propyloxy phenyl)-2-propen-1-one exhibited SHG conversion efficiency 2.7 times that of urea. The bulk crystal of 1-(4-methoxyphenyl)-3-(4-butoxyphenyl)-2-propen-1-one (crystal size 65×28×15 mm 3) was grown by slow-evaporation technique from acetone. Microhardness of the crystal was tested by Vicker's microhardness method.

Optical transmission through silver film with compound periodic array of annular apertures

NASA Astrophysics Data System (ADS)

Zhang, Yue; Yao, Wen-jie; Yu, Hong

2015-03-01

Recently, some kinds of structures have been found to show the property of extraordinary optical transmission (EOT). In this paper, we present a novel composite structure based on array of annular apertures (AAA) with compound lattice. The lattice includes two kinds of annular apertures with the same outer radius and different inner radii. The transmission spectrum of this compound periodic AAA can be achieved by adding up the spectra of two corresponding simple periodic AAAs, and the transmission shows EOT property. The transmission peaks of this kind of structure can be adjusted to desire wavelengths by changing the inner radius of aperture or the index of the dielectric material in the aperture. This structure can be used as a filter with dual pass bands when the difference between inner radii or indices of dielectric inside is large enough for two kinds of apertures.

Synthesis and characterization of mixed monolayer protected gold nanorods and their Raman activities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mlambo, Mbuso; Nanotechnology Innovation Centre, Advanced Materials Division, Mintek, Private Bag X3015, Randburg 2125; Mdluli, Phumlani S.

2013-10-15

Graphical abstract: Gold nanorods surface functionalization. - Highlights: • Mixed monolayer protected gold nanorods. • Surface enhanced Raman spectroscopy. • HS-(CH{sub 2}){sub 11}-NHCO-coumarin as a Raman active compound. - Abstract: The cetyltrimethylammonium bromide (CTAB) gold nanorods (AuNRs) were prepared by seed-mediated route followed by the addition of a Raman active compound (HS-(CH{sub 2}){sub 11}-NHCO-coumarin) on the gold nanorods surfaces. Different stoichiometric mixtures of HS-(CH{sub 2}){sub 11}-NHCO-coumarin and HS-PEG-(CH{sub 2}){sub 11}COOH were evaluated for their Raman activities. The lowest stoichiometric ratio HS-(CH{sub 2}){sub 11}-NHCO-coumarin adsorbed on gold nanorods surface was detected and enhanced by Raman spectroscopy. The produced mixed monolayer protectedmore » gold nanorods were characterized by UV-vis spectrometer for optical properties, transmission electron microscope (TEM) for structural properties (shape and aspect ratio) and their zeta potentials (charges) were obtained from ZetaSizer to determine the stability of the produced mixed monolayer protected gold nanorods. The Raman results showed a surface enhanced Raman scattering (SERS) enhancement at the lowest stoichiometric ratio of 1% HS-(CH{sub 2}){sub 11}-NHCO-coumarin compared to high ratio of 50% HS-(CH{sub 2}){sub 11}-NHCO-coumarin on the surface of gold nanorods.« less

DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE CsMF3 (M = Ca AND Sr)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, M.; Khenata, R.; Baki, N.; Haddou, A.; Abbar, B.; UǦUR, Ş.; Omran, S. Bin; Soyalp, F.

2012-12-01

Density functional theory (DFT) is performed to study the structural, electronic and optical properties of cubic fluoroperovskite AMF3 (A = Cs; M = Ca and Sr) compounds. The calculations are based on the total-energy calculations within the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential is treated by local density approximation (LDA) and generalized gradient approximation (GGA). The structural properties, including lattice constants, bulk modulus and their pressure derivatives are in very good agreement with the available experimental and theoretical data. The calculations of the electronic band structure, density of states and charge density reveal that compounds are both ionic insulators. The optical properties (namely: the real and the imaginary parts of the dielectric function ɛ(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 40.0 eV.

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time.more » Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.« less

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

PubMed Central

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

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. PMID:26713213

Development of molecular based optical techniques for thermometry and velocimetry for fluorocarbon media

NASA Astrophysics Data System (ADS)

Pouya, Shahram; Blanchard, Gary; Koochesfahani, Manoochehr

2016-11-01

Fluorocarbon solvents are very stable inert fluids with unique physical properties that make them attractive compounds as refrigerant and several medical applications such as contrast enhanced ultrasound imaging. Since they do not mix with typical organic solvents or water, most luminescent (fluorescent or phosphorescent) probes cannot be used as tracers for optical diagnostic techniques. Perfluoropentane, a compound from this family, is used as a simulant fluid by NASA for two-phase heat transfer/mixing experiments under micro-gravity condition due to its low boiling temperature. Here we study the feasibility of employing non-intrusive optical methods for measurements of temperature and/or velocity within Perfluoropentane as the working fluid. Preliminary results of temperature and velocity measurement using Laser Induced Fluorescence and Molecular Tagging Velocimetry are presented. This work was supported by NASA Grant Number NNX16AD52A.

Synthesis, growth and characterization of 3-nitroacetanilide—A new organic nonlinear optical crystal by Bridgman technique

NASA Astrophysics Data System (ADS)

Lenin, M.; Ramasamy, P.

2008-10-01

Single crystals of 3-nitroacetanilide, an organic nonlinear optical material has been grown by the Bridgman-Stockbarger method. The single crystal X-ray diffraction (XRD) data revealed the noncentrosymmetric crystal structure, which is an essential criterion for second harmonic generation. The crystalline nature of the grown crystals was confirmed using powder XRD techniques. The functional group of the compound is identified by FTIR spectrum. The thermal stability and its tendency to grow as single crystal in solution and in melt have been identified for the new title compound. The UV-vis spectrum of mNAA shows the lower optical cut off at 400 nm and was transparent in the visible region. The second harmonic generation efficiency was found using Kurtz powder technique. The dielectric constant and dielectric loss of the crystal were measured as a function of frequency and temperature, and the results are discussed.

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

PubMed

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.

Tidal Marsh Outwelling of Dissolved Organic Matter and Resulting Temporal Variability in Coastal Water Optical and Biogeochemical Properties

NASA Technical Reports Server (NTRS)

Tzortziou, Maria; Neale, Patrick J.; Megonigal, J. Patrick; Butterworth, Megan; Jaffe, Rudolf; Yamashita, Youhei

2010-01-01

Coastal wetlands are highly dynamic environments at the land-ocean interface where human activities, short-term physical forcings and intense episodic events result in high biological and chemical variability. Long being recognized as among the most productive ecosystems in the world, tidally-influenced coastal marshes are hot spots of biogeochemical transformation and exchange. High temporal resolution observations that we performed in several marsh-estuarine systems of the Chesapeake Bay revealed significant variability in water optical and biogeochemical characteristics at hourly time scales, associated with tidally-driven hydrology. Water in the tidal creek draining each marsh was sampled every hour during several semi-diurnal tidal cycles using ISCO automated samplers. Measurements showed that water leaving the marsh during ebbing tide was consistently enriched in dissolved organic carbon (DOC), frequently by more than a factor of two, compared to water entering the marsh during flooding tide. Estimates of DOC fluxes showed a net DOC export from the marsh to the estuary during seasons of both low and high biomass of marsh vegetation. Chlorophyll amounts were typically lower in the water draining the marsh, compared to that entering the marsh during flooding tide, suggesting that marshes act as transformers of particulate to dissolved organic matter. Moreover, detailed optical and compositional analyses demonstrated that marshes are important sources of optically and chemically distinctive, relatively complex, high molecular weight, aromatic-rich and highly colored dissolved organic compounds. Compared to adjacent estuarine waters, marsh-exported colored dissolved organic matter (CDOM) was characterized by considerably stronger absorption (more than a factor of three in some cases), larger DOC-specific absorption, lower exponential spectral slope, larger fluorescence signal, lower fluorescence per unit absorbance, and higher fluorescence at visible wavelengths. Observed patterns in water optical and biogeochemical variables were very consistent among different marsh systems and throughout the year, despite continued tidal exchange, implying rapid transformation of marsh DOM in the estuary through both photochemical and microbial processes. These findings illustrate the importance of tidal marsh ecosystems as sources, sinks and/or transformers of biologically important nutrients, carbon and colored dissolved organic compounds, and their influence on short-term biological, optical and biogeochemical variability in coastal waters.

Science and Technology of Nanostructured Magnetic Materials

DTIC Science & Technology

1990-07-06

galvano-magnetic and magneto-optic effects that can lead to future storage technologies. Ultrafine particles also show interesting and unique properties...areas including thin films, multilayers, disordered systems, ultrafine particles , intermetallic compounds, permanent magnets and magnetic imaging... ultrafine particles , intermetallic compounds, permanent magnets and magnetic imaging techniques. The development of new techniques for materials preparation

Caged compounds for multichromic optical interrogation of neural systems.

PubMed

Amatrudo, Joseph M; Olson, Jeremy P; Agarwal, Hitesh K; Ellis-Davies, Graham C R

2015-01-01

Caged compounds are widely used by neurophysiologists to study many aspects of cellular signaling in glia and neurons. Biologically inert before irradiation, they can be loaded into cells via patch pipette or topically applied in situ to a defined concentration; photolysis releases the caged compound in a very rapid and spatially defined way. As caged compounds are exogenous optical probes, they include not only natural products such neurotransmitters, calcium and IP3 but non-natural products such as fluorophores, drugs and antibodies. In this Technical Spotlight we provide a short introduction to the uncaging technique by discussing the nitroaromatic caging chromophores most widely used in such experiments [e.g. α-carboxy-ortho-nitrobenyl (CNB), dimethoxynitrobenzyl (DMNB), 4-methoxy-7-nitroindolinyl (MNI) and 4-carboxymethoxy-7-nitroindolinyl (CDNI)]. We show that recently developed caging chromophores [rutheniumbipyridial (RuBi) and 7-diethylaminocoumarin (DEAC)450] that are photolyzed with blue light (~ 430-480 nm range) can be combined with traditional nitroaromatic caged compounds to enable two-color optical probing of neuronal function. For example, one-photon uncaging of either RuBi-GABA or DEAC450-GABA with a 473-nm laser is facile, and can block nonlinear currents (dendritic spikes or action potentials) evoked by two-photon uncaging of CDNI-Glu at 720 nm. We also show that two-photon uncaging of DEAC450-Glu and CDNI-GABA at 900 and 720 nm, respectively, can be used to fire and block action potentials. Our experiments illustrate that recently developed chromophores have taken uncaging out of the 'monochrome era', in which it has existed since 1978, so as to enable multichromic interrogation of neuronal function with single-synapse precision. © 2014 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

Optical remote sensing of atmospheric compounds

NASA Astrophysics Data System (ADS)

Vazquez, Gabriel J.

1996-02-01

Human activities are altering the earth system at the local, regional, and global scales. It is therefore of the utmost importance to track the workings of mother earth in order to detect any changes at their early stages so that appropriate actions are taken to understand, assess, control or prevent the adverse effects. A number of deleterious effects to the environment can, at least in part, be ascribed to air pollution, namely, the thinning of the ozone layer, the related increase in the occurrence of skin cancer, the warming of the earth system, photochemical smog, acid rain/fog, acidification of soils and waters, forest decline, etc. It is therefore necessary to monitor the most relevant processes of the earth's atmosphere, namely, the energy input, the dynamics and the chemistry. In this contribution I mainly focus on the latter, specifically, on the measurement/monitoring of atmospheric compounds. To understand atmospheric chemistry and air pollution it is necessary to have reliable and accurate values of the mixing ratios of the numerous atmospheric gases and of their diurnal/seasonal variations and long-term trends. In this contribution I present an overview of the most relevant optical remote sensing techniques that are rapidly becoming the methods of choice to probe the chemical composition and physical state of the atmosphere, especially when high selectivity, sensitivity and fast-time response are required.

VERIFICATION OF PORTABLE OPTICAL AND THERMAL IMAGING DEVICES FOR LEAK DETECTION AT PETROLEUM REFINERIES AND CHEMICAL PLANTS

EPA Science Inventory

Optical and thermal imaging devices are remote sensing systems that can be used to detect leaking gas compounds such as methane and benzene. Use of these systems can reduce fugitive emission losses through early detection and repair at industrial facilities by providing an effici...

Magnetic and structural properties of yellow europium oxide compound and Eu(OH){sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Dongwook, E-mail: dongwookleedl324@gmail.com; Seo, Jiwon, E-mail: jiwonseo@yonsei.ac.kr; Valladares, Luis de los Santos

A new material based on a yellow europium oxide compound was prepared from europium oxide in a high vacuum environment. The structural and magnetic properties of the material were investigated. Owing to the absence of a crystal structure, the material exhibited a disordered magnetic behavior. In a reaction with deionized (DI) water without applied heat, the compound assumed a white color as soon as the DI water reached the powder, and the structure became polycrystalline Eu(OH){sub 3}. The magnetic properties, such as the thermal hysteresis, disappeared after the reaction with DI water, and the magnetic susceptibility of the yellow oxidemore » compound weakened. The magnetic properties of Eu(OH){sub 3} were also examined. Although Eu{sup 3+} is present in Eu(OH){sub 3}, a high magnetic moment due to the crystal field effect was observed. - Graphical abstract: (top left) Optical image of the yellow europium oxide compound. (top right) Optical image of the product of DI water and yellow europium oxide. (bottom) Magnetization curves as a function of temperature measured in various magnetic field. - Highlights: • We prepared a new material based on a yellow europium oxide compound from europium oxide. • We characterized the magnetic properties of the material which exhibits a disordered magnetic behavior such as thermal hysteresis. • The compound turned white (Eu(OH){sub 3}) as soon as the DI water reached the powder. • The thermal hysteresis disappeared after the reaction with DI water and the magnetic susceptibility of the yellow oxide compound weakened.« less

Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

NASA Astrophysics Data System (ADS)

Karthigha, S.; Krishnamoorthi, C.

2018-03-01

An organic quinolinium derivative nonlinear optical (NLO) crystal, 1-ethyl-2-[2-(4-nitro-phenyl)-vinyl]-quinolinium iodide (PNQI) was synthesized and successfully grown by slow evaporation solution growth technique. Formation of a crystalline compound was confirmed by single crystal X-ray diffraction. The quinolinium compound PNQI crystallizes in the triclinic crystal system with a centrosymmetric space group of P-1 symmetry. The molecular structure of PNQI was confirmed by 1H NMR and 13C NMR spectral studies. The thermal properties of the crystal have been investigated by thermogravimetric (TG) and differential scanning calorimetry (DSC) studies. The optical characteristics obtained from UV-Vis-NIR spectral data were described and the cut-off wavelength observed at 506 nm. The etching study was performed to analyse the growth features of PNQI single crystal. The third order NLO properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β) and nonlinear susceptibility (χ (3)) of the crystal were investigated using Z-scan technique at 632.8 nm of Hesbnd Ne laser.

Response characterization of a fiber optic sensor array with dye-coated planar waveguide for detection of volatile organic compounds.

PubMed

Lee, Jae-Sung; Yoon, Na-Rae; Kang, Byoung-Ho; Lee, Sang-Won; Gopalan, Sai-Anand; Jeong, Hyun-Min; Lee, Seung-Ha; Kwon, Dae-Hyuk; Kang, Shin-Won

2014-07-01

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-(dimethylamino)cinnamaldehyde, 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.

Antimicrobial activity, structural evaluation and vibrational (FT-IR and FT-Raman) study of pyrrole containing vinyl derivatives

NASA Astrophysics Data System (ADS)

Singh, R. N.; Rawat, Poonam; Sahu, Sangeeta; Kumar, Yashvinder

2016-02-01

In this paper we present structural and vibrational study of three vinylpyrrole derivatives: 2-Cyano-3-(1H-pyrrol-2-yl)-acrylamide (CPA), 1-(1H-Pyrrol-2-yl)-Pent-1-en-3-one (PP) and 1-(1H-Pyrrol-2-yl)-but-1-en-3-one (PB), using ab initio, DFT and experimental approaches. The quantum chemical calculation have been performed on B3LYP method and 6-311 + G(d,p) basis set. The experimental FT-IR and Raman wavenumbers were compared with the respective theoretical values obtained from DFT calculations and found to agree well. The experimental FT-IR and Raman study clearly indicate that the compound exist as dimer in solid state. The binding energies of (CPA), (PP) and (PB) dimers are found to be 20.95, 18.75 and 19.18 kcal/mol, respectively. The vibrational analysis shows red shifts in vN-H and vCdbnd O stretching as result of dimer formation. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using NBO analysis. Topological and energetic parameters reveal the nature of interactions in dimer. The local electronic descriptors analyses were used to predict the reactive sites in the molecule. Calculated first static hyperpolarizability of CPA, PP and PB is found to be 10.41 × 10- 30, 18.93 × 10- 30, 18.29 × 10- 30 esu, respectively, shows that investigated molecules will have non-linear optical response and might be used as non-linear optical (NLO) material. These vinylpyrrole compounds (CPA), (PP) and (PB) showed antifungal and antibacterial activity against Aspergillus niger and gram-positive bacteria Bacillus subtili.

Shifting in optoelectronic properties from pure K2O and Rb2O compounds to their V- and Cr-doped alloys

NASA Astrophysics Data System (ADS)

Monir, Mohammed El Amine; Ullah, Hayat; Baltach, Hadj; Mouchaal, Younes; Merabiha, Omar; Bahnes, Aicha; Rached, Djamel

2018-04-01

First principle calculations within the density functional theory (DFT) have been used in this approach to study the electronic and optical properties of vanadium (V) and chromium (Cr) doped K2O and Rb2O compounds. Based on the structure properties reported in our previous work, the study of electronic and optoelectronic properties of V- and Cr-doped K2O and Rb2O alloys have been vastly investigated. K2O and Rb2O are found to be semiconductors while their V- and Cr-alloys are metallic in nature. The optical functions like complex dielectric constant, complex index of refraction, absorption coefficient, and reflectivity of these alloys are computed and compared with those of pure K2O and Rb2O compounds. It has been shown that due to TM-doping (TM = V and Cr transition metals), many distinguished peaks appeared in the lower energy part (infrared) of the spectrum. The negative value of 𝜀1 (ω) in this energy range confirmed the metallic behavior of these alloys. Furthermore, the frequency-dependent optical conductivity is also predicted in the entire spectrum, where it increases with increasing photon energy for all the studied alloys. The significant results of α (ω) predict that all these compounds are useful in different optoelectronic applications in a wide part of the spectrum (between 13 eV and 27 eV).

Synthesis, characterization and thermal decomposition of tetramethylammonium rare earth double selenates

NASA Astrophysics Data System (ADS)

Divekar, Sandesh K.; Achary, S. Nagabhusan; Ajgaonkar, Vishnu R.

2018-06-01

A series of double selenates, as (CH3)4NLn(SeO4)2rad 4H2O (Ln = Rare earth ion like La, Pr, Nd, Sm, Gd, Tb, Dy) was crystallized from mixed solution and characterized in detail for their structure, vibrational and optical properties as well as thermal stabilities. The crystal structure of the praseodymium compound was obtained by single crystal X-ray diffraction (XRD) and revealed a monoclinic (C2/c) lattice with chains formed by PrO8 and SeO4 units. The chains with compositions [Pr(SeO4)4(H2O)4]- are stacked in three dimensions and the (CH3)4N+ ions located in between them provide charge neutrality to the structure. The characterization of other compounds were carried out from powder XRD data and revealed that they all are isostructural to Pr-compound. All the functional groups were identified by Raman and IR spectroscopic studies. Solid state 77Se NMR revealed noticeable changes in selenium environment in these compounds. The optical absorption studies on the compounds show strong band edge absorptions in UV region. Thermal stabilities of the compounds, as investigated by simultaneous TG-DTA techniques indicate their sequential decompositions due to loss of H2O, (CH3)4N+ group, SeO2 and finally leaving their corresponding rare earth oxides.

Neuroprotective Properties of Compounds Extracted from Dianthus superbus L. against Glutamate-induced Cell Death in HT22 Cells

PubMed Central

Yun, Bo-Ra; Yang, Hye Jin; Weon, Jin Bae; Lee, Jiwoo; Eom, Min Rye; Ma, Choong Je

2016-01-01

Background: Dianthus superbus L. has been used in Chinese herbal medicine as a diuretic and anti-inflammatory agent. Objective: In this study, we isolated ten bioactive compounds from D. superbus and evaluated their neuroprotective activity against glutamate-induced cell death in the hippocampal neuronal HT22 cells. Materials and Methods: New compound, (E)-methyl-4-hydroxy-4-(8a-methyl-3-oxodecahydronaphthalen-4a-yl) (1) and, nine known compounds, diosmetin-7-O (2’’,6’’-di-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside (2), 4-hydroxy-3-methoxy-pentyl ester benzenepropanoic acid (3), vanillic acid (4), 4-hydroxy-benzeneacetic acid (5), 4-methoxybenzeneacetic acid (6), (E)-4-methoxycinnamic acid (7), 3-methoxy-4-hydroxyphenylethanol (8), hydroferulic acid (9), and methyl hydroferulate (10), were isolated by bioactivity-guided separation. Structures of the isolated compounds were identified on the basis of 1H nuclear magnetic resonance (NMR), 13C NMR, and two-dimensional NMR spectra, while their neuroprotective properties were evaluated by performing the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay. Results: D. superbus extract had a neuroprotective effect and isolated 10 compounds. Among the compounds, compounds 5 and 6 effectively protected HT22 cells against glutamate toxicity. Conclusion: In conclusion, the extract of D. superbus and compounds isolated from it exhibited neuroprotective properties, suggesting therapeutic potential for applications in neurotoxic diseases. SUMMARY D. superbus extract significantly protected on glutamate-induced cell death in HT22 cellsNew compound, (E)-methyl-4-hydroxy-4-(8a-methyl-3-oxodecahydronaphthalen-4a-yl) (1) and, nine known compounds, diosmetin-7-O(2’’,6’’-di-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside (2), 4-hydroxy-3-methoxy-pentyl ester benzenepropanoic acid (3), vanillic acid (4), 4-hydroxy-benzeneacetic acid (5), 4-methoxybenzeneacetic acid (6), (E)-4-methoxycinnamic acid (7), 3-methoxy-4-hydroxyphenylethanol (8), hydroferulic acid (9), and methyl hydroferulate (10) were isolated from D. superbus extract4-hydroxy-benzeneacetic acid and 4-methoxybenzeneacetic acid showed significant protective activity against glutamate-induced toxicity in HT22 cells. Abbreviations used: CNS: Central nervous system, ROS: Reactive oxygen species, CHCl3: Chloroform, EtOAc: Ethyl acetate, BuOH: Butanol, HPLC: High performance liquid chromatography, TLC: Thin layer chromatography, MPLC: Middle performance liquid chromatography, MeOH: Methanol, OD: Optical density, COSY: Correlation spectroscopy, HMQC: Heteronuclear multiple-quantum correlation, HMBC: Heteronuclear multiple-bond correlation, HR-MS: High-resolution molecular spectroscopy, MTT: 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide. PMID:27076746

Neuroprotective Properties of Compounds Extracted from Dianthus superbus L. against Glutamate-induced Cell Death in HT22 Cells.

PubMed

Yun, Bo-Ra; Yang, Hye Jin; Weon, Jin Bae; Lee, Jiwoo; Eom, Min Rye; Ma, Choong Je

2016-01-01

Dianthus superbus L. has been used in Chinese herbal medicine as a diuretic and anti-inflammatory agent. In this study, we isolated ten bioactive compounds from D. superbus and evaluated their neuroprotective activity against glutamate-induced cell death in the hippocampal neuronal HT22 cells. New compound, (E)-methyl-4-hydroxy-4-(8a-methyl-3-oxodecahydronaphthalen-4a-yl) (1) and, nine known compounds, diosmetin-7-O (2'',6''-di-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside (2), 4-hydroxy-3-methoxy-pentyl ester benzenepropanoic acid (3), vanillic acid (4), 4-hydroxy-benzeneacetic acid (5), 4-methoxybenzeneacetic acid (6), (E)-4-methoxycinnamic acid (7), 3-methoxy-4-hydroxyphenylethanol (8), hydroferulic acid (9), and methyl hydroferulate (10), were isolated by bioactivity-guided separation. Structures of the isolated compounds were identified on the basis of (1)H nuclear magnetic resonance (NMR), (13)C NMR, and two-dimensional NMR spectra, while their neuroprotective properties were evaluated by performing the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay. D. superbus extract had a neuroprotective effect and isolated 10 compounds. Among the compounds, compounds 5 and 6 effectively protected HT22 cells against glutamate toxicity. In conclusion, the extract of D. superbus and compounds isolated from it exhibited neuroprotective properties, suggesting therapeutic potential for applications in neurotoxic diseases. D. superbus extract significantly protected on glutamate-induced cell death in HT22 cellsNew compound, (E)-methyl-4-hydroxy-4-(8a-methyl-3-oxodecahydronaphthalen-4a-yl) (1) and, nine known compounds, diosmetin-7-O(2'',6''-di-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside (2), 4-hydroxy-3-methoxy-pentyl ester benzenepropanoic acid (3), vanillic acid (4), 4-hydroxy-benzeneacetic acid (5), 4-methoxybenzeneacetic acid (6), (E)-4-methoxycinnamic acid (7), 3-methoxy-4-hydroxyphenylethanol (8), hydroferulic acid (9), and methyl hydroferulate (10) were isolated from D. superbus extract4-hydroxy-benzeneacetic acid and 4-methoxybenzeneacetic acid showed significant protective activity against glutamate-induced toxicity in HT22 cells. Abbreviations used: CNS: Central nervous system, ROS: Reactive oxygen species, CHCl3: Chloroform, EtOAc: Ethyl acetate, BuOH: Butanol, HPLC: High performance liquid chromatography, TLC: Thin layer chromatography, MPLC: Middle performance liquid chromatography, MeOH: Methanol, OD: Optical density, COSY: Correlation spectroscopy, HMQC: Heteronuclear multiple-quantum correlation, HMBC: Heteronuclear multiple-bond correlation, HR-MS: High-resolution molecular spectroscopy, MTT: 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide.

Monitoring ATP dynamics in electrically active white matter tracts

PubMed Central

Trevisiol, Andrea; Saab, Aiman S; Winkler, Ulrike; Marx, Grit; Imamura, Hiromi; Möbius, Wiebke; Kusch, Kathrin; Nave, Klaus-Armin; Hirrlinger, Johannes

2017-01-01

In several neurodegenerative diseases and myelin disorders, the degeneration profiles of myelinated axons are compatible with underlying energy deficits. However, it is presently impossible to measure selectively axonal ATP levels in the electrically active nervous system. We combined transgenic expression of an ATP-sensor in neurons of mice with confocal FRET imaging and electrophysiological recordings of acutely isolated optic nerves. This allowed us to monitor dynamic changes and activity-dependent axonal ATP homeostasis at the cellular level and in real time. We find that changes in ATP levels correlate well with compound action potentials. However, this correlation is disrupted when metabolism of lactate is inhibited, suggesting that axonal glycolysis products are not sufficient to maintain mitochondrial energy metabolism of electrically active axons. The combined monitoring of cellular ATP and electrical activity is a novel tool to study neuronal and glial energy metabolism in normal physiology and in models of neurodegenerative disorders. DOI: http://dx.doi.org/10.7554/eLife.24241.001 PMID:28414271

Manufacturing Science of Improved Molded Optics

DTIC Science & Technology

2013-12-05

Forrer, “Interaction of N-FK5 and L- BAL35 optical glass with various carbide and other precision glass mold tooling”, SPIE Optifab 2013 Conference...Richardson, S. Mourad, M. Huber, A. Kunz, M. Forrer. Interaction of N-FK5 and L-BAL35 optical glass with various carbide and other precision glass mold...stoichiometric compounds. As an example, if silicon and oxygen are present in a material, then it was assumed that they are present in the form of

Design, fabrication and testing of hierarchical micro-optical structures and systems

NASA Astrophysics Data System (ADS)

Cannistra, Aaron Thomas

Micro-optical systems are becoming essential components in imaging, sensing, communications, computing, and other applications. Optically based designs are replacing electronic, chemical and mechanical systems for a variety of reasons, including low power consumption, reduced maintenance, and faster operation. However, as the number and variety of applications increases, micro-optical system designs are becoming smaller, more integrated, and more complicated. Micro and nano-optical systems found in nature, such as the imaging systems found in many insects and crustaceans, can have highly integrated optical structures that vary in size by orders of magnitude. These systems incorporate components such as compound lenses, anti-reflective lens surface structuring, spectral filters, and polarization selective elements. For animals, these hybrid optical systems capable of many optical functions in a compact package have been repeatedly selected during the evolutionary process. Understanding the advantages of these designs gives motivation for synthetic optical systems with comparable functionality. However, alternative fabrication methods that deviate from conventional processes are needed to create such systems. Further complicating the issue, the resulting device geometry may not be readily compatible with existing measurement techniques. This dissertation explores several nontraditional fabrication techniques for optical components with hierarchical geometries and measurement techniques to evaluate performance of such components. A micro-transfer molding process is found to produce high-fidelity micro-optical structures and is used to fabricate a spectral filter on a curved surface. By using a custom measurement setup we demonstrate that the spectral filter retains functionality despite the nontraditional geometry. A compound lens is fabricated using similar fabrication techniques and the imaging performance is analyzed. A spray coating technique for photoresist application to curved surfaces combined with interference lithography is also investigated. Using this technique, we generate polarizers on curved surfaces and measure their performance. This work furthers an understanding of how combining multiple optical components affects the performance of each component, the final integrated devices, and leads towards realization of biomimetically inspired imaging systems.

Determination of reference values for optical properties of liquid phantoms based on Intralipid and India ink

PubMed Central

Spinelli, L.; Botwicz, M.; Zolek, N.; Kacprzak, M.; Milej, D.; Sawosz, P.; Liebert, A.; Weigel, U.; Durduran, T.; Foschum, F.; Kienle, A.; Baribeau, F.; Leclair, S.; Bouchard, J.-P.; Noiseux, I.; Gallant, P.; Mermut, O.; Farina, A.; Pifferi, A.; Torricelli, A.; Cubeddu, R.; Ho, H.-C.; Mazurenka, M.; Wabnitz, H.; Klauenberg, K.; Bodnar, O.; Elster, C.; Bénazech-Lavoué, M.; Bérubé-Lauzière, Y.; Lesage, F.; Khoptyar, D.; Subash, A. A.; Andersson-Engels, S.; Di Ninni, P.; Martelli, F.; Zaccanti, G.

2014-01-01

A multi-center study has been set up to accurately characterize the optical properties of diffusive liquid phantoms based on Intralipid and India ink at near-infrared (NIR) wavelengths. Nine research laboratories from six countries adopting different measurement techniques, instrumental set-ups, and data analysis methods determined at their best the optical properties and relative uncertainties of diffusive dilutions prepared with common samples of the two compounds. By exploiting a suitable statistical model, comprehensive reference values at three NIR wavelengths for the intrinsic absorption coefficient of India ink and the intrinsic reduced scattering coefficient of Intralipid-20% were determined with an uncertainty of about 2% or better, depending on the wavelength considered, and 1%, respectively. Even if in this study we focused on particular batches of India ink and Intralipid, the reference values determined here represent a solid and useful starting point for preparing diffusive liquid phantoms with accurately defined optical properties. Furthermore, due to the ready availability, low cost, long-term stability and batch-to-batch reproducibility of these compounds, they provide a unique fundamental tool for the calibration and performance assessment of diffuse optical spectroscopy instrumentation intended to be used in laboratory or clinical environment. Finally, the collaborative work presented here demonstrates that the accuracy level attained in this work for optical properties of diffusive phantoms is reliable. PMID:25071947

Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound

DOE PAGES

Liberman-Martin, Allegra L.; Bergman, Robert G.; Tilley, T. Don

2015-04-16

Bis(perfluorocatecholato)silane Si(cat( F) 2 was prepared, and stoichiometric binding to Lewis bases was demonstrated with fluoride, triethylphosphine oxide, and N,N'-diisopropylbenzamide. The potent Lewis acidity of Si(cat( F) 2 was suggested from catalytic hydrosilylation and silylcyanation reactions with aldehydes. Mechanistic studies of hydrosilylation using an optically active silane substrate, R-(+)-methyl-(1-naphthyl)phenylsilane, proceeded with predominant stereochemical retention at silicon, consistent with a carbonyl activation pathway. The enantiospecificity was dependent on solvent and salt effects, with increasing solvent polarity or addition of NBu 4BAr( F) 4 leading to a diminished enantiomeric ratio. The medium effects are consistent with an ionic mechanism, wherein hydride transfermore » occurs prior to silicon-oxygen bond formation.« less

Hornets Can Fly at Night without Obvious Adaptations of Eyes and Ocelli

PubMed Central

Kelber, Almut; Jonsson, Fredrik; Wallén, Rita; Warrant, Eric; Kornfeldt, Torill; Baird, Emily

2011-01-01

Hornets, the largest social wasps, have a reputation of being facultatively nocturnal. Here we confirm flight activity of hornet workers in dim twilight. We studied the eyes and ocelli of European hornets (Vespa crabro) and common wasps (Vespula vulgaris) with the goal to find the optical and anatomical adaptations that enable them to fly in dim light. Adaptations described for obligately nocturnal hymenoptera such as the bees Xylocopa tranquebarica and Megalopta genalis and the wasp Apoica pallens include large ocelli and compound eyes with wide rhabdoms and large facet lenses. Interestingly, we did not find any such adaptations in hornet eyes or ocelli. On the contrary, their eyes are even less sensitive than those of the obligately diurnal common wasps. Therefore we conclude that hornets, like several facultatively nocturnal bee species such as Apis mellifera adansonii, A. dorsata and X. tenuiscapa are capable of seeing in dim light simply due to the large body and thus eye size. We propose that neural pooling strategies and behavioural adaptations precede anatomical adaptations in the eyes and ocelli when insects with apposition compound eyes turn to dim light activity. PMID:21765923

Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation

PubMed Central

2017-01-01

Three series of biarylpyrazole imidazole and triazoles are described, which vary in the linker between the biaryl pyrazole and imidazole/triazole group. The imidazole and triazole series with the short −CH2– linker displayed promising antimycobacterial activity, with the imidazole–CH2– series (7) showing low MIC values (6.25–25 μg/mL), which was also influenced by lipophilicity. Extending the linker to −C(O)NH(CH2)2– resulted in a loss of antimycobacterial activity. The binding affinity of the compounds with CYP121A1 was determined by UV–visible optical titrations with KD values of 2.63, 35.6, and 290 μM, respectively, for the tightest binding compounds 7e, 8b, and 13d from their respective series. Both binding affinity assays and docking studies of the CYP121A1 inhibitors suggest type II indirect binding through interstitial water molecules, with key binding residues Thr77, Val78, Val82, Val83, Met86, Ser237, Gln385, and Arg386, comparable with the binding interactions observed with fluconazole and the natural substrate dicyclotyrosine. PMID:29185746

Design and synthesis of aloe-emodin derivatives as potent anti-tyrosinase, antibacterial and anti-inflammatory agents.

PubMed

Liu, Jinbing; Wu, Fengyan; Chen, Changhong

2015-11-15

Twenty aloe-emodin derivatives were designed, synthesized, and their biological activities were evaluated. Some compounds displayed potent tyrosinase inhibitory activities, especially, compounds with thiosemicarbazide moiety showed more potent inhibitory effects than the other compounds. The structure-activity relationships (SARs) were preliminarily discussed. The inhibition mechanism of selected compounds 1 and 13 were investigated. The results showed compound 1 was reversible inhibitor, however, compound 13 was irreversible. Kinetic analysis indicated that compound 1 was competitive tyrosinase inhibitor. Furthermore, the antibacterial activities and anti-inflammatory activities of some selected compounds were also screened. The results showed that compound 3 exhibited more potent antibacterial activity than the aloe-emodin, compounds 5 and 6 possessed more potent anti-inflammatory activities than the diacerein. Copyright © 2015 Elsevier Ltd. All rights reserved.

Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional theory calculations.

PubMed

Sheena Mary, Y; Raju, K; Panicker, C Yohannan; Al-Saadi, Abdulaziz A; Thiemann, Thies; Van Alsenoy, Christian

2014-07-15

The conformational behavior and structural stability of (2E)-3-phenylprop-2-enoic anhydride were investigated by using density functional theory. Seventeen possible stable conformations of the title compound were determined and verified with their calculated vibrational frequencies being all positive. The optimized molecular structure, vibrational wavenumbers, corresponding vibrational assignments of (2E)-3-phenylprop-2-enoic anhydride have been investigated experimentally and theoretically using Gaussian09 software package. Potential energy distribution of normal modes vibrations was done using GAR2PED program. The HOMO and LUMO analysis are used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated first hyperpolarizability of the title compound is 12×10(-30) esu and is 92.31 times that of the standard NLO material urea and the title compound is an attractive object for future studies of nonlinear optical properties. MEP was performed by the DFT method and the predicted infrared intensities and Raman activities have also been reported. Copyright © 2014 Elsevier B.V. All rights reserved.

Enantioselectivity of the bioconversion of chiral citronellal during the inhibition of wheat seeds germination.

PubMed

Cavalieri, Andrea; Fischer, Ravit; Larkov, Olga; Dudai, Nativ

2014-03-01

Citronellal is one of the most prominent monoterpenes present in many essential oils. Low persistence of essential oils as bioherbicides has often been addressed because of the high volatility of these compounds. Bioconversion of citronellal by wheat seeds releases less aggressive and injurious compounds as demonstrated by their diminished germination. We demonstrated that optically pure citronellal enantiomers were reduced to optically pure citronellol enantiomers with retention of the configuration both in isolated wheat embryos and endosperms. Our findings reveal the potential of essential oils as allelopathic agents providing an insight into their mechanism of action and persistence. Copyright © 2014 Verlag Helvetica Chimica Acta AG, Zürich.

Intraoral fiber optic-based diagnostic for periodontal disease

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, P W; Gutierrez, D M; Everett, M J

2000-01-21

The purpose of this initial study was to begin development of a new, objective diagnostic instrument that will allow simultaneous quantitation of multiple proteases within a single periodontal pocket using a chemical fiber optic sensor. This approach could potentially be adapted to use specific antibodies and chemiluminescence to detect and quantitate virtually any compound and compare concentrations of different compounds within the same periodontal pocket. The device could also be used to assay secretions in salivary ducts or from a variety of wounds. The applicability is, therefore, not solely limited to dentistry and the device would be important both formore » clinical diagnostics and as a research tool.« less

Optical amplification and stability of spiroquaterphenyl compounds and blends

NASA Astrophysics Data System (ADS)

Fuhrmann-Lieker, T.; Lambrecht, J.; Hoinka, N.; Kiurski, M.; Wiske, A.; Hagelstein, G.; Yurttagül, Y.; Abdel-Awwad, M.; Wilke, H.; Messow, F.; Hillmer, H.; Salbeck, J.

2015-02-01

In this contribution, we present a systematic investigation on a series of spiroquaterphenyl compounds optimised for solid state lasing in the near ultraviolet (UV). Amplified spontaneous emission (ASE) thresholds in the order of 1 μJ/cm^2 are obtained in neat (undiluted) films and blends, with emission peaks at 390±1 nm for unsubstituted and meta-substituted quaterphenyls and 400±4 nm for para-ether substituted quaterphenyls. Mixing with a transparent matrix retains a low threshold, shifts the emission to lower wavelengths and allows a better access to modes having their intensity maximum deeper in the film. Chemical design and blending allow an independent tuning of optical and processing properties such as the glass transition.

Antimicrobial and physical properties of chitosan films incorporated with turmeric extract.

PubMed

Kalaycıoğlu, Zeynep; Torlak, Emrah; Akın-Evingür, Gülşen; Özen, İlhan; Erim, F Bedia

2017-08-01

In this study, the effects of turmeric extract incorporation on the antibacterial and physical properties of the chitosan films were evaluated. Turmeric containing chitosan-based film was produced with casting procedure and cross-linked with sodium sulfate. Mechanical, optical, thermal properties, and water vapor permeability of the films were studied. The addition of turmeric to chitosan film significantly increased the tensile strength of the film and improved the ultraviolet-visible light barrier of the film. Infrared spectroscopy analysis suggested an interaction between the phenolic compounds of the extract and amin group of chitosan. Antimicrobial activity of the chitosan films was studied against Salmonella and Staphylococcus aureus by plate count agar technique and a better antimicrobial activity was observed with turmeric incorporation. Turmeric incorporated chitosan films with enhanced antimicrobial activity and film stiffness can be suggested as a promising application for food packaging. Copyright © 2017 Elsevier B.V. All rights reserved.

Occupational hygiene in terms of volatile organic compounds (VOCs) and bioaerosols at two solid waste management plants in Finland

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lehtinen, Jenni, E-mail: jenni.k.lehtinen@jyu.fi; Tolvanen, Outi; Nivukoski, Ulla

Highlights: ► Odorous VOCs: acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene. ► VOC concentrations did not exceed occupational exposure limit concentrations. ► 2,3-Butanedione as the health effecting compound is discussed. ► Endotoxin concentrations may cause health problems in waste treatment. - Abstract: Factors affecting occupational hygiene were measured at the solid waste transferring plant at Hyvinkää and at the optic separation plant in Hämeenlinna. Measurements consisted of volatile organic compounds (VOCs) and bioaerosols including microbes, dust and endotoxins. The most abundant compounds in both of the plants were aliphatic and aromatic hydrocarbons, esters of carboxylic acids, ketones and terpenes.more » In terms of odour generation, the most important emissions were acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene due to their low threshold odour concentrations. At the optic waste separation plant, limonene occurred at the highest concentration of all single compounds of identified VOCs. The concentration of any single volatile organic compound did not exceed the occupational exposure limit (OEL) concentration. However, 2,3-butanedione as a health risk compound is discussed based on recent scientific findings linking it to lung disease. Microbe and dust concentrations were low at the waste transferring plant. Only endotoxin concentrations may cause health problems; the average concentration inside the plant was 425 EU/m{sup 3} which clearly exceeded the threshold value of 90 EU/m{sup 3}. In the wheel loader cabin the endotoxin concentrations were below 1 EU/m{sup 3}. High microbial and endotoxin concentrations were measured in the processing hall at the optic waste separation plant. The average concentration of endotoxins was found to be 10,980 EU/m{sup 3}, a concentration which may cause health risks. Concentrations of viable fungi were quite high in few measurements in the control room. The most problematic factor was endotoxins whose average measured concentrations was 4853 EU/m{sup 3}.« less

Two-temperature synthesis of non-linear optical compound CdGeAs2

NASA Astrophysics Data System (ADS)

Zhu, Chongqiang; Verozubova, G. A.; Mironov, Yuri P.; Lei, Zuotao; Song, Liangcheng; Ma, Tianhui; Okunev, A. O.; Yang, Chunhui

2016-12-01

In this work, we report on a new approach to synthesize large-scale nonlinear optical chalcopyrite compound CdGeAs2 (cadmium germanium arsenide), in which the arsenic (As) precursor and the mixture of the cadmium (Cd) and the germanium (Ge) were separated in two distinct temperature-defined zones of a furnace. Through probing the intermediate product prepared at pre-set temperature points of hot-zone area, it was revealed that the ternary compound CdGeAs2 was formed through chemical reactions among Cd3As2, CdAs2, GeAs, GeAs2 and Ge. A new intermediate crystalline compound, with determined crystal parameter c=0.9139 nm and unknown a parameter, was identified when the temperature of the mixture of Cd and Ge was set to 680 °C, which, however, disappeared when the temperature was set to 770 °C, yielding pure CdGeAs2 product. Most likely, the identified new intermediate compound has layered graphite-like structure. Moreover, we show that the described two-temperature synthesis method allows us to produce near 250 g CdGeAs2 product during one run in a horizontal furnace and 500 g in a tilted horizontal furnace with rotated reactor.

Novel fluorescent contrast agents for optical imaging of in vivo tumors based on a receptor-targeted dye-peptide conjugate platform

NASA Astrophysics Data System (ADS)

Bugaj, Joseph E.; Achilefu, Samuel I.; Dorshow, Richard B.; Rajagopalan, Raghavan

2001-04-01

We have designed, synthesized, and evaluated the efficacy of novel dye-peptide conjugates that are receptor specific. Contrary to the traditional approach of conjugating dyes to large proteins and antibodies, we used small peptide-dye conjugates that target over-expressed receptors on tumors. Despite the fact that the peptide and the dye probe have similar molecular mass, our results demonstrate that the affinity of the peptide for its receptor and the dye fluorescence properties are both retained. The use of small peptides has several advantages over large biomolecules, including ease of synthesis of a variety of compounds for potential combinatorial screening of new targets, reproducibility of high purity compounds, diffusiveness to solid tumors, and the ability to incorporate a variety of functional groups that modify the pharmacokinetics of the peptide-dye conjugates. The efficacy of these new fluorescent optical contrast agents was evaluated in vivo in well-characterized rat tumor lines expressing somatostatin (sst2) and bombesin receptors. A simple continuous wave optical imaging system was employed. The resulting optical images clearly show that successful specific tumor targeting was achieved. Thus, we have demonstrated that small peptide- dye conjugates are effective as contrast agents for optical imaging of tumors.

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

NASA Astrophysics Data System (ADS)

Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

2012-11-01

Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

Influence of dust and mud on the optical, chemical, and mechanical properties of a pv protective glass

NASA Astrophysics Data System (ADS)

Yilbas, Bekir Sami.; Ali, Haider; Khaled, Mazen M.; Al-Aqeeli, Nasser; Abu-Dheir, Numan; Varanasi, Kripa K.

2015-10-01

Recent developments in climate change have increased the frequency of dust storms in the Middle East. Dust storms significantly influence the performances of solar energy harvesting systems, particularly (photovoltaic) PV systems. The characteristics of the dust and the mud formed from this dust are examined using various analytical tools, including optical, scanning electron, and atomic force microscopies, X-ray diffraction, energy spectroscopy, and Fourier transform infrared spectroscopy. The adhesion, cohesion and frictional forces present during the removal of dry mud from the glass surface are determined using a microtribometer. Alkali and alkaline earth metal compounds in the dust dissolve in water to form a chemically active solution at the glass surface. This solution modifies the texture of the glass surface, thereby increasing the microhardness and decreasing the transmittance of the incident optical radiation. The force required to remove the dry mud from the glass surface is high due to the cohesive forces that result from the dried mud solution at the interface between the mud and the glass. The ability altering the characteristics of the glass surface could address the dust/mud-related limitations of protective surfaces and has implications for efficiency enhancements in solar energy systems.

Influence of dust and mud on the optical, chemical, and mechanical properties of a pv protective glass.

PubMed

Yilbas, Bekir Sami; Ali, Haider; Khaled, Mazen M; Al-Aqeeli, Nasser; Abu-Dheir, Numan; Varanasi, Kripa K

2015-10-30

Recent developments in climate change have increased the frequency of dust storms in the Middle East. Dust storms significantly influence the performances of solar energy harvesting systems, particularly (photovoltaic) PV systems. The characteristics of the dust and the mud formed from this dust are examined using various analytical tools, including optical, scanning electron, and atomic force microscopies, X-ray diffraction, energy spectroscopy, and Fourier transform infrared spectroscopy. The adhesion, cohesion and frictional forces present during the removal of dry mud from the glass surface are determined using a microtribometer. Alkali and alkaline earth metal compounds in the dust dissolve in water to form a chemically active solution at the glass surface. This solution modifies the texture of the glass surface, thereby increasing the microhardness and decreasing the transmittance of the incident optical radiation. The force required to remove the dry mud from the glass surface is high due to the cohesive forces that result from the dried mud solution at the interface between the mud and the glass. The ability altering the characteristics of the glass surface could address the dust/mud-related limitations of protective surfaces and has implications for efficiency enhancements in solar energy systems.

Chirality transfer effects in proline-substituted coumarin compounds.

PubMed

Park, Eun-Kyung; Park, Bongjeong; Choi, Jun-Ho; Choi, Kihang; Cho, Minhaeng

2009-08-13

Conformations of proline-substituted chromophores are determined by using circular dichroism (CD) spectroscopy and quantum chemistry calculation method. Coumarin is chosen for the optical chromophore and proline amino acid is attached to its C7 position. The coumarin-proline conjugate considered contains both fluorophore and peptide linker where any polypeptides or biomolecules can be additionally connected to the free carboxyl group of the proline. Thus, the coumarin-proline is a potentially useful composite chirality-probe system for studies of protein dynamics in solution. However, detailed conformation of coumarin ring with respect to the proline ring has to be determined first. We found that there are two possible conformers, which differ from each other by the relative orientation of the coumarin ring. Comparing the measured CD spectra with the calculated ones, we directly show that only one of the two conformers is dominant in polar solvents except for water. The present study suggests that the local structure around an optical chromophore, when it is introduced to polypeptides or other biomolecules, can be studied by examining the electronic optical activity of the probe chromophore, as long as the chirality transfer from the attached amino acid to the chromophore is significantly large.

Growth, Faraday and inverse Faraday characteristics of Tb₂Ti₂O₇ crystal.

PubMed

Guo, Feiyun; Sun, Yilin; Yang, Xiongsheng; Chen, Xin; Zhao, Bin; Zhuang, Naifeng; Chen, Jianzhong

2016-03-21

Tb₂Ti₂O₇ (TTO) single crystal with dimensions of 20 × 20 × 16 mm³ was grown by the Czochralski method. Rietveld structure refinement of X-ray diffraction (XRD) data confirms that the compound crystallizes in the cubic system with pyrochlore structure. Transmission spectra, Magnetic circular dichroism (MCD) spectra, Faraday and inverse Faraday characteristics of TTO crystal have been measured and analyzed in detail. The results demonstrate that TTO crystal has high transmittance at 700-1400 nm waveband and a larger Verdat constant than that of TGG reported. Magnetic circular dichroism (MCD) spectra showed that the 4f→4f transitions of Tb³⁺ have significant contributions to the magneto-optical activity (MOA). In the time-resolved pump-probe spectroscopy, the rotation signals of the probe beam based on the inverse Faraday effect in magneto-optical crystal were observed at zero time delay, the full width at half maximum of the rotation and ellipticity signals can be as fast as ~500 fs, which indicates that TTO crystal can be a promising material for ultrafast all-optical magnetic switching.

Portable spotter for fluorescent contaminants on surfaces

DOEpatents

Schuresko, Daniel D.

1980-01-01

A portable fluorescence-based spotter for polynuclear aromatic hydrocarbon contamination on personnel and work area surfaces under ambient lighting conditions is provided. This instrument employs beam modulation and phase sensitive detection for discriminating between fluorescence from organic materials from reflected background light and inorganic fluorescent material. The device uses excitation and emission filters to provide differentiation between classes of aromatic organic compounds. Certain inorganic fluorescent materials, including heavy metal compounds, may also be distinguished from the organic compounds, despite both having similar optical properties.

Application of organic compounds for high-order harmonic generation of ultrashort pulses

NASA Astrophysics Data System (ADS)

Ganeev, R. A.

2016-02-01

The studies of the high-order nonlinear optical properties of a few organic compounds (polyvinyl alcohol, polyethylene, sugar, coffee, and leaf) are reported. Harmonic generation in the laser-produced plasmas containing the molecules and large particles of above materials is demonstrated. These studies showed that the harmonic distributions and harmonic cutoffs from organic compound plasmas were similar to those from the graphite ablation. The characteristic feature of observed harmonic spectra was the presence of bluesided lobes near the lower-order harmonics.

Field results of antifouling techniques for optical instruments

USGS Publications Warehouse

Strahle, W.J.; Hotchkiss, F.S.; Martini, Marinna A.

1998-01-01

An anti-fouling technique is developed for the protection of optical instruments from biofouling which leaches a bromide compound into a sample chamber and pumps new water into the chamber prior to measurement. The primary advantage of using bromide is that it is less toxic than the metal-based antifoulants. The drawback of the bromide technique is also discussed.

Compound parabolic concentrator with cavity for tubular absorbers

DOEpatents

Winston, Roland

1983-01-01

A compond parabolic concentrator with a V-shaped cavity is provided in which an optical receiver is emplaced. The cavity redirects all energy entering between the receiver and the cavity structure onto the receiver, if the optical receiver is emplaced a distance from the cavity not greater than 0.27 r (where r is the radius of the receiver).

Preparation and characterization of new biologically active polyurethane foams.

PubMed

Savelyev, Yuri; Veselov, Vitali; Markovskaya, Ludmila; Savelyeva, Olga; Akhranovich, Elena; Galatenko, Natalya; Robota, Ludmila; Travinskaya, Tamara

2014-12-01

Biologically active polyurethane foams are the fast-developed alternative to many applications of biomedical materials. Due to the polyurethane structure features and foam technology it is possible to incorporate into their structure the biologically active compounds of target purpose via structural-chemical modification of macromolecule. A series of new biologically active polyurethane foams (PUFs) was synthesized with polyethers (MM 2500-5000), polyesters MM (500-2200), 2,4(2,6) toluene diisocyanate, water as a foaming agent, catalysts, foam stabilizers and functional compounds. Different functional compounds: 1,4-di-N-oxy-2,3-bis-(oxymethyl)-quinoxaline (DOMQ), partial sodium salt of poly(acrylic acid) and 2,6-dimethyl-N,N-diethyl aminoacetatanilide hydrochloride were incorporated into the polymer structure/composition due to the chemical and/or physical bonding. Structural peculiarities of PUFs were studied by FTIR spectroscopy and X-ray scattering. Self-adhesion properties of PUFs were estimated by measuring of tensile strength at break of adhesive junction. The optical microscopy method was performed for the PUF morphology studies. Toxicological estimation of the PUFs was carried out in vitro and in vivo. The antibacterial action towards the Gram-positive and Gram-negative bacteria (Escherichia coli ATC 25922, E. coli ATC 2150, Klebsiella pneumoniae 6447, Staphylococcus aureus 180, Pseudomonas aeruginosa 8180, Proteus mirabilis F 403, P. mirabilis 6054, and Proteus vulgaris 8718) was studied by the disc method on the solid nutrient. Physic-chemical properties of the PUFs (density, tensile strength and elongation at break, water absorption and vapor permeability) showed that all studied PUFs are within the operational requirements for such materials and represent fine-cellular foams. Spectral studies confirmed the incorporation of DOMQ into the PUF's macrochain. PUFs are characterized by microheterogeneous structure. They are antibacterially active, non-toxic materials with high affinity to the tissue body, self-adhesive properties and local anesthetic effect. Copyright © 2014 Elsevier B.V. All rights reserved.

Ronchi test for characterization of X-ray nanofocusing optics and beamlines.

PubMed

Uhlén, Fredrik; Rahomäki, Jussi; Nilsson, Daniel; Seiboth, Frank; Sanz, Claude; Wagner, Ulrich; Rau, Christoph; Schroer, Christian G; Vogt, Ulrich

2014-09-01

A Ronchi interferometer for hard X-rays is reported in order to characterize the performance of the nanofocusing optics as well as the beamline stability. Characteristic interference fringes yield qualitative data on present aberrations in the optics. Moreover, the visibility of the fringes on the detector gives information on the degree of spatial coherence in the beamline. This enables the possibility to detect sources of instabilities in the beamline like vibrations of components or temperature drift. Examples are shown for two different nanofocusing hard X-ray optics: a compound refractive lens and a zone plate.

New spiral γ-lactone enantiomers from the plant endophytic fungus Pestalotiopsis foedan.

PubMed

Yang, Xiao-Long; Li, Zhuang-Zhuang

2013-02-11

(-)-(4S, 8S)-Foedanolide (1a) and (+)-(4R, 8R)-foedanolide (1b), a pair of new spiro-γ-lactone enantiomers, were isolated from the fermentation broth of the plant endophytic fungus Pestalotiopsis foedan by HPLC using a chiral column, achieving over 7% ee. Their structures and absolute configurations were determined on the basis of extensive analysis of NMR spectra combined with computational methods via calculation of the electronic circular dichroism (ECD) and optical rotation (OR). Compounds 1a and 1b showed moderate activities against HeLa, A-549, U-251, HepG2 and MCF-7 tumor cell lines.

Chemical evolution and the origin of life; Proceedings of the Third International Conference, Pont-a-Mousson, France, April 19-25, 1970. Volume 1 - Molecular evolution.

NASA Technical Reports Server (NTRS)

Buvet, R. (Editor); Ponnamperuma, C.

1971-01-01

The present state of investigations on the origin of life is surveyed together with the current state of molecular paleontology. General and theoretical subjects discussed include an energetic approach to prebiological chemistry, the recognition of description and function in chemical reaction networks, and the origin and development of optical activity of bio-organic compounds on the primordial earth. Other fields considered are the syntheses of small molecules, oligomers and polymers; photochemical processes; the origin of biological structures; primitive biochemistry and biology; and exobiology. Individual items are abstracted in this issue.

Infrared neural stimulation (INS) inhibits electrically evoked neural responses in the deaf white cat

NASA Astrophysics Data System (ADS)

Richter, Claus-Peter; Rajguru, Suhrud M.; Robinson, Alan; Young, Hunter K.

2014-03-01

Infrared neural stimulation (INS) has been used in the past to evoke neural activity from hearing and partially deaf animals. All the responses were excitatory. In Aplysia californica, Duke and coworkers demonstrated that INS also inhibits neural responses [1], which similar observations were made in the vestibular system [2, 3]. In deaf white cats that have cochleae with largely reduced spiral ganglion neuron counts and a significant degeneration of the organ of Corti, no cochlear compound action potentials could be observed during INS alone. However, the combined electrical and optical stimulation demonstrated inhibitory responses during irradiation with infrared light.

Influence of Donor on the Sensing Performance of a Series of Through-Bond Energy Transfer-Based Two-photon Fluorescent Cu(2+) Probes.

PubMed

Zhang, Yu-Jin; Wang, Xin; Zhou, Yong; Wang, Chuan-Kui

2016-07-01

Optical properties of a series of molecular two-photon fluorescent Cu(2+) probes containing the same acceptor (rhodamine group) are analyzed using time-dependent density functional theory in combination with analytical response theory. Special emphasis is placed on evolution of the probes' optical properties in the presence of Cu(2+) . In this study, the compound with naphthalene as the donor is shown to be excellent ratiometric fluorescent chemosensor, whereas the compound with quinoline derivative as the donor shows off/on-typed colorimetric fluorescent response. For the compound with naphthalimide derivative as the donor, changing the connection between the donor and acceptor can efficiently prevent the fluorescent quenching of the probe both in the absence and presence of Cu(2+) . The donor moiety and the connection between donor and acceptor are thus found to play dominant roles on sensing performance of these probes. Moreover, distributions of molecular orbitals involved in the excitation and emission of the probes are analyzed to explore responsive mechanism of the probes. The through-bond energy transfer process is theoretically demonstrated. Our results are used to elucidate the available experimental measurements. This work is helpful to understand the relationships of structure with optical properties for the studied probes. © 2016 The American Society of Photobiology.

Hygroscopicity and volatility of semi-volatile organic components in optical levitated single organic/inorganic aqueous aerosol droplet

NASA Astrophysics Data System (ADS)

Cai, C.; Zhao, C.

2017-12-01

Quantifying the gas/particle partitioning of organic compounds is of great significance to the understanding of atmospheric aerosol indirect effect. Accurate determination of the hygroscopicities and vapor pressures of semi-volatile organic compounds (SVOC) is of crucial importance in studying their partitioning behavior into atmospheric aerosol, as current published vapor pressures results of compounds of interest (usually with vapor pressures smaller than 0.01 Pa) vary by several orders of magnitude. On the other hand, influences on SVOCs evaporation from participation of inorganic species remains ambiguous. In this study we present quantitative investigation of hygroscopicities and volatilities of single aerosol droplets in an aerosol optical tweezers. The trapped droplet (3-7 µm radii) in the aerosol optical tweezers acts as a micro cavity, which stimulates the cavity enhanced Raman spectroscopy (CERS) signal. Size and composition of the particle are calculated from Mie fit to the positions of the "whispering gallery modes" in the CERS fingerprint. Hygroscopic behaviors and SVOC pure component vapor pressure can then be extracted from the correlation between the changing droplet radius and solute concentration (derived from experimentally determined RI real part). We will further present the influences between mass transfer on the gas-particle interface and within the droplet.

Structural, vibrational, DFT and optical studies of a new non-centrosymmetric hybrid material (C4H12N2)[CoBr4

NASA Astrophysics Data System (ADS)

Tllili, Hafsia; Walha, Sandra; Elleuch, Slim; Fares Ali, Basem; Naïli, Houcine

2018-01-01

The crystals of the new organic-inorganic material (C4H12N2)[CoBr4] were grown by slow evaporation technique in aqueous solution and characterized by X-ray diffraction, infrared absorption, Raman spectroscopy scattering and thermal analysis. It crystallizes at room temperature in the non-centrosymmetric space group P212121. The structure is built from isolated [CoBr4]2- anions and piperazinediium (C4H12N2)2+ cations which are connected by a network of Nsbnd H⋯Br hydrogen bonds. Theoretical calculations were performed using density functional theory with the B3LYP/LanL2DZ level for studying the molecular structure and vibrational spectra of the title compound. TDDFT calculations at the same level of theory was undertaken to investigate the electronic properties. Good adhesion is observed between calculated and experimental results. The optical study reveals that the title compound undergoes three optical absorption bands at 641, 666 and 698 nm, respectively with an energy gap estimated to 2.23 eV. Based upon this value and the non-centrosymetric character of the structure, the title compound may show several interesting applications in the field of optoelectronics.

Impact of the charge density wave state in the electrodynamic response of ZrTe3 -xSex : Optical evidence for a pseudogap phase

NASA Astrophysics Data System (ADS)

Chinotti, M.; Ethiraj, J.; Mirri, C.; Zhu, Xiangde; Li, Lijun; Petrovic, C.; Degiorgi, L.

2018-01-01

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe3 -xSex at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, which images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.

Application of proanthocyanidins from peanut skins as a natural yeast inhibitory agent.

PubMed

Sarnoski, Paul J; Boyer, Renee R; O'Keefe, Sean F

2012-04-01

Proanthocyanidins were extracted from peanut skins and investigated for their antimicrobial activity against Saccharomyces cerevisiae, Zygosaccharomyces bailii, and Zygosaccharomyces bisporus in traditional growth media (Sabouraud Dextrose and Maltose broth) and a simulated apple juice beverage. Peanut skins extracts (PSE) were prepared through a multisolvent extraction procedure. The PSE extended the lag phase growth of the 3 yeasts studied at a concentration of 1 mg/mL and at 10 mg/mL yeast growth was totally inhibited for 120 h. PSE was fractionated by normal phase high performance liquid chromatography and the active components/fractions were determined. Compounds present in the fractions were identified by liquid chromatography-mass spectrometry to determine the compounds responsible for inhibition. Fractions consisting mostly of A-type proanthocyanidin dimers, trimers, and tetramers showed the highest percent inhibition toward the yeasts tested in this study. Both optical density (OD) and standard enumeration plating methods were performed in this study. The OD method led to an overestimation of the inhibitory effects of PSE, the 2 methods agreed in respect to treatment effects but not the severity of the inhibition. There is a growing consumer demand for "fresh like" products containing reduced amounts of chemical preservatives without compromising food safety and quality. Therefore, the goal of this study was to determine if an extract of peanut skins containing flavonoid rich compounds could function as a natural antimicrobial in a model beverage system. Proteins were removed through the process of producing the peanut skin extract, thus it is unlikely to contain peanut allergens. The antimicrobial compounds mentioned in this study were successfully integrated into a model beverage system, and were found to have antimicrobial effect. However, the incorporation of these compounds would likely lead to negative sensory attributes at the concentration needed to achieve an appreciable antimicrobial effect alone. © 2012 Institute of Food Technologists®

Synthesis, molecular structure, Hirshfeld surface, spectral investigations and molecular docking study of 3-(5-bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) by DFT method

NASA Astrophysics Data System (ADS)

Sathish, M.; Meenakshi, G.; Xavier, S.; Sebastian, S.; Periandy, S.; Ahmad, NoorAisyah; Jamalis, Joazaizulfazli; Rosli, MohdMustaqim; Fun, Hoong-Kun

2018-07-01

The 3-(5-Bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) (BTFA) was synthesized from condensation of thiophenechalcone (1) and hydrazine hydrate. The compound was characterized by FT-IR, 1H and 13C NMR. Crystal structure of this compound was determined using X-ray diffraction technique. The data of the geometry is compared with the optimized structure of the compound obtained using B3LYP functional with 6-311++G (d,p) basis set. The fundamental modes of vibrations are assigned using VEDA software with the PED assignments, and compared with data obtained from theoretical methods. The deviations are widely discussed and analyzed. The intermolecular interaction of the crystal structure was analyzed using Hirshfeld and fingerprint analysis. The chemical shift of the NMR for 13C and 1H are observed and computational data are computed using Gauge independent atomic orbital (GIAO) using B3LYP/6-311++G (d,p). The electronic and optical properties like absorption of wavelengths, excitation energy, dipole moment and frontier molecular orbital energies are computed with TD-SCF method using the above theoretical method. The antiviral nature of the molecule is also analyzed and the compound is docked in non-small cell lung cancer and human collapsin response mediator protein-1study exhibits its activity.

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

NASA Astrophysics Data System (ADS)

Menon, Vidya V.; Fazal, Edakot; Mary, Y. Sheena; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Nagarajan, Subban; Van Alsenoy, C.

2017-01-01

The FT-IR and FT-Raman spectra of the synthesized compound, 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate is recorded and analyzed. Optimized molecular structure, wave numbers, corresponding assignments regarding 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate has become screened tentatively as well as hypothetically using Gaussian09 program package. Natural bonding orbital assessment has been completed with a reason to clarify charge transfer or conjugative interaction, the intra-molecular re-hybridization and delocalization of electron density within the molecule. The NMR spectral assessment had been made choosing structure property relationship by chemical shifts along with the magnetic shielding effects regarding the title compound. The first and second hyperpolarizabilities were calculated. The calculated first order hyperpolarizability is commensurate with the documented worth of very similar derivatives and could be an interesting object for more experiments on nonlinear optics. Local reactivity properties have been investigated using average local ionization energies and Fukui functions. Investigation of optoelectronic properties encompassed calculations of reorganization energies and hopping rates of charge carriers within the framework of Marcus semi-empiric approach. The docked ligand title compound forms a stable complex with CDK inhibitors and gives a binding affinity value of -9.7 kcal/mol and molecular docking results suggest that the compound might exhibit inhibitory activity against CDK inhibitors.

Active optical zoom system

DOEpatents

Wick, David V.

2005-12-20

An active optical zoom system changes the magnification (or effective focal length) of an optical imaging system by utilizing two or more active optics in a conventional optical system. The system can create relatively large changes in system magnification with very small changes in the focal lengths of individual active elements by leveraging the optical power of the conventional optical elements (e.g., passive lenses and mirrors) surrounding the active optics. The active optics serve primarily as variable focal-length lenses or mirrors, although adding other aberrations enables increased utility. The active optics can either be LC SLMs, used in a transmissive optical zoom system, or DMs, used in a reflective optical zoom system. By appropriately designing the optical system, the variable focal-length lenses or mirrors can provide the flexibility necessary to change the overall system focal length (i.e., effective focal length), and therefore magnification, that is normally accomplished with mechanical motion in conventional zoom lenses. The active optics can provide additional flexibility by allowing magnification to occur anywhere within the FOV of the system, not just on-axis as in a conventional system.

Replication and characterization of the compound eye of a fruit fly for imaging purpose

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Hefu; University of Chinese Academy of Sciences, Beijing 10039; Gong, Xianwei

In this work, we report the replication and characterization of the compound eye of a fruit fly for imaging purpose. In the replication, soft lithography method was employed to replicate the compound eye of a fruit fly into a UV-curable polymer. The method was demonstrated to be effective and the compound eye is replicated into the polymer (NOA78) where each ommatidium has a diameter of about 30 μm and a sag height of about 7 μm. To characterize its optical property, the point spread function of the compound eye was tested and a NA of 0.386 has been obtained for the replicatedmore » polymeric ommatidium. Comparing with the NA of a real fruit fly ommatidium which was measured to be about 0.212, the replicated polymeric ommatidium has a much larger NA due to the refractive index of NOA78 is much higher than that of the material used to form the real fruit fly ommatidium. Furthermore, the replicated compound eye was used to image a photomask patterned with grating structures to test its imaging property. It is shown that the grating with a line width of 20 μm can be clearly imaged. The image of the grating formed by the replicated compound eye was shrunk by about 10 times and therefore a line width of about 2.2 μm in the image plane has been obtained, which is close to the diffraction limited resolution calculated through the measured NA. In summary, the replication method demonstrated is effective and the replicated compound eye has the great potential in optical imaging.« less

Microbial and chemical transformation studies of the bioactive marine sesquiterpenes (S)-(+)-curcuphenol and -curcudiol isolated from a deep reef collection of the Jamaican sponge Didiscus oxeata.

PubMed

El Sayed, Khalid A; Yousaf, Muhammad; Hamann, Mark T; Avery, Mitchell A; Kelly, Michelle; Wipf, Peter

2002-11-01

Microbial and chemical transformation studies of the marine sesquiterpene phenols (S)-(+)-curcuphenol (1) and (S)-(+)-curcudiol (2), isolated from the Jamaican sponge Didiscus oxeata, were accomplished. Preparative-scale fermentation of 1 with Kluyveromyces marxianus var. lactis (ATCC 2628) has resulted in the isolation of six new metabolites: (S)-(+)-15-hydroxycurcuphenol (3), (S)-(+)-12-hydroxycurcuphenol (4), (S)-(+)-12,15-dihydroxycurcuphenol (5), (S)-(+)-15-hydroxycurcuphenol-12-al (6), (S)-(+)-12-carboxy-10,11-dihydrocurcuphenol (7), and (S)-(+)-12-hydroxy-10,11-dihydrocurcuphenol (8). Fourteen-days incubation of 1 with Aspergillus alliaceus (NRRL 315) afforded the new compounds (S)-(+)-10beta-hydroxycurcudiol (9), (S)-(+)-curcudiol-10-one (10), and (S)-(+)-4-[1-(2-hydroxy-4-methyl)phenyl)]pentanoic acid (11). Rhizopus arrhizus (ATCC 11145) and Rhodotorula glutinus (ATCC 15125) afforded (S)-curcuphenol-1alpha-D-glucopyranoside (12) and (S)-curcudiol-1alpha-D-glucopyranoside (13) when incubated for 6 and 8 days with 1 and 2, respectively. The absolute configuration of C(10) and C(11) of metabolites 7-9 was established by optical rotation computations. Reaction of 1 with NaNO(2) and HCl afforded (S)-(+)-4-nitrocurcuphenol (14) and (S)-(+)-2-nitrocurcuphenol (15) in a 2:1 ratio. Acylation of 1 and 2 with isonicotinoyl chloride afforded the expected esters (S)-(+)-curcuphenol-1-O-isonicotinate (16) and (S)-(+)-curcudiol-1-O-isonicotinate (17), respectively. Curcuphenol (1) shows potent antimicrobial activity against Candida albicans, Cryptococcus neoformans, methicillin-resistant Staphylococcus aureus, and S. aureus with MIC and MFC/MBC ranges of 7.5-25 and 12.5-50 microg/mL, respectively. Compounds 1 and 3 also display in vitro antimalarial activity against Palsmodium falciparium (D6 clone) with MIC values of 3600 and 3800 ng/mL, respectively (selectivity index >1.3). Both compounds were also active against P. falciparium (W2 clone) with MIC values of 1800 (S.I. >2.6) and 2900 (S.I. >1.6) ng/mL, respectively. Compound 14 shows anti-hepatitis B virus activity with an EC(50) of 61 microg/mL.

Alterations in the stereochemistry of the kappa-selective opioid agonist U50,488 result in high-affinity sigma ligands.

PubMed

de Costa, B R; Bowen, W D; Hellewell, S B; George, C; Rothman, R B; Reid, A A; Walker, J M; Jacobson, A E; Rice, K C

1989-08-01

The synthesis and in vitro sigma receptor activity of the two diastereomers of U50,488 [(+/-)-2], namely, (1R,2S)-(+)- cis-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacet ami de [(+)-1] and (1S,2R)-(-)-cis-3,4-dichloro- N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide [(-)-1], are described. (+)-1 and (-)-1 were synthesized from (+/-)-trans-N-methyl-2-aminocyclohexanol [(+/-)-3]. Pyridinium chlorochromate (PCC) oxidation of the N-t-Boc-protected derivative of (+/-)-3 afforded (+/-)-2-[N- [(tert-butyloxy)carbonyl]-N-methylamino]cyclohexanone [(+/-)-5]. The sequence of enamine formation with pyrrolidine, catalytic reduction, N-deprotection, and optical resolution afforded (1R,2S)-(-)-cis-2-pyrrolidinyl-N-methylcyclohexylamine [(-)-10] and (1S,2R)-(+)-cis-2-pyrrolidinyl-N-methylcyclohexylamine [(+)-10]. The optical purity (greater than 99.5%) of (-)-10 and (+)-10 was determined by HPLC analysis of the diastereomeric ureas formed by reaction with optically pure (R)-alpha-methylbenzyl isocyanate. The absolute configuration of (-)-10 and (+)-10 was determined by single-crystal X-ray diffractometry of the bis-(R)-mandelate salt. Condensation of optically pure (-)-10 and (+)-10 with 3,4-dichlorophenylacetic acid furnished (+)-1 and (-)-1, respectively. Compounds (+)-1, (-)-1, (-)-2, and (+)-2 were compared for their binding affinities at kappa opioid, sigma, D2-dopamine, and phencyclidine (PCP) receptors in competitive binding assays using [3H]bremazocine ([3H]BREM) or [3H]U69,593, [3H]-(+)-3-(3-hydroxyphenyl)-N-(1-propyl)piperidine [[3H]-(+)-3-PPP], or [3H]-1,3-di(o-tolyl)guanidine ([3H]DTG), [3H]-(-)-sulpiride [[3H]-(-)SULP], and [3H]-1- [1-(2-thienyl)cyclohexyl]piperidine ([3H]TCP), respectively. In the systems examined, (-)-2 exhibited the highest affinity for kappa receptors, with a Ki of 44 +/- 8 nM. However, (-)-2 also showed moderate affinity for sigma receptors, with a Ki of 594 +/- 3 nM [[3H]-(+)-3-PPP]. The (1R,2R)-(+)-enantiomer, (+)-2, had low affinity for both kappa and sigma receptors, exhibiting Ki values of 1298 +/- 49 nM at kappa ([3H]BREM) and 1270 +/- 168 nM at sigma [[3H]-(+)-3-PPP]. In contrast, the chiral cis compounds (+)-1 and (-)-1 showed high affinity for sigma receptors and negligible affinity for kappa opioid receptors in the [3H]BREM assay. Compound (-)-1 exhibited a Ki of 81 +/- 13 nM at sigma receptors [[3H]-(+)-3-PPP] and 250 +/- 8 nM ([3H]DTG).(ABSTRACT TRUNCATED AT 400 WORDS)

Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-(3-chlorophenyl)prop-2-enoic anhydride based on density functional theory calculations.

PubMed

Mary, Y Sheena; Raju, K; Panicker, C Yohannan; Al-Saadi, Abdulaziz A; Thiemann, Thies

2014-10-15

The conformational behavior and structural stability of (2E)-3-(3-chlorophenyl)prop-2-enoic anhydride were investigated by using density functional theory. The optimized molecular structure, vibrational wavenumbers, corresponding vibrational assignments of (2E)-3-(3-chlorophenyl)prop-2-enoic anhydride have been investigated experimentally and theoretically. The HOMO and LUMO analysis are used to determine the charge transfer within the molecule. The stability of the molecule arising from hyperconjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated first hyperpolarizability of the title compound is 15.8×10(-30)esu, and is 121.54 times that of the standard NLO material urea and the title compound is an attractive object for future studies of nonlinear optical properties. MEP was performed by the DFT method and the predicted infrared intensities and Raman activities have also been reported. Copyright © 2014 Elsevier B.V. All rights reserved.

The Origin of Life from the Astrophysical Point of View

NASA Astrophysics Data System (ADS)

Yeghikyan, Ararat

2017-11-01

Тhe problem of the origin of life is discussed from the astrophysical point of view. Most biologists and geologists up to the present time believe that Life was originated on the Earth in some initial natural chemical pre-reactors, where a mixture of water, ammonia, methane containing species and some other substances, under the influence of an energy source like, e.g. lightning, turned into quite complex compounds such as amino acids and complex hydrocarbons. In fact, under conditions of the primordial Earth, it is not possible to obtain such pre-biological molecules by a-bio-chemical methods, as discussed in this lecture. Instead, an astrophysical view of the problem of the origin of life on the Earth is proposed and it is recalled that the biological evolution on the Earth was preceded by the chemical evolution of complex chemical compounds, mostly under extraterrestrial conditions, where it is only possible to form optically active amino acids, sugars and hydrocarbon is necessary for constructing the first pre-biomolecules .

Synthesis, crystal structure, photophysical properties and theoretical studies of a novel bis(phenylisoxazolyl) benzene derivative

NASA Astrophysics Data System (ADS)

de Brito, A. C. F.; Correa, R. S.; Pinto, A. A.; Matos, M. J. S.; Tenorio, J. C.; Taylor, J. G.; Cazati, T.

2018-07-01

Isoxazoles have well established biological activities but, have been underexplored as synthetic intermediates for applications in materials science. The aims of this work are to synthesis a novel isoxazole and analyze its structural and photophysical properties for application in electronic organic materials. The novel bis (phenylisoxazolyl) benzene compound was synthesized in four steps and characterized by NMR, high resolution mass spectrometry, differential thermal analysis, infrared spectroscopy, cyclic voltammetry, ultraviolet-visible spectroscopy, fluorescence spectroscopy, DFT and TDDFT calculations. The molecule presented optical absorption in the ultraviolet region (from 290 nm to 330 nm), with maximum absorption length centered at 306 nm. The molar extinction coefficients (ε), fluorescence emission spectra and quantum efficiencies in chloroform and dimethylformamide solution were determined. Cyclic voltammetry analysis was carried out for estimating the HOMO energy level and these properties make it desirable material for photovoltaic device applications. Finally, the excited-state properties of present compound were calculated by time-dependent density functional theory (TDDFT).

HPLC of fluoroquinolone antibacterials using chiral stationary phase based on enantiomeric (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6.

PubMed

Choi, Hee Jung; Cho, Hwan Sun; Han, Sang Cheol; Hyun, Myung Ho

2009-02-01

A residual silanol group-protecting chiral stationary phase (CSP) based on optically active (3,3'-diphenyl-1,1'-binaphthyl)-20-crown-6 was successfully applied to the resolution of fluoroquinolone compounds including gemifloxacin mesylate. The chiral recognition ability of the residual silanol group-protecting CSP was generally greater than that of the residual silanol group-containing CSP. From these results, it was concluded that the simple protection of the residual silanol groups of the latter CSP with lipophilic n-octyl groups can improve its chiral recognition ability for the resolution of racemic fluoroquinolone compounds. The chromatographic resolution behaviors were investigated as a function of the content and type of organic and acidic modifiers and the ammonium acetate concentration in aqueous mobile phase and the column temperature. Especially, the addition of ammonium acetate to the mobile phase was found to be a quite effective means of reducing the enantiomer retentions without sacrificing the chiral recognition efficiency of the CSP.

Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations.

PubMed

Sosso, Gabriele C; Miceli, Giacomo; Caravati, Sebastiano; Giberti, Federico; Behler, Jörg; Bernasconi, Marco

2013-12-19

Phase change materials are of great interest as active layers in rewritable optical disks and novel electronic nonvolatile memories. These applications rest on a fast and reversible transformation between the amorphous and crystalline phases upon heating, taking place on the nanosecond time scale. In this work, we investigate the microscopic origin of the fast crystallization process by means of large-scale molecular dynamics simulations of the phase change compound GeTe. To this end, we use an interatomic potential generated from a Neural Network fitting of a large database of ab initio energies. We demonstrate that in the temperature range of the programming protocols of the electronic memories (500-700 K), nucleation of the crystal in the supercooled liquid is not rate-limiting. In this temperature range, the growth of supercritical nuclei is very fast because of a large atomic mobility, which is, in turn, the consequence of the high fragility of the supercooled liquid and the associated breakdown of the Stokes-Einstein relation between viscosity and diffusivity.

Spectral imaging of chemical compounds using multivariate optically enhanced filters integrated with InGaAs VGA cameras

NASA Astrophysics Data System (ADS)

Priore, Ryan J.; Jacksen, Niels

2016-05-01

Infrared hyperspectral imagers (HSI) have been fielded for the detection of hazardous chemical and biological compounds, tag detection (friend versus foe detection) and other defense critical sensing missions over the last two decades. Low Size/Weight/Power/Cost (SWaPc) methods of identification of chemical compounds spectroscopy has been a long term goal for hand held applications. We describe a new HSI concept for low cost / high performance InGaAs SWIR camera chemical identification for military, security, industrial and commercial end user applications. Multivariate Optical Elements (MOEs) are thin-film devices that encode a broadband, spectroscopic pattern allowing a simple broadband detector to generate a highly sensitive and specific detection for a target analyte. MOEs can be matched 1:1 to a discrete analyte or class prediction. Additionally, MOE filter sets are capable of sensing an orthogonal projection of the original sparse spectroscopic space enabling a small set of MOEs to discriminate a multitude of target analytes. This paper identifies algorithms and broadband optical filter designs that have been demonstrated to identify chemical compounds using high performance InGaAs VGA detectors. It shows how some of the initial models have been reduced to simple spectral designs and tested to produce positive identification of such chemicals. We also are developing pixilated MOE compressed detection sensors for the detection of a multitude of chemical targets in challenging backgrounds/environments for both commercial and defense/security applications. This MOE based, real-time HSI sensor will exhibit superior sensitivity and specificity as compared to currently fielded HSI systems.

2-Pyridinium propanol hydrogen squarate: experimental and computational study of a nonlinear optical material.

PubMed

Korkmaz, Ufuk; Bulut, Ahmet

2015-02-05

The experimental and theoretical investigation of a novel organic nonlinear optical (NLO) squarate salt of 2-pyridinium propanol hydrogen squarate (1), C8H12ON(+)·C4HO4(-), were reported in this study. The crystal structure of the title compound was found to crystallize in the triclinic P-1 space group. In the asymmetric unit each squaric acid molecules have donated one H atom to the pyridines N1 and N2 atoms of a 2-pyridine propanol molecule, forming the salt (1). The X-ray analysis clearly indicated that the crystal packing has shown the hydrogen bonding ring pattern of D2(2)(10) (α-dimer) through N-H⋯O interactions. The structural and vibrational properties of the compound were also studied by computational methods of ab initio performed on the compound at DFT/B3LYP/6-31++G(d,p) (2) and HF/6-31++G(d,p) (3) level of theory. The calculation results on the basis of two models for both the optimized molecular structure and vibrational properties for the 1 are presented and compared with the X-ray analysis result. The molecular electrostatic potential (MEP), electronic absorption spectra, frontier molecular orbitals (FMOs), conformational flexibility and non-linear optical properties (NLO) of the title compound were also studied at the 2 level and the results are reported. In order to evaluate the suitability for NLO applications thermal analysis (TG, DTA and DTG) data of 1 were also obtained. Copyright © 2014 Elsevier B.V. All rights reserved.

Disposable Polydimethylsiloxane (PDMS)-Coated Fused Silica Optical Fibers for Sampling Pheromones of Moths.

PubMed

Lievers, Rik; Groot, Astrid T

2016-01-01

In the past decades, the sex pheromone composition in female moths has been analyzed by different methods, ranging from volatile collections to gland extractions, which all have some disadvantage: volatile collections can generally only be conducted on (small) groups of females to detect the minor pheromone compounds, whereas gland extractions are destructive. Direct-contact SPME overcomes some of these disadvantages, but is expensive, the SPME fiber coating can be damaged due to repeated usage, and samples need to be analyzed relatively quickly after sampling. In this study, we assessed the suitability of cheap and disposable fused silica optical fibers coated with 100 μm polydimethylsiloxane (PDMS) by sampling the pheromone of two noctuid moths, Heliothis virescens and Heliothis subflexa. By rubbing the disposable PDMS fibers over the pheromone glands of females that had called for at least 15 minutes and subsequently extracting the PDMS fibers in hexane, we collected all known pheromone compounds, and we found a strong positive correlation for most pheromone compounds between the disposable PDMS fiber rubs and the corresponding gland extracts of the same females. When comparing this method to volatile collections and the corresponding gland extracts, we generally found comparable percentages between the three techniques, with some differences that likely stem from the chemical properties of the individual pheromone compounds. Hexane extraction of cheap, disposable, PDMS coated fused silica optical fibers allows for sampling large quantities of individual females in a short time, eliminates the need for immediate sample analysis, and enables to use the same sample for multiple chemical analyses.

Disposable Polydimethylsiloxane (PDMS)-Coated Fused Silica Optical Fibers for Sampling Pheromones of Moths

PubMed Central

Lievers, Rik; Groot, Astrid T.

2016-01-01

In the past decades, the sex pheromone composition in female moths has been analyzed by different methods, ranging from volatile collections to gland extractions, which all have some disadvantage: volatile collections can generally only be conducted on (small) groups of females to detect the minor pheromone compounds, whereas gland extractions are destructive. Direct-contact SPME overcomes some of these disadvantages, but is expensive, the SPME fiber coating can be damaged due to repeated usage, and samples need to be analyzed relatively quickly after sampling. In this study, we assessed the suitability of cheap and disposable fused silica optical fibers coated with 100 μm polydimethylsiloxane (PDMS) by sampling the pheromone of two noctuid moths, Heliothis virescens and Heliothis subflexa. By rubbing the disposable PDMS fibers over the pheromone glands of females that had called for at least 15 minutes and subsequently extracting the PDMS fibers in hexane, we collected all known pheromone compounds, and we found a strong positive correlation for most pheromone compounds between the disposable PDMS fiber rubs and the corresponding gland extracts of the same females. When comparing this method to volatile collections and the corresponding gland extracts, we generally found comparable percentages between the three techniques, with some differences that likely stem from the chemical properties of the individual pheromone compounds. Hexane extraction of cheap, disposable, PDMS coated fused silica optical fibers allows for sampling large quantities of individual females in a short time, eliminates the need for immediate sample analysis, and enables to use the same sample for multiple chemical analyses. PMID:27533064

Bio-inspired multi-mode optic flow sensors for micro air vehicles

NASA Astrophysics Data System (ADS)

Park, Seokjun; Choi, Jaehyuk; Cho, Jihyun; Yoon, Euisik

2013-06-01

Monitoring wide-field surrounding information is essential for vision-based autonomous navigation in micro-air-vehicles (MAV). Our image-cube (iCube) module, which consists of multiple sensors that are facing different angles in 3-D space, can be applied to the wide-field of view optic flows estimation (μ-Compound eyes) and to attitude control (μ- Ocelli) in the Micro Autonomous Systems and Technology (MAST) platforms. In this paper, we report an analog/digital (A/D) mixed-mode optic-flow sensor, which generates both optic flows and normal images in different modes for μ- Compound eyes and μ-Ocelli applications. The sensor employs a time-stamp based optic flow algorithm which is modified from the conventional EMD (Elementary Motion Detector) algorithm to give an optimum partitioning of hardware blocks in analog and digital domains as well as adequate allocation of pixel-level, column-parallel, and chip-level signal processing. Temporal filtering, which may require huge hardware resources if implemented in digital domain, is remained in a pixel-level analog processing unit. The rest of the blocks, including feature detection and timestamp latching, are implemented using digital circuits in a column-parallel processing unit. Finally, time-stamp information is decoded into velocity from look-up tables, multiplications, and simple subtraction circuits in a chip-level processing unit, thus significantly reducing core digital processing power consumption. In the normal image mode, the sensor generates 8-b digital images using single slope ADCs in the column unit. In the optic flow mode, the sensor estimates 8-b 1-D optic flows from the integrated mixed-mode algorithm core and 2-D optic flows with an external timestamp processing, respectively.

Wave study of compound eyes for efficient infrared detection

NASA Astrophysics Data System (ADS)

Kilinc, Takiyettin Oytun; Hayran, Zeki; Kocer, Hasan; Kurt, Hamza

2017-08-01

Improving sensitivity in the infrared spectrum is a challenging task. Detecting infrared light over a wide bandwidth and at low power consumption is very important. Novel solutions can be acquired by mimicking biological eyes such as compound eye with many individual lenses inspired from the nature. The nature provides many ingenious approaches of sensing and detecting the surrounding environment. Even though compound eye consists of small optical units, it can detect wide-angle electromagnetic waves and it has high transmission and low reflection loss. Insects have eyes that are superior compared to human eyes (single-aperture eyes) in terms of compactness, robustness, wider field of view, higher sensitivity of light intensity and being cheap vision systems. All these desired properties are accompanied by an important drawback: lower spatial resolution. The first step to investigate the feasibility of bio-inspired optics in photodetectors is to perform light interaction with the optical system that gather light and detect it. The most common method used in natural vision systems is the ray analysis. Light wave characteristics are not taken into consideration in such analyses, such as the amount of energy at the focal point or photoreceptor site, the losses caused by reflection at the interfaces and absorption cannot be investigated. In this study, we present a bio-inspired optical detection system investigated by wave analysis. We numerically model the wave analysis based on Maxwell equations from the viewpoint of efficient light detection and revealing the light propagation after intercepting the first interface of the eye towards the photoreceptor site.

Microoptical artificial compound eyes: from design to experimental verification of two different concepts

NASA Astrophysics Data System (ADS)

Duparré, Jacques; Wippermann, Frank; Dannberg, Peter; Schreiber, Peter; Bräuer, Andreas; Völkel, Reinhard; Scharf, Toralf

2005-09-01

Two novel objective types on the basis of artificial compound eyes are examined. Both imaging systems are well suited for fabrication using microoptics technology due to the small required lens sags. In the apposition optics a microlens array (MLA) and a photo detector array of different pitch in its focal plane are applied. The image reconstruction is based on moire magnification. Several generations of demonstrators of this objective type are manufactured by photo lithographic processes. This includes a system with opaque walls between adjacent channels and an objective which is directly applied onto a CMOS detector array. The cluster eye approach, which is based on a mixture of superposition compound eyes and the vision system of jumping spiders, produces a regular image. Here, three microlens arrays of different pitch form arrays of Keplerian microtelescopes with tilted optical axes, including a field lens. The microlens arrays of this demonstrator are also fabricated using microoptics technology, aperture arrays are applied. Subsequently the lens arrays are stacked to the overall microoptical system on wafer scale. Both fabricated types of artificial compound eye imaging systems are experimentally characterized with respect to resolution, sensitivity and cross talk between adjacent channels. Captured images are presented.

A comparative study of the antihyaluronidase, antiurease, antioxidant, antimicrobial and physicochemical properties of different unifloral degrees of chestnut (Castanea sativa Mill.) honeys.

PubMed

Kolayli, Sevgi; Can, Zehra; Yildiz, Oktay; Sahin, Huseyin; Karaoglu, Sengul Alpay

2016-01-01

This study was planned to investigate some physicochemical and anti-inflammatory, antioxidant, antimicrobial properties of three different degrees of unifloral characters of chestnut honeys. Antihyaluronidase, antiurease and antimicrobial activities were evaluated as anti-inflammatory characteristics. Total phenolic contents, flavonoids, tannins, phenolic profiles, ferric-reducing antioxidant power (FRAP), scavenging activities of 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS + ) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals were evaluated as antioxidant properties. Color, optical rotation, conductivity, moisture, pH and ash content were evaluated as physicochemical parameters, and some sugars content, prolin, diastase, HMF and minerals (Na, K, Ca, P, Fe, Cu and Zn) were evaluated as chemical and biochemical parameters. All studied physicochemical and biological active properties were changed in line with the unifloral character of the chestnut honeys. A higher unifloral character was found associated with greater apitherapeutic capacity of the honey, as well as biological active compounds.

Antibacterial Activity of Cinnamaldehyde and Estragole Extracted from Plant Essential Oils against Pseudomonas syringae pv. actinidiae Causing Bacterial Canker Disease in Kiwifruit

PubMed Central

Song, Yu-Rim; Choi, Min-Seon; Choi, Geun-Won; Park, Il-Kwon; Oh, Chang-Sik

2016-01-01

Pseudomonas syringae pv. actinidiae (Psa) causes bacterial canker disease in kiwifruit. Antibacterial activity of plant essential oils (PEOs) originating from 49 plant species were tested against Psa by a vapor diffusion and a liquid culture assays. The five PEOs from Pimenta racemosa, P. dioica, Melaleuca linariifolia, M. cajuputii, and Cinnamomum cassia efficiently inhibited Psa growth by either assays. Among their major components, estragole, eugenol, and methyl eugenol showed significant antibacterial activity by only the liquid culture assay, while cinnamaldehyde exhibited antibacterial activity by both assays. The minimum inhibitory concentrations (MICs) of estragole and cinnamaldehyde by the liquid culture assay were 1,250 and 2,500 ppm, respectively. The MIC of cinnamaldehyde by the vapor diffusion assay was 5,000 ppm. Based on the formation of clear zones or the decrease of optical density caused by these compounds, they might kill the bacterial cells and this feature might be useful for managing the bacterial canker disease in kiwifruit. PMID:27493612

Disruption of ion homeostasis by verrucosin and a related compound.

PubMed

Akiyama, Koichi; Tone, Junichi; Yamauchi, Satoshi; Sugahara, Takuya; Maruyama, Masafumi; Kakinuma, Yoshimi

2011-01-01

We have found that (-)-virgatusin and related compounds have antimicrobial and antifungal activity. To identify further biological activities of these compounds, we tested the activity of acridine orange efflux, which shows ionophore-like disruption of cellular ion homeostasis activity. After testing 31 compounds, we found that verrucosin and a related compound had disruption activity.

Methods for the additive manufacturing of semiconductor and crystal materials

DOEpatents

Stowe, Ashley C.; Speight, Douglas

2016-11-22

A method for the additive manufacturing of inorganic crystalline materials, including: physically combining a plurality of starting materials that are used to form an inorganic crystalline compound to be used as one or more of a semiconductor, scintillator, laser crystal, and optical filter; heating or melting successive regions of the combined starting materials using a directed heat source having a predetermined energy characteristic, thereby facilitating the reaction of the combined starting materials; and allowing each region of the combined starting materials to cool in a controlled manner, such that the desired inorganic crystalline compound results. The method also includes, prior to heating or melting the successive regions of the combined starting materials using the directed heat source, heating the combined starting materials to facilitate initial reaction of the combined starting materials. The method further includes translating the combined starting materials and/or the directed heat source between successive locations. The method still further includes controlling the mechanical, electrical, photonic, and/or optical properties of the inorganic crystalline compound.

Investigation of the physical properties of two Laves phase compounds HRh2 (H = Ca and La): A DFT study

NASA Astrophysics Data System (ADS)

Rahaman, Md. Zahidur; Rahman, Md. Atikur

2018-05-01

By using the first-principle calculations, the structural, elastic, electronic and optical properties of Laves phase intermetallic compounds CaRh2 and LaRh2 prototype with MgCu2 are investigated. The evaluated lattice parameters are consistent with the experimental values. The important elastic properties, such as bulk modulus B, shear modulus G, Young’s modulus Y and the Poisson’s ratio v, are computed by applying the Voigt-Reuss-Hill (VRH) approximation. The analysis of Pugh’s ratio exhibits the ductile nature of both the phases. Electronic conductivity is predicted for both the compounds. Most of the contribution comes from Rh-4d states. The study of bonding characteristics reveals the existence of ionic and metallic bonds in both intermetallics. The study of optical properties indicates that CaRh2 is a better dielectric material than LaRh2. Absorption quality of both the phases is good in the ultraviolet region.

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

PubMed Central

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

Compound prism design principles, I

PubMed Central

Hagen, Nathan; Tkaczyk, Tomasz S.

2011-01-01

Prisms have been needlessly neglected as components used in modern optical design. In optical throughput, stray light, flexibility, and in their ability to be used in direct-view geometry, they excel over gratings. Here we show that even their well-known weak dispersion relative to gratings has been overrated by designing doublet and double Amici direct-vision compound prisms that have 14° and 23° of dispersion across the visible spectrum, equivalent to 800 and 1300 lines/mm gratings. By taking advantage of the multiple degrees of freedom available in a compound prism design, we also show prisms whose angular dispersion shows improved linearity in wavelength. In order to achieve these designs, we exploit the well-behaved nature of prism design space to write customized algorithms that optimize directly in the nonlinear design space. Using these algorithms, we showcase a number of prism designs that illustrate a performance and flexibility that goes beyond what has often been considered possible with prisms. PMID:22423145

Chip-based ingroove microplasma with orthogonal signal collection: new approach for carbon-containing species detection through open air reaction for performance enhancement

PubMed Central

Meng, Fanying; Li, Xuemei; Duan, Yixiang

2014-01-01

A novel microplasma generator based on ceramic chips has been developed and coupled with optical emission spectrometry through orthogonal detection. Stable microplasma was generated between two electrodes in the ingroove discharge chamber and the optical fiber was set in perpendicular to the gas outlet to collect emitted light. The emission signal of CN is surprisingly enhanced by reacting carbon-containing species with back-diffusion nitrogen from open air, and the enhanced CN signal is successfully applied to sensitively detect organic compounds for the first time. This article focuses to study the structural characteristic and the signal enhancement mechanism through back-diffusion reaction. Several organic compounds were detected directly with the limits of detection down to ppb level. Besides, the advantages of low energy consumption and the chip-based discharge chamber show great potential to be applied in portable devices. This development may lead to a new way for the sensitive detection of organic compounds. PMID:24763181

OSL studies of alkali fluoroperovskite single crystals for radiation dosimetry

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Raja, A.; Madhusoodanan, U.; Annalakshmi, O.; Ramasamy, P.

2016-08-01

This paper presents a preliminary investigation of the optically stimulated luminescence (OSL) of alkali fluoroperovskite single crystals for radiation dosimetry. The perovskite-like KMgF3, NaMgF3 and LiBaF3 polycrystalline compounds doped with rare earths (Eu2+ and Ce3+) were synthesized by standard solid state reaction technique. Phase purity of the synthesized compounds was analyzed by powder X-ray diffraction technique. Single crystals of these compounds have been grown from melt by using vertical Bridgman-Stockbarger method. The Linearly Modulated OSL and Continuous Wave OSL measurements were performed in these alkali fluorides using blue light stimulation. Thermal bleaching experiments have shown that OSL signals originate from traps which are unstable near 200 °C, thus proving the suitability of the signals for dosimetric purposes. Optical bleaching measurements were also performed for these fluoride samples. OSL dose response was studied as a function of dose which was found to increase with beta dose.

Integrated resonant micro-optical gyroscope and method of fabrication

DOEpatents

Vawter, G Allen [Albuquerque, NM; Zubrzycki, Walter J [Sandia Park, NM; Guo, Junpeng [Albuquerque, NM; Sullivan, Charles T [Albuquerque, NM

2006-09-12

An integrated optic gyroscope is disclosed which is based on a photonic integrated circuit (PIC) having a bidirectional laser source, a pair of optical waveguide phase modulators and a pair of waveguide photodetectors. The PIC can be connected to a passive ring resonator formed either as a coil of optical fiber or as a coiled optical waveguide. The lasing output from each end of the bidirectional laser source is phase modulated and directed around the passive ring resonator in two counterpropagating directions, with a portion of the lasing output then being detected to determine a rotation rate for the integrated optical gyroscope. The coiled optical waveguide can be formed on a silicon, glass or quartz substrate with a silicon nitride core and a silica cladding, while the PIC includes a plurality of III V compound semiconductor layers including one or more quantum well layers which are disordered in the phase modulators and to form passive optical waveguides.

Biophotonics of the interaction of low-intensity laser radiation with blood erythrocytes

NASA Astrophysics Data System (ADS)

Asimov, M. M.; Asimov, R. M.; Batyan, A. N.; Trusevich, M. O.; Rubinov, A. N.

2013-06-01

We have studied experimentally how optical radiation affects the neutralization of the toxic action of heavy metals and harmful chemical compounds (ecotoxicants) on the oxygen-transport function of blood erythrocytes. It has been found that the optical radiation has a stabilizing effect and prevents lowering the erythrocyte concentration in the presence of phenol and heavy metals in blood. We have studied the neutralization efficiency of the toxic action of ecotoxicants in relation to the laser irradiation time. The obtained data on the effect of the laser radiation on the thermal denaturation of hemoglobin and erythrocytes yield the scientific substantiation to the development of the optical method for the use in medicine upon drawing and conserving donor blood. We have shown that the obtained data can be used in medicine for improving the reliability of conditions of conservation and storage of donor blood, as well as for preventing the toxic action of harmful chemical compounds in the environment.

Synthesis of photochromic oligophenylenimines: optical and computational studies.

PubMed

Pérez, Armando I Martínez; Alonso, Oscar Coreño; Borbolla, Julián Cruz; Vásquez-Pérez, José M; Alonso, Juan Coreño; Ayala, Karina Alemán; Luna-Bárcenas, Gabriel; Pandiyan, Thangarasu; García, Rosa A Vázquez

2015-03-27

Phenyleneimine oligomers 4,4'-(((1E,1'E)-(((1E,1'E)-(1,4-phenylenebis-(azanylylidene))bis(methanylylidene))bis(2,5-bis(octyloxy)-4,1-phenylene))bis(methanylyl-idene))-bis(azanylylidene))dianiline (OIC1MS) and 7,7'-(((1E,1'E)-(((1E,1'E)-((9H-fluorene-2,7-diyl)bis(azanylylidene))bis(methanylylidene))bis(2,5-bis(octyloxy)-4,1phenylene))bis- (methanylylidene))bis(azanylylidene))bis(9H-fluoren-2-amine) (OIC2MS) were prepared by means of conventional and mechanochemical synthesis and characterized by FT-IR, 1H- and 13C-NMR techniques. The optical properties of the compounds were studied in solution by using UV-visible spectroscopy, and the optical effects were analyzed as a function of solvent. The results show that OIC2MS exhibits interesting photochromic properties. Furthermore, the structural and electronic properties of the compounds were analyzed by TD-DFT. It was found that the mechanosynthesis is an efficient method for the synthesis of both tetraimines.

Secondary and compound concentrators for parabolic dish solar thermal power systems

NASA Technical Reports Server (NTRS)

Jaffe, L. D.; Poon, P. T.

1981-01-01

A secondary optical element may be added to a parabolic dish solar concentrator to increase the geometric concentration ratio attainable at a given intercept factor. This secondary may be a Fresnel lens or a mirror, such as a compound elliptic concentrator or a hyperbolic trumpet. At a fixed intercept factor, higher overall geometric concentration may be obtainable with a long focal length primary and a suitable secondary matched to it. Use of a secondary to increase the geometric concentration ratio is more likely to e worthwhile if the receiver temperature is high and if errors in the primary are large. Folding the optical path with a secondary may reduce cost by locating the receiver and power conversion equipment closer to the ground and by eliminating the heavy structure needed to support this equipment at the primary focus. Promising folded-path configurations include the Ritchey-Chretien and perhaps some three element geometries. Folding the optical path may be most useful in systems that provide process heat.

Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

NASA Astrophysics Data System (ADS)

Ghosh, Anima; Thangavel, R.

2017-11-01

In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

Novel Enzyme Family Found in Filamentous Fungi Catalyzing trans-4-Hydroxylation of l-Pipecolic Acid

PubMed Central

Hibi, Makoto; Mori, Ryosuke; Miyake, Ryoma; Kawabata, Hiroshi; Kozono, Shoko; Takahashi, Satomi

2016-01-01

Hydroxypipecolic acids are bioactive compounds widely distributed in nature and are valuable building blocks for the organic synthesis of pharmaceuticals. We have found a novel hydroxylating enzyme with activity toward l-pipecolic acid (l-Pip) in a filamentous fungus, Fusarium oxysporum c8D. The enzyme l-Pip trans-4-hydroxylase (Pip4H) of F. oxysporum (FoPip4H) belongs to the Fe(II)/α-ketoglutarate-dependent dioxygenase superfamily, catalyzes the regio- and stereoselective hydroxylation of l-Pip, and produces optically pure trans-4-hydroxy-l-pipecolic acid (trans-4-l-HyPip). Amino acid sequence analysis revealed several fungal enzymes homologous with FoPip4H, and five of these also had l-Pip trans-4-hydroxylation activity. In particular, the homologous Pip4H enzyme derived from Aspergillus nidulans FGSC A4 (AnPip4H) had a broader substrate specificity spectrum than other homologues and reacted with the l and d forms of various cyclic and aliphatic amino acids. Using FoPip4H as a biocatalyst, a system for the preparative-scale production of chiral trans-4-l-HyPip was successfully developed. Thus, we report a fungal family of l-Pip hydroxylases and the enzymatic preparation of trans-4-l-HyPip, a bioactive compound and a constituent of secondary metabolites with useful physiological activities. PMID:26801577

Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals.

PubMed

Swarna Sowmya, N; Sampathkrishnan, S; Vidyalakshmi, Y; Sudhahar, S; Mohan Kumar, R

2015-06-15

Organic nonlinear optical material, pyrrolidinium-2-carboxylate-4-nitrophenol (PCN) was synthesized and single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction analysis confirmed the structure and lattice parameters of PCN crystals. Infrared, Raman and NMR spectral analyses were used to elucidate the functional groups present in the compound. The thermal behavior of synthesized compound was studied by thermogravimetric and differential scanning calorimetry (TG-DSC) analyses. The photoluminescence property was studied by exciting the crystal at 360 nm. The relative second harmonic generation (SHG) efficiency of grown crystal was estimated by using Nd:YAG laser with fundamental wavelength of 1,064 nm. Copyright © 2015 Elsevier B.V. All rights reserved.