scholarly journals Structure-based model for light-harvesting properties of nucleic acid nanostructures

2013 ◽  
Vol 42 (4) ◽  
pp. 2159-2170 ◽  
Author(s):  
Keyao Pan ◽  
Etienne Boulais ◽  
Lun Yang ◽  
Mark Bathe
Keyword(s):  
Optical Properties ◽  
Energy Transfer ◽  
Nucleic Acid ◽  
Rational Design ◽  
Large Scale ◽  
Spatial Organization ◽  
Temporal Dynamics ◽  
Light Harvesting ◽  
Total Power ◽  
Dna Nanostructure

Abstract Programmed self-assembly of DNA enables the rational design of megadalton-scale macromolecular assemblies with sub-nanometer scale precision. These assemblies can be programmed to serve as structural scaffolds for secondary chromophore molecules with light-harvesting properties. Like in natural systems, the local and global spatial organization of these synthetic scaffolded chromophore systems plays a crucial role in their emergent excitonic and optical properties. Previously, we introduced a computational model to predict the large-scale 3D solution structure and flexibility of nucleic acid nanostructures programmed using the principle of scaffolded DNA origami. Here, we use Förster resonance energy transfer theory to simulate the temporal dynamics of dye excitation and energy transfer accounting both for overall DNA nanostructure architecture as well as atomic-level DNA and dye chemical structure and composition. Results are used to calculate emergent optical properties including effective absorption cross-section, absorption and emission spectra and total power transferred to a biomimetic reaction center in an existing seven-helix double stranded DNA-based antenna. This structure-based computational framework enables the efficient in silico evaluation of nucleic acid nanostructures for diverse light-harvesting and photonic applications.

Rational design of a pyrene based luminescent porous supramolecular framework: excimer emission and energy transfer

RSC Advances ◽  
2015 ◽  
Vol 5 (92) ◽  
pp. 74986-74993 ◽  
Author(s):  
Komal Prasad ◽  
Ritesh Haldar ◽  
Tapas Kumar Maji
Keyword(s):  
Energy Transfer ◽  
Rational Design ◽  
Light Harvesting ◽  
Supramolecular Framework ◽  
Excimer Emission ◽  
Design And Synthesis ◽  
Porous Framework ◽  
Synthesis Approach

Based on rational design and synthesis approach, a pyrene based supramolecular flexible porous framework of Zn(ii) has been synthesized. It shows excimer emission and has been exploited for light harvesting application.

The Study on the Planning and Architectural Design of the Ultra-Large-Scale High School Accommodating the Development of Education - Taking XIFEI NO.1 High School as an Example

2013 ◽  
Vol 368-370 ◽  
pp. 125-129
Author(s):  
Kun Zhou ◽  
Shu Ting Li ◽  
Yin Zhang
Keyword(s):  
High School ◽  
Resource Sharing ◽  
Architectural Design ◽  
Rational Design ◽  
Large Scale ◽  
Spatial Organization ◽  
Quality Education ◽  
Design Standards ◽  
Function Modules ◽  
Superior Education

Recently, to concentrate superior education resources, many ultra-large-scale secondary schools are established around constantly, but in the process of construction and operation, many problems are exposed, due to the lack of design standards and experiences. At the same time, how to adapt to the concept of quality education and quality education method is the great challenge of the ultra-large-scale secondary architectural design in this stage. In the planning of XIFEI NO.1 high school, according to school development trends and learning from the advanced foreign countries, with systematic design methods and design concept of "schools within a school, resource sharing and walking system", the rational design of functional configuration and spatial organization for school buildings has been accomplished. In this plan, the core of the school is established with the multifunctional library and resource center, the function modules are established with the grade school districts to build the multi-level space for teaching, communicating and working. This is a positive exploration of the ultra-large boarding school planning and architectural design.

Energy-Transfer Modeling for the Rational Design of Multiporphyrin Light-Harvesting Arrays

1998 ◽  
Vol 102 (21) ◽  
pp. 4209-4216 ◽  
Author(s):  
P. Gregory Van Patten ◽  
Andrew P. Shreve ◽  
Jonathan S. Lindsey ◽  
Robert J. Donohoe
Keyword(s):  
Energy Transfer ◽  
Rational Design ◽  
Light Harvesting

scholarly journals Contextual connectivity: A framework for understanding the intrinsic dynamic architecture of large-scale functional brain networks

2016 ◽  
Author(s):  
Rastko Ciric ◽  
Jason S. Nomi ◽  
Lucina Q. Uddin ◽  
Ajay B. Satpute
Keyword(s):  
Large Scale ◽  
Spatial Organization ◽  
Temporal Dynamics ◽  
Temporal Structure ◽  
Brain Networks ◽  
Neural Systems ◽  
Global Changes ◽  
Whole Brain ◽  
Dynamic Architecture ◽  
Functional Brain Networks

ABSTRACTInvestigations of the human brain’s connectomic architecture have produced two alternative models: one describes the brain’s spatial structure in terms of localized networks, and the other describes the brain’s temporal structure in terms of whole-brain states. Here, we used tools from connectivity dynamics to develop a synthesis that bridges these models. Using task-free fMRI data, we investigated the assumptions undergirding current models of the connectome. Consistent with state-based models, our results suggest that localized networks are superordinate approximations of underlying dynamic states. Furthermore, each of these localized, moment-to-moment connectivity states is associated with global changes in the whole-brain functional connectome. By nesting localized connectivity states within their whole-brain contexts, we demonstrate the relative temporal independence of brain networks. Our assay for functional autonomy of coordinated neural systems is broadly applicable across populations, and our findings provide evidence of structure in temporal dynamics that complements the well-described spatial organization of the brain.

Molecular insights on the dynamic stability of peptide nucleic acid functionalized carbon and boron nitride nanotubes

2021 ◽  
Vol 23 (1) ◽  
pp. 219-228
Author(s):  
Nabanita Saikia ◽  
Mohamed Taha ◽  
Ravindra Pandey
Keyword(s):  
Nucleic Acid ◽  
Boron Nitride ◽  
Nucleic Acids ◽  
Dynamic Stability ◽  
Peptide Nucleic Acid ◽  
Rational Design ◽  
Peptide Nucleic Acids ◽  
Boron Nitride Nanotubes ◽  
Molecular Hybrids ◽  
Single Wall Nanotubes

The rational design of self-assembled nanobio-molecular hybrids of peptide nucleic acids with single-wall nanotubes rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial's surface.

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

2020 ◽  
Author(s):  
Zeyu Liu ◽  
Shugui Hua ◽  
Tian Lu ◽  
Ziqi Tian
Keyword(s):  
Optical Properties ◽  
Rational Design ◽  
Rayleigh Scattering ◽  
Function Analysis ◽  
Theoretical Calculations ◽  
Photophysical Properties ◽  
Optical Nonlinearity ◽  
Nonlinear Properties ◽  
Photoelectric Performance ◽  
Wave Function Analysis

Inspired by a previous experimental study on the first-order hyperpolarizabilities of 1,3-thiazolium-5-thiolates mesoionic compounds using Hyper-Rayleigh scattering technique, we theoretically investigated the UV-Vis absorption spectra and every order polarizabilities of these mesoionic molecules. Based on the fact that the photophysical and nonlinear properties observed in the experiment can be perfectly replicated, our theoretical calculations explored the essential characteristics of the optical properties of the mesoionic compounds with different electron-donating groups at the level of electronic structures through various wave function analysis methods. The influence of the electron-donating ability of the donor on the optical properties of the molecules and the contribution of the mesoionic ring moiety to their optical nonlinearity are clarified, which have not been reported by any research so far. This work will help people understand the nature of optical properties of mesoionic-based molecules and provide guidance for the rational design of molecules with excellent photoelectric performance in the future.

The study of intramolecular decay and intermolecular energy transfer for phosphorescent organic light-emitting devices

2021 ◽  
Vol 23 (12) ◽  
pp. 7495-7503
Author(s):  
Wanlin Cai ◽  
Kai Ren ◽  
Ancong Zhao ◽  
Xiulan Wu ◽  
Rongxing He ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Rational Design ◽  
Energy Transfer Efficiency ◽  
Transfer Efficiency ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Organic Light ◽  
Intermolecular Energy ◽  
Intermolecular Energy Transfer ◽  
Organic Light Emitting Devices

Compared to the PtOO7-based system, the greater EQE of the PtON7-based system is mainly governed by the stronger energy transfer efficiency (ηEET); thus, it is necessary to evaluate ηEET from hosts to guests for the rational design of OLEDs.

scholarly journals Global soil moisture data derived through machine learning trained with in-situ measurements

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Sungmin O. ◽  
Rene Orth
Keyword(s):  
Machine Learning ◽  
Soil Moisture ◽  
Large Scale ◽  
Short Term Memory ◽  
Temporal Dynamics ◽  
Soil Moisture Data ◽  
Wide Range ◽  
Global Soil

AbstractWhile soil moisture information is essential for a wide range of hydrologic and climate applications, spatially-continuous soil moisture data is only available from satellite observations or model simulations. Here we present a global, long-term dataset of soil moisture derived through machine learning trained with in-situ measurements, SoMo.ml. We train a Long Short-Term Memory (LSTM) model to extrapolate daily soil moisture dynamics in space and in time, based on in-situ data collected from more than 1,000 stations across the globe. SoMo.ml provides multi-layer soil moisture data (0–10 cm, 10–30 cm, and 30–50 cm) at 0.25° spatial and daily temporal resolution over the period 2000–2019. The performance of the resulting dataset is evaluated through cross validation and inter-comparison with existing soil moisture datasets. SoMo.ml performs especially well in terms of temporal dynamics, making it particularly useful for applications requiring time-varying soil moisture, such as anomaly detection and memory analyses. SoMo.ml complements the existing suite of modelled and satellite-based datasets given its distinct derivation, to support large-scale hydrological, meteorological, and ecological analyses.

Efficient artificial light-harvesting systems based on aggregation-induced emission constructed in supramolecular gels

Soft Matter ◽  
2021 ◽  
Author(s):  
Xinxian Ma ◽  
bo qiao ◽  
Jinlong Yue ◽  
JingJing Yu ◽  
yutao geng ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Rhodamine B ◽  
Fluorescent Dyes ◽  
Light Harvesting ◽  
Artificial Light ◽  
Efficient Energy Transfer ◽  
Aggregation Induced Emission ◽  
Efficient Energy ◽  
Harvesting Systems ◽  
Acyl Hydrazone

Based on a new designed acyl hydrazone gelator (G2), we developed an efficient energy transfer supramolecular organogel in glycol with two different hydrophobic fluorescent dyes rhodamine B (RhB) and acridine...

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