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1.
Phys Chem Chem Phys ; 26(6): 4922-4928, 2024 Feb 07.
Article in English | MEDLINE | ID: mdl-38263876

ABSTRACT

Pure rotational transitions of the ClSO radical have been observed by Fourier-transform microwave spectroscopy. a-type and b-type transitions, for both 35Cl and 37Cl isotopologues, were detected, and the observed very complicated fine and hyperfine components were assigned well. The intensities of the observed spectra of the two isotopologues correspond to the ratio of the isotope abundances of 35Cl and 37Cl. A total of 21 molecular constants were determined precisely for both 35ClSO and 37ClSO, including the rotational constants, centrifugal distortion constants, electronic spin-rotation constants, nuclear spin-rotation constants, magnetic hyperfine constants, and quadrupole coupling constants of chlorine. The molecular constants show ClSO to have the 2A'' electronic ground state with an out-of-plane unpaired electron. The spin density of the chlorine atom is about 10.6%, which is similar to that of the fluorine atom for FSO, about 8%. Results of the ClSO radical are compared with those of other triatomic radicals with similar structures, the XSS, XSO, and XOO radicals with X = H, F, and Cl, leading to a conclusion that the ClSO radical is more like FSO, but fairly different from the FOO and ClOO radicals.

2.
Phys Chem Chem Phys ; 25(48): 33112-33118, 2023 Dec 13.
Article in English | MEDLINE | ID: mdl-38044842

ABSTRACT

Pure rotational transitions of two conformers of the CH2CHCO radical have been observed by Fourier-transform microwave spectroscopy, where one conformer is called the s-trans-3-propenalyl radical and the other the 3-propenolyl radical. The observed two conformers have different electronic states. The former, the s-trans-3-propenalyl radical, has the 2A' electronic state and can be written as CH2CHCO, where the unpaired electron resides mainly on the terminal CO carbon. On the other hand, the latter, 3-propenolyl radical has the 2A'' electronic state and can be written as CH2CHCO. We were able to observe pure rotational transitions of the two conformers. Since both of the species have an unpaired electron, there exist spin-rotation interactions due to the unpaired electron and the magnetic hyperfine interactions due to the three coupling protons. The observed very complicated spectra, caused by these interactions, were assigned, leading to detailed molecular constants including the fine and hyperfine coupling constants for both of the species. The determined molecular constants support the electronic structures of the two conformers. There exists a controversy as to which of the two conformers is the lowest energy one. Our present observation led to the conclusion that s-trans-3-propenalyl is the lowest energy conformer.

3.
Phys Chem Chem Phys ; 24(41): 25099-25105, 2022 Oct 27.
Article in English | MEDLINE | ID: mdl-36205179

ABSTRACT

Fourier transform microwave spectra for two isomers of the chlorine substituted vinyl radical have been observed in the 4-52 GHz frequency region. The observed radicals (2A') have been generated using electric discharges of diluted dichloro derivatives of ethylene as molecular precursors. Fine and hyperfine components observed for each rotational transition are fully assigned in the present study to two isotopologues (35Cl and 37Cl), and precise molecular constants are determined for both radicals.

4.
Phys Chem Chem Phys ; 24(19): 11585-11591, 2022 May 18.
Article in English | MEDLINE | ID: mdl-35522940

ABSTRACT

A Fourier-transform microwave spectrum of the cis-ß-cyanovinyl radical is re-measured for the Ka = 0 ladder of the a-type transitions up to 30 GHz and the 212-111 transition at 19.85 GHz. Four b-type transitions are also observed using a MW-MW double-resonance technique. Fine and hyperfine components observed for each rotational transition are fully assigned in the present study, and the precise molecular constants are determined for the radical. From the comparisons of the hyperfine coupling constants with those of the vinyl radicals, it is concluded that the substitution of one of the ß-hydrogens by the cyano group has little effect on the electronic structure of the vinyl radical.

5.
Magn Reson Med ; 78(6): 2265-2274, 2017 Dec.
Article in English | MEDLINE | ID: mdl-28198568

ABSTRACT

PURPOSE: To accelerate iterative reconstructions of compressed sensing (CS) MRI from 3D multichannel data using graphics processing units (GPUs). METHODS: The sparsity of MRI signals and parallel array receivers can reduce the data acquisition requirements. However, iterative CS reconstructions from data acquired using an array system may take a significantly long time, especially for a large number of parallel channels. This paper presents an efficient method for CS-MRI reconstruction from 3D multichannel data using GPUs. In this method, CS reconstructions were simultaneously processed in a channel-by-channel fashion on the GPU, in which the computations of multiple-channel 3D-CS reconstructions are highly parallelized. The final image was then produced by a sum-of-squares method on the central processing unit. Implementation details including algorithm, data/memory management, and parallelization schemes are reported in the paper. RESULTS: Both simulated data and in vivo MRI array data were tested. The results showed that the proposed method can significantly improve the image reconstruction efficiency, typically shortening the runtime by a factor of 30. CONCLUSIONS: Using low-cost GPUs and an efficient algorithm allowed the 3D multislice compressive-sensing reconstruction to be performed in less than 1 s. The rapid reconstructions are expected to help bring high-dimensional, multichannel parallel CS MRI closer to clinical applications. Magn Reson Med 78:2265-2274, 2017. © 2017 International Society for Magnetic Resonance in Medicine.


Subject(s)
Data Compression/methods , Image Processing, Computer-Assisted/methods , Magnetic Resonance Imaging/methods , Algorithms , Computer Graphics , Computer Simulation , Humans , Image Interpretation, Computer-Assisted/methods , Imaging, Three-Dimensional/methods , Knee/diagnostic imaging , Reproducibility of Results , Software
6.
Quant Imaging Med Surg ; 4(1): 19-23, 2014 Feb.
Article in English | MEDLINE | ID: mdl-24649431

ABSTRACT

Integrating compressed sensing (CS) and parallel imaging (PI) with multi-channel receiver has proven to be an effective technology to speed up magnetic resonance imaging (MRI). In this paper, we propose a method that extends the reweighted l 1 minimization to the CS-MRI with multi-channel data. The method applies a reweighted l 1 minimization algorithm to reconstruct each channel image, and then generates the final image by a sum-of-squares method. Computer simulations based on synthetic data and in vivo MRI imaging data show that the new method can improve the reconstruction quality at a slightly increased computation cost.

7.
Article in English | MEDLINE | ID: mdl-21097199

ABSTRACT

Compressed sensing (CS) is an emerging technology to speed up magnetic resonance imaging (MRI). Since most clinical MRI scanners are equipped with multi-channel receiver systems, there has been a number of works to integrate CS with multi-channel systems. In this paper, we propose a method that extends the reweighted l(1) minimization to the CS MRI with multi-channel data. The simulated experimental results show that the new method can provide improved reconstruction quality.


Subject(s)
Algorithms , Data Compression/methods , Image Enhancement/methods , Image Interpretation, Computer-Assisted/methods , Magnetic Resonance Imaging/methods , Reproducibility of Results , Sensitivity and Specificity
8.
Magn Reson Med ; 64(4): 1135-9, 2010 Oct.
Article in English | MEDLINE | ID: mdl-20564584

ABSTRACT

Compressed sensing (CS) is a promising method to speed up MRI. Because most clinical MRI scanners are equipped with multichannel receive systems, integrating CS with multichannel systems may not only shorten the scan time but also provide improved image quality. However, significant computation time is required to perform CS reconstruction, whose complexity is scaled by the number of channels. In this article, we propose a reconstruction procedure that uses ubiquitously available multicore central processing unit to accelerate CS reconstruction from multiple channel data. The experimental results show that the reconstruction efficiency benefits significantly from parallelizing the CS reconstructions and pipelining multichannel data into multicore processors. In our experiments, an additional speedup factor of 1.6-2.0 was achieved using the proposed method on a quad-core central processing unit. The proposed method provides a straightforward way to accelerate CS reconstruction with multichannel data for parallel computation.


Subject(s)
Algorithms , Brain/anatomy & histology , Data Compression/methods , Image Interpretation, Computer-Assisted/instrumentation , Image Interpretation, Computer-Assisted/methods , Magnetic Resonance Imaging/instrumentation , Magnetic Resonance Imaging/methods , Equipment Design , Equipment Failure Analysis , Humans , Reproducibility of Results , Sensitivity and Specificity
9.
Article in English | MEDLINE | ID: mdl-19964591

ABSTRACT

Compressed sensing (CS) has emerged as a promising method in the field of magnetic resonance imaging. Taking advantage of the signal sparsity in certain domain via L(1) minimization, CS requires only reduced k-space data to reconstruct an image. Since most clinical MRI scanners are equipped with multi-channel receiver systems, integrating CS with multi-channel systems may not only shorten the scan time but provide a better image quality. However, significant computation time is required to perform CS reconstruction. Furthermore, this burden will be scaled by the number of channels. In this paper, we proposed a reconstruction procedure, which uses multi-core processors to accelerate CS reconstruction from multiple channel data. The performance was tested in terms of comparing to different image sizes and using different number cores of CPU. Experimentally, it shows that the maximum efficiency benefits from parallelizing the CS reconstructions, pipelining multi-channel data on multi-core processors and choosing the numbers of channels as multiple numbers of cores.


Subject(s)
Image Processing, Computer-Assisted/methods , Magnetic Resonance Imaging/instrumentation , Magnetic Resonance Imaging/methods , Algorithms , Computer Graphics , Computer Simulation , Computers , Data Compression/methods , Equipment Design , Humans , Image Enhancement/methods , Models, Theoretical , Pattern Recognition, Automated , Software , User-Computer Interface
10.
IEEE Trans Image Process ; 13(3): 416-29, 2004 Mar.
Article in English | MEDLINE | ID: mdl-15376932

ABSTRACT

This work presents a novel algorithm using color contrast enhancement and lacuna texture synthesis is proposed for the virtual restoration of ancient Chinese paintings. Color contrast enhancement based on saturation and de-saturation is performed in the u'v'Y color space, to change the saturation value in the chromaticity diagram, and adaptive histogram equalization then is adopted to adjust the luminance component. Additionally, this work presents a new patching method using the Markov Random Field (MRF) model of texture synthesis. Eliminating undesirable aged painting patterns, such as stains, crevices, and artifacts, and then filling the lacuna regions with the appropriate textures is simple and efficient. The synthesization procedure integrates three key approaches, weighted mask, annular scan and auxiliary, with neighborhood searching. These approaches can maintain a complete shape and prevent edge disconnection in the final results. Moreover, the boundary between original and synthesized paintings is seamless, and unable to distinguish in which the undesirable pattern appears.


Subject(s)
Algorithms , Archaeology/methods , Image Enhancement/methods , Image Interpretation, Computer-Assisted/methods , Information Storage and Retrieval/methods , Paintings , Signal Processing, Computer-Assisted , Anthropology, Cultural/methods , Archives , China , Color , Pattern Recognition, Automated , Quality Control , Reproducibility of Results , Sensitivity and Specificity
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