Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications.

Five potentially environmentally friendly and light-stable hemicyanine dyes were designed based on integrated consideration of photo, environmental, and computational chemistry as well as textile applications. Two of them were synthesized and applied in dyeing polyacrylonitrile (PAN), cotton, and nylon fabrics, and demonstrated the desired properties speculated by the programs. The computer-assisted analytical processes includes estimation of the maximum absorption and emission wavelengths, aquatic environmental toxicity, affinity to fibers, and photo-stability. This procedure could effectively narrow down discovery of new potential dye structures, greatly reduce and prevent complex and expensive preparation processes, and significantly improve the development efficiency of novel environmentally friendly dyes

Chlorine and Bromine Isotope Fractionation of Halogenated Organic Pollutants on Gas Chromatography Columns

Compound-specific chlorine/bromine isotope analysis (CSIA-Cl/Br) has become a useful approach for degradation pathway investigation and source appointment of halogenated organic pollutants (HOPs). CSIA-Cl/Br is usually conducted by gas chromatography-mass spectrometry (GC-MS), which could be negatively impacted by chlorine and bromine isotope fractionation of HOPs on GC columns. In this study, 31 organochlorines and 4 organobromines were systematically investigated in terms of Cl/Br isotope fractionation on GC columns using GC-double focus magnetic-sector high resolution MS (GC-DFS-HRMS). On-column chlorine/bromine isotope fractionation behaviors of the HOPs were explored, presenting various isotope fractionation modes and extents. Twenty-nine HOPs exhibited inverse isotope fractionation, and only polychlorinated biphenyl-138 (PCB-138) and PCB-153 presented normal isotope fractionation. And no observable isotope fractionation was found for the rest four HOPs, i.e., PCB-101, 1,2,3,7,8-pentachlorodibenzofuran, PCB-180 and 2,3,7,8-tetrachlorodibenzofuran. The isotope fractionation extents of different HOPs varied from below the observable threshold (0.50%) to 7.31% (PCB-18). The mechanisms of the on-column chlorine/bromine isotope fractionation were tentatively interpreted with the Craig-Gordon model and a modified two-film model. Inverse isotope effects and normal isotope effects might contribute to the total isotope effects together and thus determine the isotope fractionation directions and extents. Proposals derived from the main results of this study for CSIA-Cl/Br research were provided for improving the precision and accuracy of CSIA-Cl/Br results. The findings of this study will shed light on the development of CSIA-Cl/Br methods using GC-MS techniques, and help to implement the research using CSIA-Cl/Br to investigate the environmental behaviors and pollution sources of HOPs.Comment: 30 pages, 5 figure

DF-GAN: Deep Fusion Generative Adversarial Networks for Text-to-Image Synthesis

Synthesizing high-quality realistic images from text descriptions is a challenging task. Almost all existing text-to-image Generative Adversarial Networks employ stacked architecture as the backbone. They utilize cross-modal attention mechanisms to fuse text and image features, and introduce extra networks to ensure text-image semantic consistency. In this work, we propose a much simpler, but more effective text-to-image model than previous works. Corresponding to the above three limitations, we propose: 1) a novel one-stage text-to-image backbone which is able to synthesize high-quality images directly by one pair of generator and discriminator, 2) a novel fusion module called deep text-image fusion block which deepens the text-image fusion process in generator, 3) a novel target-aware discriminator composed of matching-aware gradient penalty and one-way output which promotes the generator to synthesize more realistic and text-image semantic consistent images without introducing extra networks. Compared with existing text-to-image models, our proposed method (i.e., DF-GAN) is simpler but more efficient to synthesize realistic and text-matching images and achieves better performance. Extensive experiments on both Caltech-UCSD Birds 200 and COCO datasets demonstrate the superiority of the proposed model in comparison to state-of-the-art models

Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications

Five potentially environmentally friendly and light-stable hemicyanine dyes were designed based on integrated consideration of photo, environmental, and computational chemistry as well as textile applications. Two of them were synthesized and applied in dyeing polyacrylonitrile (PAN), cotton, and nylon fabrics, and demonstrated the desired properties speculated by the programs. The computer-assisted analytical processes includes estimation of the maximum absorption and emission wavelengths, aquatic environmental toxicity, affinity to fibers, and photo-stability. This procedure could effectively narrow down discovery of new potential dye structures, greatly reduce and prevent complex and expensive preparation processes, and significantly improve the development efficiency of novel environmentally friendly dyes

Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications.

Five potentially environmentally friendly and light-stable hemicyanine dyes were designed based on integrated consideration of photo, environmental, and computational chemistry as well as textile applications. Two of them were synthesized and applied in dyeing polyacrylonitrile (PAN), cotton, and nylon fabrics, and demonstrated the desired properties speculated by the programs. The computer-assisted analytical processes includes estimation of the maximum absorption and emission wavelengths, aquatic environmental toxicity, affinity to fibers, and photo-stability. This procedure could effectively narrow down discovery of new potential dye structures, greatly reduce and prevent complex and expensive preparation processes, and significantly improve the development efficiency of novel environmentally friendly dyes

LETTER An Modified Error Function for the Complex-value Backpropagation Neural Networks

Abstract—The complex-valued backpropagation algorithm has been widely used in fields dealing with telecommunications, speech recognition, and image processing with Fourier transformation. However, the local minima problem usually occurs in the process of learning. To solve this problem and to speed up the learning process, we propose a modified error function. we added a term to the conventional error function, which is connected to the hidden layer error. It can harmonize the update of the weights connected to the hidden layer and output layer. We have applied this method to the detection of symmetry problem and a real classification task. The simulation results show that the proposed algorithm is capable of preventing the learning from sticking into the local minima and of speeding up the learning. Keywords—Modified error function, Complex-BP, learning, local minima 1