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Theoretical elucidation of rare earth extraction and separation by diglycolamides from crystal structures and DFT simulations

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Journal of Rare Earths 2021年第7期39卷 858-865,I0004页

作者： Xiujing Peng Jianhui Su Hao Li Yu Cui Jin yong lee Guoxin Sun Institute for Smart Materials&Engineering School of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China Department of Chemistry Sungkyunkwan UniversitySuwon 16419Republic of Korea

Diglycolamides(DGAs) show excellent application prospects for the extraction and separation of rare earth metals from highly radioactive liquid wastes and rare earth *** extraction ability of DGAs for rare earth ions in nitrate or chloride media increases with increasing atomic number of the rare earth *** understand the origin of this phenomenon,three binuclear crystals [Ln(TEDGA)_(3)][Ln(NO_(3))_(6)] of N,N,N’,N’-tetraethyldiglycolamide(TEDGA) with rare earth ions La(Ⅲ),Pr(Ⅲ) and Eu(III) were prepared and characterized *** three complexes belong to the triclinic crystal system,P-1 space *** bond lengths of Ln-O_(amide) are significantly shorter than those of Ln-O_(ether) in the same *** Ln-O_(amide) and Ln-O_(enher) bond lengths gradually decrease with increasing atomic number of the rare earth *** dihedral angle formed by TEDGA and metal ions through the tridentate coordination gradually increases with increasing metal ion atomic number,tending toward the formation of sizeable planar coordination structures for the most massive rare earth *** structures of the compounds formed by the extractant and metal ion were optimized by means of DFT *** find that the interaction between TEDGA and the rare earth ion is dominated by electrostatic interaction by analyzing binding energy,WBIs,Mulliken charge,natural electron configurations,and molecular orbital *** covalent component of the Ln-O bonds of the complexes increases with increasing metal atomic *** observed increase in extraction and separation capacity of diglycolamides for rare earth ions with increasing atomic number might be due to the formation of two fivemember rings by one tridentate *** rare earth ions with large atomic numbers tend to form planar structures with large dihedral angles with DGA ligands.

关键词： Diglycolamide Extraction Separation Rare earth Crystal structures DFT simulations

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Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor

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npj Computational Materials 2018年第1期4卷 503-509页

作者： Kanghoon Yim yong Youn Miso lee Dongsun Yoo Joohee lee Sung Haeng Cho Seungwu Han Department of Materials Science and Engineering and Research Institute of Advanced Materials Seoul National UniversitySeoul 08826Korea Electronics and Telecommunications Research Institute(ETRI) Daejeon 34129Korea Korea Institute of Energy Research Daejeon 34129Korea

The ultimate transparent electronic devices require complementary and symmetrical pairs of n-type and p-type transparent *** several n-type transparent oxide semiconductors like InGaZnO and ZnO are available and being used in consumer electronics,there are practically no p-type oxides that are comparable to the n-type counterpart in spite of tremendous efforts to discover ***,high-throughput screening with the density functional theory calculations attempted to identify candidate p-type transparent oxides,but none of suggested materials was verified experimentally,implying need for a better theoretical ***,we propose a highly reliable and computationally efficient descriptor for p-type dopability—the hydrogen impurity *** show that the hydrogen descriptor can distinguish well-known p-type and n-type *** the hydrogen descriptor,we screen most binary oxides and a selected pool of ternary compounds that covers Sn^(2+)-bearing and Cu^(1+)-bearing oxides as well as *** a result,we suggest La_(2)O_(2)Te and CuLiO as promising p-type oxides.

关键词： transparent semiconductors oxide

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High-temperature deformation behaviors of Ti-2Al-9.2Mo-2Fe alloy with boron

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Rare Metals 2023年第5期42卷 1695-1705页

作者： Rong Chen Song-Xiao Hui Wen-Jun Ye Yang Yu Xu-Jun Mi Dong-Geun lee yong-Tai lee State Key Laboratory for Nonferrous Metal and Processing General Research Institute for Nonferrous MetalsBeijing100088China Department of Materials Metallurgical Engineering Sunchon National UniversitySunchon57922Korea Department of Nano New Materials Kyungnam UniversityChangwon51767Korea

Hot deformation behaviors of Ti-2Al-9.2Mo-2Fe alloy with boron were investigated in a hot compression test at temperatures ranging from 850 to 1000℃and strain rates ranging from 0.01 to 10.00 s^(-1).With strain rate decreasing and deformation temperature increasing,dynamic recrystallization(DRX)was promoted in both *** nucleation mechanism of DRX involved grain boundary bulging and subgrain *** case of deformation at low temperatures and high strain rates,the boronfree alloy only showed dynamic recovery(DRV)***,due to the particle-stimulated nucleation mechanism of recrystallization by TiB particles,the boron-containing alloy shows DRX at that *** DRX grain nuclei are formed by lattice rotation and subgrain growth from deformation zone in the initial grains,which are close to those of TiB ***,the flow stress of the boron-containing alloy is lower than that of the boron-free alloy due to the grain refinement during hot deformation process.

关键词： Newβtitanium alloy Boron addition Hot deformation Particle-stimulated nucleation Dynamic recrystallization

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Association between cytochrome CYP17A1, CYP3A4, and CYP3A43 polymorphisms and prostate cancer risk and aggressiveness in a Korean study population

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Asian Journal of Andrology 2015年第2期17卷 285-291,I0010页

作者： Jun Hyun Han yong Seong lee Hae Jong Kim Shin Young lee Soon Chul Myung Department of Urology Hallym University Dongtan Sacred Heart Hospital Hwaseong-si 445-170 Korea Department of Urology Hallym University Kangnam Sacred Heart Hospital Seoul 150-950 Korea Advanced Urogenital Disease Research Center Chung-Ang University College of Medicine Seoul 156-756 Korea Research Institute for Translational System Biomics Chung-Ang University College of Medicine Seoul 156-756 Korea Department of Urology Seoul Medical Center Seoul 131-865 Korea Department of Urology Chung-Ang University Hospital Seou1156-756 Korea.

In this study, we evaluated genetic variants of the androgen metabolism genes CYP17A1, CYP3A4, and CYP3A43 to determine whether they play a role in the development of prostate cancer （PCa） in Korean men. The study population included 240 pathologically diagnosed cases of PCa and 223 age-matched controls. Among the 789 singie-nucleotide polymorphism （SNP） database variants detected, 129 were reported in two Asian groups （Han Chinese and Japanese） in the HapMap database. Only 21 polymorphisms of CYP17A1, CYP3A4, and CYP3A43 were selected based on linkage disequilibrium in Asians （d = 1）, locations （SNPs in exons were preferred）, and amino acid changes and were assessed. In addition, we performed haplotype analysis for the 21 SNPs in CYP17A1, CYP3A4, and CYP3A43 genes. To determine the association between genotype and haplotype distributions of patients and controls, logistic analyses were carried out, controlling for age. Twelve sequence variants and five major haplotypes were identified in CYP17A1. Five sequence variants and two major haplotypes were identified in CYP3A4. Four sequence variants and four major haplotypes were observed in CYP3A43. CYP17A1 haplotype-2 （Ht-2）（odds ratio [OR], 1.51; 95% confidence interval [Cl], 1.04-2,18） was associated with PCa susceptibility. CYP3A4 Ht-2 （OR. 1.87; 95% CI. 1.02-3.43） was associated with PCa metastatic potential according to tumor stage, rs17115149 （OR： 1.96; 95% Ch 1.04-3.68） and CYP17A1 Ht-4 （OR： 2.01; 95% Ch 1.07-4.11） showed a significant association with histologic aggressiveness according to Gleason score. Genetic variants of CYP17A1 and CYP3A4 may play a role in the development of PCa in Korean men.

关键词： androgens CYP17A1 CYP3A4 CYP3A43 genetics prostatic neoplasms

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Enhancing ammonia production rates from electrochemical nitrogen reduction by engineering three-phase boundary with phosphorus-activated Cu catalysts

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Journal of Energy Chemistry 2023年第9期84卷 394-401页

作者： Jeehye Kim Cho Hee lee yong Hyun Moon Min Hee lee Eun Hyup Kim Sun Hee Choi Youn Jeong Jang Jae Sung lee School of Energy and Chemical Engineering Ulsan National Institute of Science and Technology(UNIST)Ulsan 44919Republic of Korea Department of Chemical Engineering Hanyang UniversitySeoul 04763Republic of Korea Pohang Accelerator Laboratory(PAL) Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea

Electrochemical N_(2) reduction reaction(eNRR) over Cu-based catalysts suffers from an intrinsically low activity of Cu for activation of stable N_(2) molecules and the limited supply of N_(2) to the catalyst due to its low solubility in aqueous ***,we propose phosphorus-activated Cu electrocatalysts to generate electron-deficient Cu sites on the catalyst surface to promote the adsorption of N_(2) *** eNRR system is further modified using a gas diffusion electrode(GDE) coated with polytetrafluoroethylene(PTFE) to form an effective three-phase boundary of liquid water-gas N_(2)-solid catalyst to facilitate easy access of N_(2) to the catalytic *** a result,the new catalyst in the flow-type cell records a Faradaic efficiency of 13.15% and an NH_(3) production rate of 7.69 μg h^(-1) cm^(-2) at-0.2 V_(RHE),which represent 3.56 and 59.2 times increases from those obtained with a pristine Cu electrode in a typical electrolytic *** work represents a successful demonstration of dual modification strategies;catalyst modification and N_(2) supplying system engineering,and the results would provide a useful platform for further developments of electrocatalysts and reaction systems.

关键词： Electrochemical nitrogen reduction reaction Ammonia production Phosphorous modified copper electrodes Gas diffusion electrodes Three-phase boundary PTFE coating

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Ionizing terahertz waves with 260 MV/cm from scalable optical rectification

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Light(Science & Applications) 2024年第6期13卷 1075-1087页

作者： Hyeongmun Kim Chul Kang Dogeun Jang Yulan Roh Sang Hwa lee Joong Wook lee Jae Hee Sung Seong Ku lee Ki-yong Kim Advanced Photonics Research Institute GISTGwangju61005Korea Department of Physics and Optoelectronics Convergence Research Center Chonnam National UniversityGwangju61186Korea Pohang Accelerator Laboratory POSTECHPohang37673Korea Center for Relativistic Laser Science Institute for Basic ScienceGwangju61005Korea Institute for Research in Electronics and Applied Physics Department of PhysicsUniversity of MarylandCollege ParkMaryland20742USA

Terahertz(THz)waves,known as non-ionizing radiation owing to their low photon energies,can actually ionize atoms and molecules when a sufficiently large number of THz photons are concentrated in time and ***,we demonstrate the generation of ionizing,multicycle,15-THz waves emitted from large-area lithium niobate crystals via phase-matched optical rectification of 150-terawatt laser pulses.A complete characterization of the generated THz waves in energy,pulse duration,and focal spot size shows that the field strength can reach up to 260 megavolts per *** particular,a single-shot THz interferometer is employed to measure the THz pulse duration and spectrum with complementary numerical *** intense THz pulses are irradiated onto various solid targets to demonstrate THz-induced tunneling ionization and plasma *** study also discusses the potential of nonperturbative THz-driven ionization in gases,which will open up new opportunities,including nonlinear and relativistic THz physics in plasma.

关键词： optical interferometer matched

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Graphene Bridge Heterostructure Devices for Negative Differential Transconductance Circuit Applications

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Nano-Micro Letters 2023年第2期15卷 161-171页

作者： Minjong lee Tae Wook Kim Chang yong Park Kimoon lee Takashi Taniguchi Kenji Watanabe Min‑gu Kim Do Kyung Hwang Young Tack lee Department of Electrical and Computer Engineering Inha UniversityIncheon 22212Republic of Korea Department of Materials Science and Engineering The University of Texas at DallasRichardsonTX 75080USA Center for Opto‑Electronic Materials and Devices Post‑Silicon Semiconductor InstituteKorea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea Department of Physics Kunsan National UniversityGunsan 54150Republic of Korea Advanced Materials Laboratory National Institute for Materials ScienceTsukuba 305‑0044Japan Department of Information and Communication Engineering Inha UniversityIncheon 22212Republic of Korea Division of Nanoscience and Technology KIST SchoolUniversity of Science and Technology(UST)Seoul 02792Republic of Korea Department of Electronic Engineering Inha UniversityIncheon 22212Republic of Korea

Two-dimensional van der Waals(2D vdW)material-based heterostructure devices have been widely studied for high-end electronic applications owing to their heterojunction *** this study,we demonstrate graphene(Gr)-bridge heterostructure devices consisting of laterally series-connected ambipolar semiconductor/Gr-bridge/n-type molybdenum disulfide as a channel material for field-effect transistors(FET).Unlike conventional FET operation,our Gr-bridge devices exhibit nonclassical transfer characteristics(humped transfer curve),thus possessing a negative differential *** phenomena are interpreted as the operating behavior in two series-connected FETs,and they result from the gate-tunable contact capacity of the Gr-bridge ***-value logic inverters and frequency tripler circuits are successfully demonstrated using ambipolar semiconductors with narrow-and wide-bandgap materials as more advanced circuit applications based on non-classical transfer ***,we believe that our innovative and straightforward device structure engineering will be a promising technique for future multi-functional circuit applications of 2D nanoelectronics.

关键词： Graphene bridge Heterostructure device Non-classical transfer characteristics Multi-value logic inverter Frequency tripler

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Modulating the synergy of Pd@Pt core-shell nanodendrites for boosting methanol electrooxidation kinetics

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Journal of Materials Science & Technology 2023年第34期165卷 153-160页

作者： Hyeon Jeong Kim Cheol Joo Moon Seokhee lee Jayaraman Theerthagiri Jong Wook Hong Myong yong Choi Young Wook lee Department of Chemistry and Research Institute of Natural Sciences Gyeongsang National UniversityJinju 52828Republic of Korea Core-Facility Center for Photochemistry&Nanomaterials Gyeongsang National UniversityJinju 52828Republic of Korea Energy&Environment Division Korea Institute of Ceramic Engineering and Technology(KICET)Jinju 52851Republic of Korea Department of Chemistry University of UlsanUlsan 44610Republic of Korea Department of Education Chemistry and Research Institute of Natural Sciences Gyeongsang National UniversityJinju 52828Republic of Korea

The single-pot production of Pd@Pt core-shell structures is a promising approach as it offers large surface area,catalytic capability,and *** this work,we established a single-pot process to produce Pd@Pt core-shell nanodendrites with tunable composition,shape and size for optimal electrochemical ***@Pt nanodendrites with diverse compositions were synthesized by tuning the ratios of Pd and Pt sources in an aqueous environment using cetyltrimethylammonium chloride,which functioned as both the surfactant and the reducing agent at an elevated temperature(90°C).The synthesized Pd5@Pt5 nanodendrites showed exceptional electrochemical action toward the methanol oxidation reaction related with another compositional Pd@Pt nanodendrites and conventional Pt/C *** addition,Pd5@Pt5 nanodendrites exhibited good CO tolerance owing to their surface features and the synergistic effect among Pt and ***,nanodendrites with a Pt-rich surface provided exceptional catalytic active *** with the conventional Pt/C electrocatalyst,the anodic peak current obtained by Pd5@Pt5 nanodendrites was 3.74 and 2.18 times higher in relations of mass and electrochemical active surface area-normalized current density,*** approach offers an attractive strategy to design electrocatalysts with unique structures and outstanding catalytic performance and stability for electrochemical energy conversion.

关键词： Core-shell nanostructure Pd@Pt electrocatalysis One-pot synthesis Formation mechanism of nanodendrites Methanol oxidation reaction

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Proteome analysis of alfalfa roots in response to water deficit stress

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Journal of Integrative Agriculture 2016年第6期15卷 1275-1285页

作者： Rahman Md Atikur Kim yong-Goo Alam Iftekhar LIU Gong-she lee Hyoshin lee Jeung Joo lee Byung-Hyun Division of Applied Life Sciences (BK21Plus) Institute of Agriculture & Life Sciences (IALS) Gyeongsang National University Jinju 660-701 Republic of Korea Institute of Botany Chinese Academy of Sciences Beijing 100093 P.R.China National Institute of Biotechnology Dhaka-1349 Bangladesh Division of Forest Biotechnology Korea Forest Research Institute Suwon 441-847 Republic of Korea Department of Applied Biology Institute of Agriculture & Life Sciences (IALS) Gyeongsang National University Jinju 660-701 Republic of Korea

To evaluate the response of alfalfa to water deficit （WD） stress, WD-induced candidates were investigated through a proteomic approach. Alfalfa seedlings were exposed to WD stress for 12 and 15 days respectively, followed by 3 days re-watering. Water deficit increased H202 content, lipid peroxidation, DPPH （1,1-diphenyl-2-picrylhydrazyl）-radical scavenging activity, and the free proline level in alfalfa roots. Root proteins were extracted and separated by two-dimentional polyacrylamide gel electrophoresis （2-DE）. A total of 49 WD-responsive proteins were identified in alfalfa roots; 25 proteins were reproducibly found to be up-regulated and 24 were down-regulated. Two proteins, namely cytosolic ascorbate peroxidase （APx2） and putative F-box protein were newly detected on 2-DE maps of WD-treated plants. We identified several proteins including agamous-like 65, albumin b-32, inward rectifying potassium channel, and auxin-independent growth promoter. The identified proteins are involved in a variety of cellular functions including calcium signaling, abacisic acid （ABA） biosynthesis, reactive oxygen species （ROS） regulation, transcription/translation, antioxidant/detoxification/stress defense, energy metabolism, signal transduction, and storage. These results indicate the potential candidates were responsible for adaptive response in alfalfa roots.

关键词： alfalfa proteome root water deficit stress

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Endoscopic management of occluded metal biliary stents:Metal versus 10F plastic stents

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World Journal of Gastroenterology 2010年第42期16卷 5347-5352页

作者： Won Jae Yoon Ji Kon Ryu Jung Won lee Dong-Won Ahn yong-Tae Kim yong Bum Yoon Sang Myung Woo Woo Jin lee Division of Gastroenterology Department of Internal MedicineSeoul National University College of Medicine101 Daehang-roJongno-guSeoul110-744South Korea Center for Liver Cancer National Cancer Center323 Ilsan-roIlsandong-guGoyang-siGyeonggi-do410-769South Korea

AIM:To compare the efficacy of self-expandable metal stents(SEMSs) with 10F plastic stents(PSs) in the endoscopic management of occluded ***:We retrospectively reviewed the medical records of 56 patients who underwent SEMS insertion for palliation of unresectable malignant biliary obstruction between 2000 and 2007 and subsequent endoscopic retrograde biliary drainage(ERBD) with SEMS or PS for initial SEMS occlusion between 2000 and ***:Subsequent ERBD with SEMS was performed in 29 patients and with PS in *** median time to stent occlusion after subsequent ERBD was 186 d in the SEMS group and 101 d in the PS group(P= 0.118).Overall median stent patency was 79 d for the SEMS group and 66 d for the PS group(P = 0.379).The mean number of additional biliary drainage procedures after subsequent ERBD in patients that died(n = 50) during the study period was 2.54 ± 4.12 for the SEMS group and 1.85 ± 1.95 for the PS group(P = 0.457).The mean total cost of additional biliary drainage procedures after the occlusion of subsequent SEMS or PS was $410.04 ± 692.60 for the SEMS group and $630.16 ± 671.63 for the PS group(P = 0.260).Tumor ingrowth as the cause of initial SEMS occlusion was the only factor associated with a shorter time to subsequent stent occlusion(101 d for patients with tumor ingrowth vs 268 d for patients without tumor ingrowth,P = 0.008).CONCLUSION:Subsequent ERBD with PSs offered similar patency and number of additional biliary drainage procedures compared to SEMSs in the management of occluded SEMS.

关键词： Stents Biliary tract neoplasms Obstructive jaundice Endoscopy Endoscopic retrograde cholangiopancreatography

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