The regulatory relationships between the top 5 TFs and their target genes.

<p>The red nodes represent transcription factors and the green nodes represent their target genes.</p

DataSheet2_Interpretation and prediction of optical properties: novel fluorescent dyes as a test case.PDF

The rapid development of modern quantum mechanical theories and computational resources facilitates extended characterization of molecular systems of increasing size and complexity, including chromophores of biochemical or technological interest. Efficient and accurate computations of molecular structure and properties in the ground and excited electronic states are routinely performed using density functional theory (DFT) and its time-dependent (TD-DFT) counterpart. However, the direct comparison with experiment requires simulation of electronic absorption or emission spectra, for which inclusion of vibrational effects leads to more realistic line shapes while at the same time allowing for more reliable interpretation and prediction of optical properties and providing additional information that is not available from experimental low-resolution UV-vis spectra. Computational support can help identify the most interesting chromophores among a large number of potential candidates for designing new materials or sensors, as well as unraveling effects contributing to the overall spectroscopic phenomena. In this perspective, recently developed viologen derivatives (1,1′-disubstituted-4,4′-bipyridyl cation salts, viol) are selected as test cases to illustrate the advantages of spectroscopic theoretical methodologies, which are still not widely used in “chemical” interpretation. Although these molecules are characterized by improved stability as well as the dual function of chromism and luminescence, their detailed spectroscopic characterization is hampered due to the availability of only low-resolution experimental spectra. DFT-based absorption and emission spectra are exploited in the analysis of optical properties, allowing detailed investigation of vibrational effects and gaining more insights on the structure–spectra relationship, which can be extended to develop further viologen dyes with improved optical properties.</p

The top 5 ranked TFs.

*<p>TF represents the transcription factor. RIF represents regulatory impact factor of TF. Rank represents the impact rank of TF.</p

DataSheet1_Interpretation and prediction of optical properties: novel fluorescent dyes as a test case.ZIP

The rapid development of modern quantum mechanical theories and computational resources facilitates extended characterization of molecular systems of increasing size and complexity, including chromophores of biochemical or technological interest. Efficient and accurate computations of molecular structure and properties in the ground and excited electronic states are routinely performed using density functional theory (DFT) and its time-dependent (TD-DFT) counterpart. However, the direct comparison with experiment requires simulation of electronic absorption or emission spectra, for which inclusion of vibrational effects leads to more realistic line shapes while at the same time allowing for more reliable interpretation and prediction of optical properties and providing additional information that is not available from experimental low-resolution UV-vis spectra. Computational support can help identify the most interesting chromophores among a large number of potential candidates for designing new materials or sensors, as well as unraveling effects contributing to the overall spectroscopic phenomena. In this perspective, recently developed viologen derivatives (1,1′-disubstituted-4,4′-bipyridyl cation salts, viol) are selected as test cases to illustrate the advantages of spectroscopic theoretical methodologies, which are still not widely used in “chemical” interpretation. Although these molecules are characterized by improved stability as well as the dual function of chromism and luminescence, their detailed spectroscopic characterization is hampered due to the availability of only low-resolution experimental spectra. DFT-based absorption and emission spectra are exploited in the analysis of optical properties, allowing detailed investigation of vibrational effects and gaining more insights on the structure–spectra relationship, which can be extended to develop further viologen dyes with improved optical properties.</p

The regulatory relationships between the top 5 TFs and their target genes.

*<p>TF represents the transcription factor. Target gene represents the target gene of transcription factor. cor.1 and cor.2 represent the coexpression correlation between the TF and the target gene in conditions 1 and 2, respectively. DCG indicates the differentially co-expressed gene of a pair of TF and target gene.</p

Relevant literatures that linked with crop yield forecast using remotely sensed data literatures are sorted according to the crop types.

<p>Relevant literatures that linked with crop yield forecast using remotely sensed data literatures are sorted according to the crop types.</p

Results of the stepwise regression models for remotely sensed rice yield using AVHRR-derived NDVI measures as independent variables.

<p>R: multiple correlation coefficient.</p>*<p>significant at 0.05 level; ** significant at 0.01 level.</p

Correlation coefficient (R) between the remotely sensed yields and NDVI variables during the rice growth period.

*<p>significant at 0.05 level; ** significant at 0.01 level, n = 23.</p

The locations of the study areas within Mainland China.

<p>Heilongjiang is designated by HLJ, Jiangxi by JX, Guangxi by GX, Sichuan by SC, and Hunan by HN.</p

Rice yield trends for the provinces' of Heilongjiang (HLJ), Hunan (HN), Jiangxi (JX), Sichuan (SC) and Guangxi (GX) from 1979 to 2006.

<p>Rice yield trends for the provinces' of Heilongjiang (HLJ), Hunan (HN), Jiangxi (JX), Sichuan (SC) and Guangxi (GX) from 1979 to 2006.</p