Photophysical Study of Blue, Green, and Orange-Red Light-Emitting Carbazoles(1)

 

 

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Photophysical Study of Blue, Green, and Orange-Red Light-Emitting Carbazoles(1)

przez The Journal of Organic Chemistry: Latest Articles (ACS Publications) autor: Ravi M. Adhikari et al dnia 09-03-30

The Journal of Organic Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

 

 

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Molecular Actuator: Redox-Controlled Clam-Like Motion in a Bichromophoric Electron Donor

Molecular Actuator: Redox-Controlled Clam-Like Motion in a Bichromophoric Electron Donor

Organic Letters, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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Hormone-mimics in plastic water bottles - just the tip of the iceberg?

http://www.alphagalileo.org/ViewItem.aspx?ItemId=56506&CultureCode=en

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Protonation activates anion binding and alters binding selectivity in new in...

 

 

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Protonation activates anion binding and alters binding selectivity in new inherently fluorescent 2,6-bis(2-anilinoethynyl)pyridine bisureas

przez RSC - Chem. Commun. latest articles autor: Darren W. Johnson dnia 09-03-27

Calden N. Carroll, Orion B. Berryman, Charles A. JohnsonII, Lev N. Zakharov, Michael M. Haley, Darren W. Johnson
(Communication from Chem. Commun.)
Calden N. Carroll, Chem. Commun., 2009, DOI: 10.1039/b901643k
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Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of...

 

 

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Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of Reactivity toward Electrophiles Used as a Criterion of Aromaticity of Polycyclic Benzenoid Hydrocarbons⊥

przez Journal of Chemical Information and Modeling: Latest Articles (ACS Publications) autor: Arkadiusz Ciesielski et al dnia 09-02-22

Journal of Chemical Information and Modeling, Volume 49, Issue 2, Page 369-376, February 23, 2009.

 

 

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Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical E...

 

 

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Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions

przez Journal of Chemical Information and Modeling: Latest Articles (ACS Publications) autor: Robert S. Paton et al dnia 09-03-23

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Synthesis and Fluorescent Properties of Difluoroboron Dibenzoylmethane Polyc...

 

 

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Synthesis and Fluorescent Properties of Difluoroboron Dibenzoylmethane Polycaprolactone

przez Macromolecules: Latest Articles (ACS Publications) autor: Guoqing Zhang et al dnia 09-03-26

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Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Com...

 

 

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Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain

przez Macromolecules: Latest Articles (ACS Publications) autor: Yuichiro Tokoro et al dnia 09-03-20

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IntelliDrug - implant w jamie ustnej, który sam poda dawkę leku

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IntelliDrug - implant w jamie ustnej, który sam poda dawkę leku

Implant w jamie ustnej, który dzięki mikrokomputerowi o właściwej porze sam poda odpowiednią dawkę leku - taką metodę aplikowania lekarstw opracowała międzynarodowa grupa naukowców. W jej skład weszli polscy badacze z Laboratorium Inżynierii Biomedycznej Wydziału Inżynierii Chemicznej i Procesowej Politechniki Warszawskiej. Prace nad implantem to część międzynarodowego projektu IntelliDrug, finansowanego przez Komisję Europejską. Jak wyjaśnia kierujący polskim zespołem dr Tomasz Ciach z Politechniki Warszawskiej, implant będzie umieszczony w jamie ustnej w tymczasowej protezie dentystycznej, która przypomina ząb i umożliwia normalne spożywanie posiłków. Implant jest wielkości dwóch zębów trzonowych, ale naukowcy pracują nad jego zmniejszeniem.

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The Resonance Energy of Benzene: A Revisit

The Resonance Energy of Benzene: A Revisit

The Journal of Physical Chemistry A, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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Reversible Transformation between Rings and Coils in a Dynamic Hydrogen-Bonded Self-Assembly

Reversible Transformation between Rings and Coils in a Dynamic Hydrogen-Bonded Self-Assembly

Journal of the American Chemical Society, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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How nitrogen modifies the nuclear magnetic shielding in tetraazanaphthalenes

How nitrogen modifies the nuclear magnetic shielding in tetraazanaphthalenes

Inmaculada Garcia Cuesta, Jose Sanchez Marin, Alfredo M. J. Sanchez de Meras

(Paper from Phys. Chem. Chem. Phys.)

Inmaculada Garcia Cuesta, Phys. Chem. Chem. Phys., 2009, DOI: 10.1039/b823388h

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Complexes of 2,6-dimethylpyridine with water in condensed phases and the dynamical co-operative interactions involving hydrogen bonds

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Complexes of 2,6-dimethylpyridine with water in condensed phases and the dynamical co-operative interactions involving hydrogen bonds

Wojciech Marczak, Kamila Kielek, Bozena Czech, Henryk Flakus, Marek Rogalski

(Paper from Phys. Chem. Chem. Phys.)

Wojciech Marczak, Phys. Chem. Chem. Phys., 2009, DOI: 10.1039/b818747a

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[small pi]-Activated alcohols: an emerging class of alkylating agents for catalytic Friedel-Crafts reactions

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[small pi]-Activated alcohols: an emerging class of alkylating agents for catalytic Friedel-Crafts reactions

Marco Bandini, Michele Tragni

(Emerging Area from Org. Biomol. Chem.)

Marco Bandini, Org. Biomol. Chem., 2009, DOI: 10.1039/b823217b

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Amide-[pi] interactions between formamide and benzene

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Amide-[pi] interactions between formamide and benzene

High-level ab initio calculations have been carried out using a formamide-benzene model system to evaluate amide-[pi] interactions. The interaction energies were estimated as a sum of the CCSD(T) correlation contribution and the HF energy at the complete basis set limit, for the geometries of the model structures at the energy minimum obtained by potential energy surface (PES) scans. NH/[pi] geometry in a face-on configuration was found to be the most attractive among the various geometries considered, with interaction energy of -3.75 kcal/mol. An interaction energy of -2.08 kcal/mol was calculated for the stacked N/Center type geometry, where the nitrogen atom of formamide points directly toward the center of the aromatic ring. The weakest C[double bond]O/[pi] geometry, where a carbonyl oxygen atom points toward the plane of the aromatic ring, was found to have energy minimum at an intermolecular distance of 3.67 Å from the PES, with a repulsive interaction energy less than 1 kcal/mol. However, if there are simultaneous attractive interactions with other parts of the molecule besides the amide group, the weak repulsion could be easily overcome, to give a C[double bond]O/[pi] geometry interaction. © 2009 Wiley Periodicals, Inc. J Comput Chem 2009

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O−H···N Heterosynthon: A Robust Supramolecular Unit For Crystal Engineering

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O−H···N Heterosynthon: A Robust Supramolecular Unit For Crystal Engineering

Crystal Growth & Design, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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Luminescent, Liquid Crystalline Tris(N-salicylideneaniline)s: Synthesis and Characterization

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Luminescent, Liquid Crystalline Tris(N-salicylideneaniline)s: Synthesis and Characterization

The Journal of Organic Chemistry, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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NMR Chemical Exchange as a Probe for Ligand-Binding Kinetics in a Theophylline-Binding RNA Aptamer

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NMR Chemical Exchange as a Probe for Ligand-Binding Kinetics in a Theophylline-Binding RNA Aptamer

Journal of the American Chemical Society, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).

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Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states

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Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states

Shuo Chai, Guang-Jiu Zhao, Peng Song, Song-Qiu Yang, Jian-Yong Liu, Ke-Li Han

(Paper from Phys. Chem. Chem. Phys.)

Shuo Chai, Phys. Chem. Chem. Phys., 2009, DOI: 10.1039/b816589k

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Quantitative formation of [4]pseudorotaxanes from two rods and two bis-macro...

 

 

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Quantitative formation of [4]pseudorotaxanes from two rods and two bis-macrocycles incorporating porphyrinic plates between the rings

przez RSC - Chem. Commun. latest articles autor: Yann Trolez dnia 09-02-26

Jean-Paul Collin, Fabien Durola, Julien Frey, Valerie Heitz, Jean-Pierre Sauvage, Christian Tock, Yann Trolez
(Communication from Chem. Commun.)
Jean-Paul Collin, Chem. Commun., 2009, DOI: 10.1039/b901482a
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Self-assembly of a bis(adeninyl)-Cu(i) complex: a cationic nucleobase duplex...

 

 

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Self-assembly of a bis(adeninyl)-Cu(i) complex: a cationic nucleobase duplex mimic

przez RSC - Chem. Commun. latest articles autor: Andrew Houlton dnia 09-03-02

Miguel A. Galindo, David Amantia, William Clegg, Ross W. Harrington, Richard J. Eyre, Jonathon P. Goss, Patrick R. Briddon, William McFarlane, Andrew Houlton
(Communication from Chem. Commun.)
Miguel A. Galindo, Chem. Commun., 2009, DOI: 10.1039/b817329j
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Sensing Abilities of Crown Ether Functionalized Polythiophenes

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Sensing Abilities of Crown Ether Functionalized Polythiophenes

This work reports a theoretical study of the affinity of three different [15]crown-5 ether functionalized polythiophenes for alkali ions. Ab initio and DFT quantum mechanical calculations have evidenced that the binding energy between neutral conducting polymers and metallic ions, which interact attractively, decreases as the size of the ion increases. However, the preferences of these polythiophene derivatives have been found to be influenced by the entropic contribution, which favors binding with Na+ in preference to Li+. Molecular dynamics simulations have shown that this behavior can be accounted for on the basis of the large fluctuations that Li+ undergoes when it is contained in the cavity of the [15]crown-5 ether macrocycle. In contrast, the fluctuations detected for complexes with Na+ and K+ were particularly low, even though only the former ion fits into the center of the macrocyclic cavity. Oxidation of these polythiophene derivatives produces a drastic change in their sensing abilities, their affinities towards alkali ions becoming low or even nonexistent. Moreover, calculations indicate that the presence of unsubstituted thiophene rings directly attached to a functionalized thiophene modulates the strength of the binding in the oxidized state by reducing the repulsive interaction between the metallic cation and the [pi]-conjugated system. On the other hand, the influence of alkali ions on the electronic properties, in particular, on the ionization potentials and the lowest [pi]-[pi]* transitions, of both the neutral and oxidized polythiophenes is discussed.

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