• Bulletin of the Korean Chemical Society
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• 제7권4호
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• pp.262-266
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• 1986

A multi-reference many-body perturbation theory (MRMBPT) method is critically tested in second order by comparing with the corresponding configuration interaction (CI) calculations. Excitation energies of the four-valence-electron states of transition metal atoms and ions are used for the comparison. The agreement between the second order MRMBPT and CI calculations is very reasonable, confirming the reliability of the second order MRMBPT method. The reliability of calculations with the present second order MRMBPT method was only been inferred empirically in the past since most results have been gauged by the agreement with experiment and/or with other MRMBPT calculations based upon different sets of orbitals and configuration spaces. The present MRMBPT method appears to be an efficient ab initio multi-reference method for the calculation of electron correlation effects in atoms and molecules, and it is shown how MRMBPT can be used to estimate core-core and core-valence correlation effects which are often omitted in CI calculations because too many configurations and correlating electrons are involved.

• Bulletin of the Korean Chemical Society
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• 제34권6호
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• pp.1771-1778
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• 2013

For the excited states of a hydrogen molecule up to n = 3 active spaces, potential energy curves (PECs) are obtained for values of the internuclear distance R in the interval [0.5, 10] a.u. within an accuracy of $1{\times}10^{-4}$ a.u. (Hartree) compared to the accurate PECs of Kolos, Wolniewicz, and their collaborators by using the multi-reference configuration-interaction method and Kaufmann's Rydberg basis functions. It is found that the accuracy of the PECs can be further improved beyond $1{\times}10^{-4}$ a.u. for that R interval by including the Rydberg basis functions with angular momentum quantum numbers higher than l = 4.

• Asian Pacific Journal of Cancer Prevention
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• 제17권5호
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• pp.2605-2610
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• 2016

The International Myeloma Working Group considers the serum free light chain (SFLC) assay to be an adjunct to traditional tests. Apart from the FLC ratio, the absolute values of individual free light chains also are gaining importance as they appear to be more relevant in certain clinical settings. Automated assays are available for their determination. As laboratories put new test systems into use catering to different disease populations, they are required by accreditation and certification bodies to verify or establish performance specifications, including reference intervals (RIs) representative of their population. Our aim was to establish local RIs for SFLC in a multicentre representative healthy population using a robust method. There was no significant relationship between SFLC levels and age, gender and creatinine levels. The 95% RI for ${\kappa}SFLC$ was 4.81 to 33.86mg/L, for ${\lambda}$ SFLC was 5.19 to 23.67mg/L and for ${\kappa}/{\lambda}SFLC$ was 0.36 to 2.33, significantly higher than the values given by the manufacturer. The ${\kappa}/{\lambda}$ SFLC ratio at 2.23, covering 100% of the data, showed 72% sensitivity (95% CI=39.0 - 94.0), 100% specificity (95% CI=71.5 - 100.0), 100% PPV (95% CI=21.5 - 100.0), 95% NPV (95% CI=75.4 - 99.9), and 79% accuracy (95% CI=56.0 - 93.0). In the patient group, kit RI for ${\kappa}/{\lambda}$ SFLC ratio classified 45.5% (n=5) as positive vs 9.1% (n=1) positive by the study RI, while the kit RI for kappa FLC classified 90.9% (n=10) as positive vs 54.5% (n=6), indicating increased probability of false positive test results with the kit RI when applied to our patient population. Appropriate and specific reference intervals and criteria values result in fewer false-positive and false-negative results which means fewer wrong or missed diagnoses.

• Asian Pacific Journal of Cancer Prevention
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• 제15권18호
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• pp.7947-7950
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• 2014

Background: Pancreatic cancer is the sixth leading cause of cancer death with an increasing trend in China. Dietary intake is believed to play an important role in pancreatic cancer carcinogenesis. The aim of this paper was to evaluate associations between some dietary factors and risk of pancreatic cancer in a multi-centre case-control study conducted in China. Materials and Methods: Cases (n=323) were ascertained from four provincial cancer hospitals. Controls (n=323) were randomly selected from the family members of patients without pancreatic cancer in the same hospitals, 1:1 matched to cases by gender, age and study center. Data were collected with a questionnaire by personal interview. Odds ratios (OR) and 95% confidence intervals (95%CI) were estimated using conditional logistic regression. Results: Tea intake (OR =0.49; 95%CI: 0.30-0.80) was associated with a half reduction in risk of pancreatic cancer. Reduced vegetable consumption (P trend: 0.04) was significant related to pancreatic cancer. Although no significant association was found for meat and fruit, ORs were all above or below the reference group. A protective effect was found for fruit (OR=1.73 for consumption of 1-2 times/week vs more than 3 times/week; 95%CI: 1.05-2.86). A high intake of meat was associated to a higher risk of pancreatic cancer (OR=0.59 for consumption of 1-2 times/week vs. more than 3 times/week; 95%CI: 0.35-0.97). Conclusions: The present study supports fruit consumption to reduce pancreatic cancer risk and indicates that high consumption of meat is related to an elevated risk. Direct inverse relations with tea and vegetable intake were also confirmed.

• Bulletin of the Korean Chemical Society
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• 제35권5호
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• pp.1422-1432
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• 2014

Convergent all-electron multi-reference configuration-interaction (MRCI) calculations are performed for a lithium dimer with Kaufmann's Rydberg basis functions. A comparison of the results of these calculations with those of the effective core potential/core polarization potential (ECP/CPP) method and experimental data reveals the deficiency of the all-electron ab initio method. The deficiency is related to the mere 51.9% attainment of electron correlation for the ground state. The percent attainment of electron correlation for the first excited state is slightly better than that for the ground state, preventing us from obtaining better agreements with experimental data by means of increasing the size of basis sets. The Kaufmann basis functions are then used with the ECP/CPP method to obtain the accurate convergent potential energy curves for the $^1\prod_u$ states correlated to Li(2p) + Li(2p) and Li(2s) + Li(n = 2, 3, 4). Quantum defect curves (QDCs) calculated for both the $X^2\sum_g$ and 1 $^2\prod_u$ states of the $Li{_2}^+$ ion and the Lu-Fano plot reveal a strong series-series interaction between the two $2snp{\pi}$ and $2pnp{\pi}$ Rydberg series. The QDCs are then used to resolve assignment problems in the literature. The reassignments, performed by Jedrzejewski-Szemek et al., of the dissociation product of the D $^1\prod$ state from (2s+3d) to (2s+3p) and that of the 6 $^1\prod_u$ from (2s+4d) to (2s+4p) are found to be incorrect. It may be more natural to assign their $2snp{\pi}$ Rydberg series as a $2snd{\pi}$ series. The state, assigned as 5p $^1\prod_u$ by Ross et al. and 4d $^1\prod$ by Jedrzejewski-Szemek et al., is assigned as the 7 $^1\prod_u$ state, correlated to the Li(2s) + Li(4f) limit.

• Nuclear Engineering and Technology
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• 제55권2호
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• pp.452-459
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• 2023

The core power control is an important issue for the study of dynamic characteristics in China initiative accelerator driven subcritical system (CiADS), which has direct impact on the control strategy and safety analysis process. The CiADS is an experimental facility that is only controlled by the proton beam intensity without considering the control rods in the current engineering design stage. In order to get the optimized operation scheme with the stable and reliable features, the variation of beam intensity using the continuous and periodic control approaches has been adopted, and the change of collimator and the adjusting of duty ratio have been proposed in the power control process. Considering the neutronics and the thermal-hydraulics characteristics in CiADS, the physical model for the core power control has been established by means of the point reactor kinetics method and the lumped parameter method. Moreover, the multi-inputs single-output (MISO) logical structure for the power control process has been constructed using proportional integral derivative (PID) controller, and the meta-heuristic algorithm has been employed to obtain the global optimized parameters for the stable running mode without producing large perturbations. Finally, the verification and validation of the control method have been tested based on the reference scenarios in considering the disturbances of spallation neutron source and inlet temperature respectively, where all the numerical results reveal that the optimization method has satisfactory performance in the CiADS core power control scenarios.

• Korean Journal of Radiology
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• 제23권3호
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• pp.343-354
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• 2022

Objective: To develop and evaluate a deep learning-based artificial intelligence (AI) model for detecting skull fractures on plain radiographs in children. Materials and Methods: This retrospective multi-center study consisted of a development dataset acquired from two hospitals (n = 149 and 264) and an external test set (n = 95) from a third hospital. Datasets included children with head trauma who underwent both skull radiography and cranial computed tomography (CT). The development dataset was split into training, tuning, and internal test sets in a ratio of 7:1:2. The reference standard for skull fracture was cranial CT. Two radiology residents, a pediatric radiologist, and two emergency physicians participated in a two-session observer study on an external test set with and without AI assistance. We obtained the area under the receiver operating characteristic curve (AUROC), sensitivity, and specificity along with their 95% confidence intervals (CIs). Results: The AI model showed an AUROC of 0.922 (95% CI, 0.842-0.969) in the internal test set and 0.870 (95% CI, 0.785-0.930) in the external test set. The model had a sensitivity of 81.1% (95% CI, 64.8%-92.0%) and specificity of 91.3% (95% CI, 79.2%-97.6%) for the internal test set and 78.9% (95% CI, 54.4%-93.9%) and 88.2% (95% CI, 78.7%-94.4%), respectively, for the external test set. With the model's assistance, significant AUROC improvement was observed in radiology residents (pooled results) and emergency physicians (pooled results) with the difference from reading without AI assistance of 0.094 (95% CI, 0.020-0.168; p = 0.012) and 0.069 (95% CI, 0.002-0.136; p = 0.043), respectively, but not in the pediatric radiologist with the difference of 0.008 (95% CI, -0.074-0.090; p = 0.850). Conclusion: A deep learning-based AI model improved the performance of inexperienced radiologists and emergency physicians in diagnosing pediatric skull fractures on plain radiographs.

• 한국군사과학기술학회지
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• 제20권4호
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• pp.587-596
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• 2017

In this study, multi-chambered single autoinjector(2in1) and KMARK-1 containing atropine and 2-PAM(pyridine-2-aldoxime methylchloride) were administered to the beagle's muscle, and blood samples were taken for a certain period of time to compare and evaluate the pharmacokinetic profiles of the two drugs. Male beagles were used and classified into two test groups(G1, G2), and crossover pharmacokinetic studies were performed in two test groups. Blood samples were collected from the jugular vein for analysis after administration. The 90 % confidence interval(CI) for log transformed data indicated that the Cmax for both atropine(log 0.9683 ~ log 1.113) and 2-PAM(log 0.9453 ~ log 1.214) was within the limits of bioequivalence criteria, but the AUC for atropine(log 1.1786 ~ log 1.3238) failed to meet this criteria. This is expected as the amount of atropine dose is 25 % higher for the test as compared to the reference formulation. In summary, in view of the ATNAA(antidote for nerve agent of US) authorization, the Cmax equivalence was more important than AUC equivalence, so in this study, we also focused on verifying the equality of Cmax between the two autoinjectors.

• 한국의학물리학회지:의학물리
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• 제17권4호
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• pp.232-237
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• 2006

본 연구의 목적은 Ir-192 선원의 검교정을 겉보기 방사능(apparent activity)을 이용하지 않고 물속 기준점에서 흡수선량을 측정함으로써 공기커마 세기(air-kerma strength, Sk)를 계산하고자 알고리즘을 개발하였다. 연구를 위하여 근접치료용 다목적 팬톰(multi purpose brachytherapy Phantom, MPBP)을 제작하였다. 물 흡수선량 측정은 고선량률 근접치료기(micro-Selectron, Nucletron, Netherlands)에 장착된 Ir-192 선원(Mallinckrodt Medical B.V., Netherlands)을 대상으로 측정하였다. 물 흡수선량은 몬테칼로 계산방법으로 계산된 이온전리함(TM30013, PTW, Germany)의 물 흡수선량 교정인자($N_{D.W.Q}$)를 이용하여 결정하였다. 물 흡수선량은 한 개의 선원에 대하여 4 cm에서 7 cm까지 측정하였다. 측정된 값은 전산화 치료계획 장치에서(plato BPS, ver 13.2, Nucletron, Netherlands) 계산된 값과 비교하였다. 공기커마 세기(Sk)는 기준점 5 cm되는 곳에서 3개의 Ir 선원에 대하여 구하였다. 계산된 공기커마 세기는 선원제조사에서 제공된 값과 비교하였다. 몬테칼로 계산방법으로 계산된 이온전리함의 물 흡수선량 교정인자는 5.28 cGy/nC이었다. 한 개 선원에서 측정한 물 흡수선량 값은 -2.16%에서 -0.84%까지 상대오차를 나타내었다. 공기커마 세기는 제조사에서 제공된 값과 비교하여 -0.6%에서 +1.8% 제조사 권고치 ${\pm}5%$ 이내로 잘 일치하였다. 본 연구에서 개발한 알고리즘은 기준점에서의 물 흡수선량을 정확히 결정함으로써 선원의 공기커마 세기를 구할 수 있었다. 이러한 물 흡수선량을 통한 Ir-192 선원의 검교정 방법들은 미국의학물리학회(AAPM) 보고서 TG-43에서 권고한 흡수선량 계산 알고리즘에 바로 적용할 수 있는 것으로 사료된다.