• Title/Summary/Keyword: TD

Search Result 813, Processing Time 0.029 seconds

A Comparison of the Density Functional Theory Based Methodologies for the Triplet Excited State of 𝛑-Conjugated Molecules: Time-Dependent DFT (TD-DFT), TD-DFT within Tamm-Dancoff Approximation (TDA-DFT), and Spin-Unrestricted DFT (UDFT) (𝛑-공액계 분자의 삼중항 여기 상태에 대한 Density Functional Theory (DFT)에 기반한 계산 방법들의 비교: 시간-의존 DFT (TD-DFT), Tamm-Dancoff 근사법을 적용한 DFT (TDA-DFT), 스핀-비제한 DFT (UDFT))

  • Ahn, Chang Hwan;Kim, Dongwook
    • Journal of the Korean Chemical Society
    • /
    • v.63 no.2
    • /
    • pp.73-77
    • /
    • 2019
  • We compared methodologies based on the density functional theory (DFT), e.g., time-dependent DFT (TD-DFT), TD-DFT within Tamm-Dancoff approximation (TDA-DFT), and spin-unrestricted DFT (UDFT), that are usually employed to optimize the geometries of ${\pi}$-conjugated molecules in their lowest lying triplet excited ($T_1$) state. As a model system for ${\pi}$-conjugated molecules, we employed 1,2,3,4,5-pentacyano-6-phenyl-benzene. In conjunction with 6-31G(d) basis sets, we made use of gap-tuned range-separated ${\omega}B97X$ functional which is often employed recently in the calculations of molecular excited states. Near the equilibrium geometries, we found that the important difference between the geometries derived at UDFT level and those at TD-DFT or TDA-DFT methods: more stable ground-state energies but higher triplet excitation energies for UDFT derived geometries. In the studies, we discuss such differences in more detail.

Effect of Short Circuit Time Ratio and Current Control Pattern on Spatter Generation in $CO_2$ Welding ($CO_2$용접의 스패터 발생에 미치는 단락시간비 및 단락전류 파형제어의 영향)

  • 조상명
    • Journal of Welding and Joining
    • /
    • v.21 no.1
    • /
    • pp.48-53
    • /
    • 2003
  • The object of this study is to examine the effect of short circuit time ratio (SCTR) and current rise delay time (Td) on the spatter generation at low and medium current range in $CO_2$ welding. The spatter was evaluated by the weight generated in the welding of bead-on-plate for 30 seconds (3 times). Td was varied by order of 0, 0.4, 0.8 and 1.2 msec. At each Td, the short circuit time ratio was varied by the output voltage of the welding power source. In the low current range, it was found that the optimum SCTR was 20~25%, and the minimum spatter generation weight was obtained in the case of Td=0.4msec and SCTR=22% even though the remarkable difference was not showed by the application of Td. In the medium current range, it was confirmed that the arc was stable though the SCTR was increased from 20% to 40% by the control of current wave. Spatter generation weight depended on the variation of Td, and the lowest value of spatter generation weight occurred at Td=0.8~1.2msec.

Association between Tardive Dyskinesia and T103C Polymorphisms of 5-$HT_{2A}$ Receptor Gene (지연성 운동장애와 5-$HT_{2A}$ 수용체 유전자 T103C 다형성과의 관계)

  • Hahn, Sang Woo;Shin, Jeong Won;Choi, Tae Youn;Woo, Sung Il;Jung, Han Yong;Jung, Hee Yeoun;Han, Sun Ho
    • Korean Journal of Biological Psychiatry
    • /
    • v.10 no.2
    • /
    • pp.133-140
    • /
    • 2003
  • Objective:Some candidate gene polymorphisms were reported to be associated with tardive dyskinesia (TD). The aim of this study was to investigate the association of the 5-$HT_{2A}$ receptor gene polymorphisms with TD in Korean schizophrenic subjects. Method:Subjects were of 59 schizophrenic patients with TD and 60 schizophrenic patients without TD for studying of 5-$HT_{2A}$ receptor gene polymorphisms. TD was evaluated using the Abnormal Involuntary Movement Scale(AIMS). Genomic DNA was amplified by PCR and digestion with MspI and BsmI. Result:There were no statistically significant differences in the demographic variables, such as age, male to female percentage, duration of illnesses and duration of antipsychotic drug exposure between the TD group and control group. 1) T102C polymorphisms and TD Comparing the TD group and control group, the 102T/C allele was associated with a significantly increased risk for TD (${\chi}^2$=5.560, df=1, p=0.018). 2) Three AIMS categories of TD and T102C genotype. There were statistically significant differences in the three AIMS categories(${\chi}^2$=6.835, df=2, p=0.033). Conclusion:These result suggest 102T/C genotypes of the 5-$HT_{2A}$ receptor gene are related to the development of TD. The 102T/C genotypes were associated with significantly higher AIMS orofacial dyskinesia scores. These findings suggest that the 5-$HT_{2A}$ receptor gene is significantly associated with susceptibility to TD in patients with chronic schizophrenia.

  • PDF

Data rate control for suppression of inter-cell interference in TD-SCDMA systems (TD-SCDMA에서 셀간 간섭 억제를 위한 전송속도 제어)

  • Yeo, Woon-Young;Lee, Sang-Yun
    • Proceedings of the IEEK Conference
    • /
    • 2008.06a
    • /
    • pp.265-266
    • /
    • 2008
  • TD-SCDMA combines TDMA and CDMA components to provide more efficient use of radio resources. However, since the same frequency band is used in both the uplink and downlink, serious interference may occur if the base stations are not synchronized. The interference caused by different transmission directions between neighboring cells is called cross-slot interference. This paper proposes a data rate control algorithm that can decrease the cross-slot interference in TD-SCDMA.

  • PDF

Assessment of New Algicide Thiazolidinedione (TD49) for the Control of Marine Red Tide Organisms (해양적조생물제어를 위한 살조물질 Thiazolidinedione 유도체(TD49) 평가)

  • Baek, Seung-Ho;Jang, Min-Chul;Joo, Hae-Mi;Son, Moon-Ho;Cho, Hoon;Kim, Young-Ok
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
    • /
    • v.17 no.1
    • /
    • pp.9-15
    • /
    • 2012
  • Worldwide development of harmful algal blooms causes serious problem for public health and fisheries industries. To evaluate the algicidal impact on the harmful algae bloom species in aquatic ecosystems of coast, a new algicide thiazolidinedione derivative (TD49) were tentatively examined in the growth stages (i.e., lag, logarithmic and stationary phase) of rapidophyceae $Heterosigma$ $akashiwo$, $Chattonella$ $marina$ and $Chattonella$ sp..Three strains could easily destroy in the lag phase due to relatively weak cell walls than those of the logarithmic and stationary phase. It is thought that inoculation of TD49 substances into initial or developmental natural blooms with a threshold concentration ($2{\mu}M$) can maximize the algicidal activity. Also, bio-chemical assays revealed that the algicidal substances from all culture strains were likely to be extracellular substances because those cells have easily destroyed in cell walls. On the other hand, natural zooplankton communities were influenced within the exposure experiments of $2{\mu}M$, which is showed the maximum algcidal activity of tested organisms. These results indicate that although the TD49 substance is potential agents for the control of $H.$ $akashiwo$, $C.$ $marina$ and $Chattonella$ sp. in the enclosed eutrophic bay and coastal water, more detailed research of acute toxicity effect on high trophic organism in marine ecosystems need to be conducted.

A Reinforcement Loaming Method using TD-Error in Ant Colony System (개미 집단 시스템에서 TD-오류를 이용한 강화학습 기법)

  • Lee, Seung-Gwan;Chung, Tae-Choong
    • The KIPS Transactions:PartB
    • /
    • v.11B no.1
    • /
    • pp.77-82
    • /
    • 2004
  • Reinforcement learning takes reward about selecting action when agent chooses some action and did state transition in Present state. this can be the important subject in reinforcement learning as temporal-credit assignment problems. In this paper, by new meta heuristic method to solve hard combinational optimization problem, examine Ant-Q learning method that is proposed to solve Traveling Salesman Problem (TSP) to approach that is based for population that use positive feedback as well as greedy search. And, suggest Ant-TD reinforcement learning method that apply state transition through diversification strategy to this method and TD-error. We can show through experiments that the reinforcement learning method proposed in this Paper can find out an optimal solution faster than other reinforcement learning method like ACS and Ant-Q learning.

Therapeutic Duplication as a Medication Error Risk in Fixed-Dose Combination Drugs for Dyslipidemia: A Nationwide Study

  • Wonbin Choi;Hyunji Koo;Kyeong Hye Jeong;Eunyoung Kim;Seung-Hun You;Min-Taek Lee;Sun-Young Jung
    • Korean Journal of Clinical Pharmacy
    • /
    • v.33 no.3
    • /
    • pp.168-177
    • /
    • 2023
  • Background & Objectives: Fixed-dose combinations (FDCs) offer advantages in adherence and cost-effectiveness compared to free combinations (FCs), but they can also complicate the prescribing process, potentially leading to therapeutic duplication (TD). This study aimed to identify the prescribing patterns of FDCs for dyslipidemia and investigate their associated risk of TD. Methods: This was a retrospective cohort study involving drugs that included statins, using Health Insurance Review & Assessment Service-National Patient Sample (HIRA-NPS) data from 2018. The unit of analysis was a prescription claim. The primary outcome was TD. The risk ratio of TD was calculated and adjusted for patient, prescriber, and the number of cardiovascular drugs prescribed using a multivariable Poisson model. Results: Our study included 252,797 FDC prescriptions and 515,666 FC prescriptions. Of the FDC group, 46.52% were male patients and 56.21% were aged 41 to 65. Ezetimibe was included in 71.61% of the FDC group, but only 0.25% of the FC group. TD occurred in 0.18% of the FDC group, and the adjusted risk ratio of TD in FDC prescriptions compared to FC was 6. 44 (95% CI 5. 30-7. 82). Conclusions: Prescribing FDCs for dyslipidemia was associated with a higher risk of TD compared to free combinations. Despite the relatively low absolute prevalence of TD, the findings underline the necessity for strategies to mitigate this risk when prescribing FDCs for dyslipidemia. Our study suggests the potential utility of Clinical Decision Support Systems and standardizing nomenclature in reducing medication errors, providing valuable insights for clinical practice and future research.

Functional Role of the Internal Guide Sequence in Splicing Activity of T4 Thymidylate Synthase Gene in vivo (T4 티미딜산 생성효소 유전자의 Splicing 활성에 있어 Internal Guide Sequence 구조의 기능적 역할)

  • Shin, Sook;Park, In-Kook
    • Korean Journal of Microbiology
    • /
    • v.31 no.3
    • /
    • pp.208-213
    • /
    • 1993
  • The structural and functional roles of IGS element of T4 td intron in thymidylate synthase activity in vivo were investigated Site-directed mutagenesis was employed to crete mutations of IGS element of T4 td intron, When a U-G pari was changed to a U-C pari in the 5' splice site of P1 stem of td intron, the activity of thymidylate synthase was completely abolished whereas the wild type retained the normal activity of enzyme. When U at 12 position within IGS element was changed to C, the activity of thymidylate synthase was approximately 32% of that of the wild type. Comparison of enzyme activities suggests that IGS element within P1 structure is an essential requirement for splicing of td gene in vivo.

  • PDF

Recent Trends on Network Roll-out and Service Introduction of TD-LTE Major Operators in the World (TD-LTE 주요 사업자의 네트워크 구축 및 서비스 추진 동향)

  • Seol, S.H.;Kweon, S.C.
    • Electronics and Telecommunications Trends
    • /
    • v.28 no.5
    • /
    • pp.209-220
    • /
    • 2013
  • 본 논문은 최근 중요성이 부각되고 있는 TD-LTE의 기술 특성과 주요 사업자의 네트워크 구축 및 서비스 추진동향에 대하여 분석 정리하였다. 기존에 발간된 문헌들이 주로 차이나 모바일 및 중국의 정책 동향에 초점을 맞추고 있는데 반해, 본 논문에서는 TD-LTE 사업자의 유형을 세분화하였고 각 유형별로 대표적인 사업자를 선정하여 네트워크 구축 및 서비스 추진동향을 고찰하였다. 본 논문에서 수행한, 정성적인 동향분석 결과에 따르면 TD-LTE가 전체 LTE시장에서 차지하는 비중은 2년전 Ovum, Pyramid사 등 전문기관들이 예측한 수치보다는 다소 낮을 것으로 판단된다. 또한, 국내 사업자의 경우 주로 트래픽 우회를 위한 네트워크로써 활용이 가능한데, 보다 유연한 정책적 접근이 요구된다고 사료된다.

  • PDF

Downlink code management for dynamic resource allocation in TD-SCDMA systems (TD-SCDMA에서 동적 무선자원 할당을 위한 하향링크 코드 관리)

  • Yeo, Woon-Young;Lee, Sang-Yun
    • Proceedings of the IEEK Conference
    • /
    • 2008.06a
    • /
    • pp.261-262
    • /
    • 2008
  • TD-SCDMA is considered as an innovative Chinese 3G technology adopted by the ITU for the IMT-2000 family. TD-SCDMA combines TDMA and CDMA components to provide more efficient use of radio resources. However, the downlink scheduler of TD-SCDMA should transmit data packets with the initial configuration and cannot change the configuration dynamically. Therefore, in this paper, we propose an enhanced channel allocation, by which mobile terminals can share the downlink channelization codes dynamically.

  • PDF