Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Theoretical predictions of red and near-infrared strongly emitting X-annulated rylenes.

ABSTRACT: The optical properties of rylenes are extremely interesting because their emission colors can be tuned from blue to near-infrared by simply elongating the chain length. However, for conjugated chains, the dipole-allowed odd-parity 1B(u) excited state often lies above the dipole-forbidden even-parity 2A(g) state as the chain length increases, thus preventing any significant luminescence according to Kasha's rule. We systemically investigated the 1B(u)∕2A(g) crossover behaviors with respect to the elongating rylene chain length with various quantum chemistry approaches, such as time-depended density functional theory (TDDFT), complete active space self-consistent field theory (CASSCF∕CASPT2), multireference configuration interaction (MRCI)∕Zerner's intermediate neglect of diatomic overlap (ZINDO), and MRCI∕modified neglect of differential overlap. The calculated results by CASSCF∕CASPT2 and MRCI∕ZINDO are completely coherent: the optical active 1B(u) state lies below the dark B(3g) or 2A(g) state for perylene and terrylene, which results in strong fluorescence; while a crossover to S(1) = 2A(g) occurs and leads to much weaker fluorescence for quaterrylene. Then we put forward a molecular design rule on how to recover fluorescence for the longer rylenes by introducing heteroatom bridges. Several heteroatom-annulated rylenes are designed theoretically, which are predicted to be strongly emissive in the red and near-infrared ranges. These are further confirmed by theoretical emission spectra as well as radiative and nonradiative decay rate calculations by using the vibration correlation function formalisms we developed earlier coupled with TDDFT.

SUBMITTER: Peng Q

PROVIDER: S-EPMC3071303 | biostudies-other | 2011 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

Near-infrared-emitting nanoparticles activate collagen synthesis via TGFβ signaling

Project description:We describe the novel synthesis Ag2S nanoparticles (NPs) by using a sonochemical method and reveal the effects of NIR irradiation on the enhancement of the production of collagen through NIR-emitting Ag2S NPs. We also synthesized Li-doped Ag2S NPs that exhibited significantly increased emission intensity because of their enhanced absorption ability in the UV - NIR region.

2020-07-25 | GSE155027 | GEO

Visible light communication with efficient far-red/near-infrared polymer light-emitting diodes.

Project description:Visible light communication (VLC) is a wireless technology that relies on optical intensity modulation and is potentially a game changer for internet-of-things (IoT) connectivity. However, VLC is hindered by the low penetration depth of visible light in non-transparent media. One solution is to extend operation into the "nearly (in)visible" near-infrared (NIR, 700-1000 nm) region, thus also enabling VLC in photonic bio-applications, considering the biological tissue NIR semitransparency, while conveniently retaining vestigial red emission to help check the link operativity by simple eye inspection. Here, we report new far-red/NIR organic light-emitting diodes (OLEDs) with a 650-800 nm emission range and external quantum efficiencies among the highest reported in this spectral range (>2.7%, with maximum radiance and luminance of 3.5 mW/cm2 and 260 cd/m2, respectively). With these OLEDs, we then demonstrate a "real-time" VLC setup achieving a data rate of 2.2 Mb/s, which satisfies the requirements for IoT and biosensing applications. These are the highest rates ever reported for an online unequalised VLC link based on solution-processed OLEDs.

| S-EPMC7183573 | biostudies-literature

Far-red/near-infrared emitting, two-photon absorbing, and bio-stable amino-Si-pyronin dyes.

Project description:Organic fluorophores emitting in the far-red/near-infrared (NIR) wavelength region are in great demand for minimal autofluorescence and reduced light scattering in deep tissue or whole body imaging. Currently, only a few classes of far-red/NIR fluorophores are available including widely used cyanine dyes, which are susceptible to photobleaching and form nonfluorescent aggregates. Even rare are those far-red/NIR emitting dyes that have two-photon imaging capability. Here we report a new class of far-red/NIR-emitting dyes that are photo-stable, very bright, biocompatible, and also two-photon absorbing. The introduction of an electron-withdrawing group such as N-acyl or N-alkoxycarbonyl groups on the C-10-amino substituent of the new julolidine-derived amino-Si-pyronin dyes (ASiPj), which emit in the far-red region, causes large bathochromic shifts, leading to NIR-emitting amino-Si-pyronin dyes (NIR-ASiPj) having high cellular stability. Furthermore, the ASiPj-NIR-ASiPj couple offers a novel ratiometric bioimaging platform with a large spectral gap, as demonstrated here with a boronate-containing NIR-ASiPj derivative that is converted to the corresponding ASiPj dye upon reaction with hydrogen peroxide.

| S-EPMC6855311 | biostudies-literature

Near-infrared light emitting luciferase via biomineralization.

Project description:A new strategy based on biomineralization is presented to rationally tune the emission wavelength of luciferase. In this study luciferase (Luc8) was used as a template to direct the synthesis of near-infrared (NIR) light emitting PbS quantum dots (QDs) at ambient conditions to form a Luc8-PbS nanocomplex. The as-synthesized PbS QDs exhibited photoluminescence in the range of 800-1050 nm, and the Luc8 enzyme remained active within the Luc8-PbS complex. Upon the addition of the substrate coelenterazine, the energy produced by Luc8 was nonradiatively transferred to PbS QDs via bioluminescence resonance energy transfer (BRET) and enabled the complex to emit NIR light. This is the first study to form dual functional bioinorganic hybrid nanostructures via active enzyme-templated synthesis of inorganic nanomaterials.

| S-EPMC2892383 | biostudies-literature

Transparent near-infrared perovskite light-emitting diodes.

Project description:Mobile and wearable devices are increasingly reliant on near-infrared (NIR) covert illumination for facial recognition, eye-tracking or motion and depth sensing functions. However, these small devices offer limited spatial real estate that is typically already occupied by their full-area electronic color displays. Here, we report a transparent perovskite light-emitting diode (LED) that could be overlaid across a color display to provide an efficient and high-intensity NIR illumination. Our transparent devices are constructed with an ITO/AZO/PEIE/FAPbI3/poly-TPD/MoO3/Al/ITO/Ag/ITO architecture, and offer a high average transmittance of more than 55% across the visible spectral region. In particular, our Al/ITO/Ag/ITO top transparent electrode was designed to offer a combination low sheet resistance and low plasma damage upon electrode deposition. The devices emit at 799 nm with a high total external quantum efficiency of 5.7% at a current density of 5.3 mA cm-2 and a high radiance of 1.5 W sr-1 m-2, and possess a large functional device area of 120 mm2. The efficient performance is ideal for battery-powered wearable devices, and could enable advanced security and sensing features on future smart-watches, phones, gaming consoles and augmented or virtual reality headsets.

| S-EPMC7445238 | biostudies-literature

Divalent europium-doped near-infrared-emitting phosphor for light-emitting diodes.

Project description:Near-infrared luminescent materials exhibit unique photophysical properties that make them crucial components in photonic, optoelectronic and biological applications. As broadband near infrared phosphors activated by transition metal elements are already widely reported, there is a challenge for next-generation materials discovery by introducing rare earth activators with 4f-5d transition. Here, we report an unprecedented phosphor K3LuSi2O7:Eu2+ that gives an emission band centered at 740 nm with a full-width at half maximum of 160 nm upon 460 nm blue light excitation. Combined structural and spectral characterizations reveal a selective site occupation of divalent europium in LuO6 and K2O6 polyhedrons with small coordination numbers, leading to the unexpected near infrared emission. The fabricated phosphor-converted light-emitting diodes have great potential as a non-visible light source. Our work provides the design principle of near infrared emission in divalent europium-doped inorganic solid-state materials and could inspire future studies to further explore near-infrared light-emitting diodes.

| S-EPMC6868216 | biostudies-literature

Towards efficient near-infrared fluorescent organic light-emitting diodes.

Project description:The energy gap law (EG-law) and aggregation quenching are the main limitations to overcome in the design of near-infrared (NIR) organic emitters. Here, we achieve unprecedented results by synergistically addressing both of these limitations. First, we propose porphyrin oligomers with increasing length to attenuate the effects of the EG -law by suppressing the non-radiative rate growth, and to increase the radiative rate via enhancement of the oscillator strength. Second, we design side chains to suppress aggregation quenching. We find that the logarithmic rate of variation in the non-radiative rate vs. EG is suppressed by an order of magnitude with respect to previous studies, and we complement this breakthrough by demonstrating organic light-emitting diodes with an average external quantum efficiency of ~1.1%, which is very promising for a heavy-metal-free 850 nm emitter. We also present a novel quantitative model of the internal quantum efficiency for active layers supporting triplet-to-singlet conversion. These results provide a general strategy for designing high-luminance NIR emitters.

| S-EPMC7820436 | biostudies-literature

Near-infrared-emitting nanoparticles activate collagen synthesis via TGFβ signaling

Project description:Near-infrared-emitting nanoparticles activate collagen synthesis via TGFβ signaling

| PRJNA648300 | ENA

Thiophene Disubstituted Benzothiadiazole Derivatives: An Effective Planarization Strategy Toward Deep-Red to Near-Infrared (NIR) Organic Light-Emitting Diodes.

Project description:As one of the three primary colors that are indispensable in full-color displays, the development of red emitters is far behind the blue and green ones. Here, three novel orange-yellow to near-infrared (NIR) emitters based on 5,6-difluorobenzo[c][1,2,5]thiadiazole (BTDF) namely BTDF-TPA, BTDF-TTPA, and BTDF-TtTPA were designed and synthesized. Density functional theory analysis and photophysical characterization reveal that these three materials possess hybridized local and charge-transfer (HLCT) state feature and a feasible reverse intersystem crossing (RISC) from the high-lying triplet state to the singlet state may conduce to an exciton utilization exceeding the limit of 25% of traditional fluorescence materials under electrical excitation. The insertion of thiophene with small steric hindrance as π-bridge between the electron-donating (D) moiety triphenylamine (TPA) and the electron-accepting (A) moiety BTDF not only results in a remarkable 67 nm red-shift of the emission peak but also brings about a large overlap of frontier molecular orbitals to guarantee high radiative transition rate that is of great significance to obtain high photoluminescence quantum yield (PLQY) in the "energy-gap law" dominated long-wavelength emission region. Consequently, an attractive high maximum external quantum efficiency (EQE) of 5.75% was achieved for the doped devices based on these thiophene π-bridged emitters, giving a deep-red emission with small efficiency roll-off. Remarkably, NIR emission could be obtained for the non-doped devices, achieving an excellent maximum EQE of 1.44% and Commission Internationale de l'Éclairage (CIE) coordinates of (0.71, 0.29). These results are among the highest efficiencies in the reported deep-red to NIR fluorescent OLEDs and offer a new π-bridge design strategy in D-π-A and D-π-A-π-D red emitter design.

| S-EPMC6482244 | biostudies-literature

Theoretical predictions strongly support decision accuracy as a major driver of ecological specialization.

Project description:We examine the proposal that the high levels of ecological specialization seen in many animals has been driven by benefits in decision accuracy that accrue from this resource-use strategy. Using artificial analogs of real neural processing (artificial neural networks), we examine the relationship between decision accuracy, level of ecological specialization/generalization, and the punishment/reward for selecting non-host resources. We demonstrate that specialists make more accurate resource-use decisions than generalists when the consequences of using a non-host are neutral or positive but not very positive. Pronounced unsuitability of non-host resources in fact promotes higher decision accuracy in generalists. These unusual predictions can be explained by the special properties of neural processing systems and are entirely consistent with patterns of performance of many specialists in nature, where non-used resources are, curiously, often quite suitable for growth and reproduction. They potentially reconcile the long-observed discrepancy between the presence of high levels of ecological specialization in many animal groups and the absence of strong negative fitness correlations across resources. The strong theoretical support obtained here, and the equally good support in experimental studies elsewhere, should bring the "neural limitations" hypothesis to the forefront of research on the evolutionary determinants of ecological range.

| S-EPMC2666988 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data