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Scalable quantum simulation of molecular vibronic spectra with trapped ions

세미나가 이번주 목요일(3월 18일)에 개최됩니다.온라인으로 진행되는 세미나로, 많은 참여 부탁드립니다.감사합니다.=======================================================================제 목 : Scalable quantum simulation of molecular vibronic spectra with trapped ions연 사 : 김기환 교수(중국 칭화대학교)일 시 : 2021년 3월 18일(목) 오후 4시 30분<Webex참여>방번호: 170 974 2739링크: https://skku-ict.webex.com/meet/chem======================================================================== Scalable quantum simulation of molecular vibronic spectra with trapped ionsKihwan KimTsinghua UniversityQuantum simulation of quantum chemistry is considered as one of the most promising practical applications of quantum devices. The trapped-ion system is a leading platform for the construction of universal quantum computers, offering long coherence time, high-fidelity quantum operations, and reliable state preparation and measurement. Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource, beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available Hilbert space. In this seminar, we will discuss how to use trapped ions to perform scalable simulation of molecular vibronic spectra [1,2]. In particular, recently we have renovated the trapped ion system to accommodate more vibrational modes with up to five ions and demonstrated the scalable phonon network [3]. We will discuss how to use the phonon network to realize scalable simulation of vibronic spectroscopy.[1] J. Huh, et al., Boson sampling for molecular vi-bronic spectra, Nature Photon.9, 615 (2015)[2] Y. Shen, et al., Quantum optical emulation of molecular vibronic spectroscopy using a trapped-ion device, Chem.Sci.9, 836 (2018).
- 2021년 3월 18일(목) 오후 4시 30분
- Webex
- POSTED DATE : 2021-03-15
- WRITER : 화학과
- HIT : 2261
Investigating Enantioselective Catalysis Controlled by Phosphorus Ligands and N-Heterocyclic Carbenes

세미나가 다음주 목요일(3월 11일)에 개최됩니다.많은 참여 부탁드립니다.감사합니다. body{font-family :돋움; color : #000000; font-size : 10pt; margin: 7px 7px 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} ===============================================================================제 목 : Investigating Enantioselective Catalysis Controlled by Phosphorus Ligands and N-Heterocyclic Carbenes연 사 : 이안수 박사(한국과학기술연구원(KIST))일 시 : 2021년 3월 11일(목) 오후 4시 30분<Webex참여>방번호: 170 974 2739링크: https://skku-ict.webex.com/meet/chem ================================================================================Investigating Enantioselective Catalysis Controlled byPhosphorus Ligands and N-Heterocyclic CarbenesAnsoo LeeBrain Science Institute, KIST, Seoul 02792, KoreaE-mail: alee@kist.re.krChemical reaction is a crucial component of our everyday lives. The most powerful andefficient chemical reactions commonly use catalysis to control reactivity and selectivity. Thus,the discovery of new catalyst and catalysis concepts with broad utility beyond establishedreactivity will give a great impact on academic and industrial organic synthesis.In the first part, I will discuss our discovery on new phosphorus ligand design for transitionmetals. We have developed a new class of bicyclic bridgehead phosphoramidite (briphos)ligands.1 The geometrical constraints in briphos with respect to its monocyclic analogs enhanceπ-acceptor ability. The enhanced π-acceptor ability gives dramatic ligand acceleration effect inlow-valent transition metal-catalyzed reactions. Furthermore, development of chiral briphosleads to asymmetric induction in Rh(I)-catalyzed conjugate additions.2,3In the second part, I will discuss our recent finding on a new N-heterocyclic carbene (NHC)organocatalysis. We have developed a direct decarboxylative strategy for the generation of azao-quinone methides (aza-o-QMs) by NHC catalysis.4 Aza-o-QMs react with trifluoromethylketones through a formal [4+2] manifold to access highly enantioenriched dihydrobenzoxazin-4-one products, which can be converted to dihydroquinolones through an interestingstereoretentive aza-Petasis–Ferrier rearrangement sequence.References1. Lee, A.; Ahn, S.; Kang, K.; Seo, M.-S.; Kim, Y.; Kim, W. Y.; Kim, H. Org. Lett. 2014, 16,5490-5493.2. Lee, A.; Kim, H. J. Am. Chem. Soc. 2015, 137, 11250-11253.3. Lee, A.; Kim, H. J. Org. Chem. 2016, 81, 3520-3527.4. Lee, A.; Zhu, J. L.; Feoktistova, T.; Brueckner, A. C.; Cheong, P. H.-Y.; Scheidt, K. A.Angew. Chem. Int. Ed. 2019, 58, 5941-5945.
- 2021년 3월 11일(목) 오후 4시 30분
- Webex
- POSTED DATE : 2021-03-05
- WRITER : 화학과
- HIT : 2448
Surface analysis of catalysts by high-sensitivity Low Energy Ion Scattering (LEIS)

세미나가 다음주 목요일(3월 4일)에 개최됩니다.온라인으로 진행되는 세미나로, 많은 참여 부탁드립니다.감사합니다.=======================================================================제 목 : Surface analysis of catalysts by high-sensitivity Low Energy Ion Scattering (LEIS)연 사 : Diplom. Philipp Bruner(IONTOF GmbH, Münster, Germany)일 시 : 2021년 3월 4일(목) 오후 4시 30분<Webex참여>방번호: 170 974 2739링크: https://skku-ict.webex.com/meet/chem======================================================================== body{font-family :돋움; color : #000000; font-size : 10pt; margin: 7px 7px 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} body{font-family :굴림; color : #000000; font-size : 10pt; margin : 7px 0 0 7px;} p,li{line-height:1.2; word-wrap: break-word; margin-top:0; margin-bottom:0;} body{overflow:auto;}.NamoSE_layoutlock_show { word-break: break-all;} Surface analysis of catalysts byhigh-sensitivity Low Energy Ion Scattering (LEIS)Philipp Brüner1, Thomas Grehl1 1IONTOF GmbH, Münster, Germany The outermost atoms of a surface are the analytically relevant part of a catalyst. While other analytical tools (such as XPS) probe an average of many atomic layers, Low Energy Ion Scattering (LEIS) selectively analyses the outer atomic layer. It determines the elemental composition quantitatively, making it a unique tool in the understanding of catalysts.With high-sensitivity LEIS, catalysts can be analysed under static (= non-destructive) conditions. The sensitivity (< 50 ppm of a monolayer for the heavier elements) is sufficient to easily detect low loadings of the active phase. This permits the analysis of both model and real-world catalysts. From the elemental composition of the outer atomic layer, further sample properties can be deducted: Average particle size, core-shell structure of nanoparticles, distinction of adsorption sites, unexpected contamination etc.After an introduction of the technique, the focus will be on catalysts for which we gained valuable information that is difficult to obtain with other analytic techniques. This includes a single atom Pt catalyst on a CeO2 support [1], where it is possible to measure the fraction of single Pt atoms. Even for loading up to 4 wt. %, a significant fraction of the Pt is present as single atoms available for catalysis. This and other examples will illustrate the application of LEIS to relevant catalyst materials.References[1] Kunwar et al., ACS Catal. 2019, 9, 3978−3990, DOI: 10.1021/acscatal.8b04885
- 2021년 3월 4일(목) 오후 4시 30분
- Webex
- POSTED DATE : 2021-02-26
- WRITER : 화학과
- HIT : 2328
New Hypotheses Governing Complex Matter from Theory

세미나가 이번주 금요일(11월 6일)에 개최됩니다.많은 참석 부탁드립니다.감사합니다.===============================================================================제 목 : New Hypotheses Governing Complex Matter from Theory연 사 : 폴 정하연 교수(Oregon State University)일 시 : 2020년 11월 6일(금) 오후 4시 30분<Webex참여>방번호: 170 974 2739링크: https://skku-ict.webex.com/meet/chem ================================================================================Title: “New Hypotheses Governing Complex Matter from Theory”Abstract: “A significant number of the most powerful synthetic reactions and materials known today involve compounds that are complex – large in size, complicated in structure, and often exhibiting bewildering flexibility & variability. In many cases, virtually nothing is known or understood about how structure leads to function. Our group is at the forefront of expanding the reach of theory towards these systems. Together with dozens of leading research groups around the world, we elucidate mysteries, create predictability from erraticism, and ultimately bring forth hypotheses that govern complex matter. Our research program spans organic, inorganic, and materials chemistry, from homogeneous catalysis to aqueous metal clusters to solid-state oxide semiconductors. In this seminar, the latest discoveries into the mechanisms and stereoselectivities of Lewis-Base catalyzed reactions, as well as group additive types methods for predicting the stabilities of inorganic aqueous complexes will be presented.”
- 2020년 11월 6일(금) 오후 4시 30분
- Webex
- POSTED DATE : 2020-11-05
- WRITER : 화학과
- HIT : 2866
Better Biosensing Platforms with Metallic and Non-metallic Nanoparticles for Biomedical Applications

세미나가 다음주 목요일(11월 5일)에 개최됩니다.많은 참석 부탁드립니다.감사합니다.===============================================================================제 목 : Better Biosensing Platforms with Metallic and Non-metallic Nanoparticles for Biomedical Applications연 사 : 이혜진 교수(경북대학교)일 시 : 2020년 11월 5일(목) 오후 4시 30분<Webex참여>방번호: 170 974 2739Better Biosensing Platforms with Metallic and Non-metallic Nanoparticles for Biomedical ApplicationsHye Jin LeeDepartment of Chemistry, Kyungpook National University, Daegu 41566, Korea.E-mail: hyejinlee@knu.ac.krIn this talk, I will highlight our recent efforts made on the development of highly sensitive and selective biosensing platforms in conjunction with biofunctionalized nanoparticles for medical diagnosis. The efforts involve a concerted methodology integrating a wide range of metallic and non-metallic nanoparticles conjugated with bio-receptors specific to a target analyte and a new bioaffinity sandwich assay involving a pair of bio-receptors alongside surface site selective enzyme reaction. As an example, the development of different sets of antibody-DNA aptamer bio-receptor pair involved sandwich or enzyme-amplified bioassays specific for target biomarker analytes with surface plasmon resonance, fluorescence microscopy or electrochemical biosensing methods will be discussed. The biomarker analytes chosen which can be potentially used for various disease diagnoses are heterogeneous nuclear ribonucleoprotein A1, tau 381, amyloid-beta(1-42), alpha-1-antitrypsin, as well as noro and avian influenza virus proteins in addition to some of metabolites in biological fluids.1-4 Lastly, future aspects and challenging issues of our biosensing methodologies will be discussed. ================================================================================
- 2020년 11월 5일(목) 오후 4시 30분
- Webex
- POSTED DATE : 2020-10-30
- WRITER : 화학과
- HIT : 2993
Ionoelastomer Junctions Between Polymer Networks of Fixed Anions and Cations

세미나가 다음주 월요일(10월 19일)에 개최됩니다.많은 참석 부탁드립니다.감사합니다.===============================================================================제 목 : Ionoelastomer Junctions Between Polymer Networks of Fixed Anions and Cations연 사 : 김형준 박사(KAIST)일 시 : 2020년 10월 19일(목) 오후 4시 30분================================================================================<Webex 참여안내>-미팅룸 번호 : 570 196 973Ionoelastomer Junctions Between Polymer Networks of Fixed Anions and CationsHyeong Jun Kim, Zhigang Suo, Ryan C. HaywardSoft solids capable of conducting ions offer promise for the design of entirely new classes of highly deformable and bio-inspired devices. While resistive and capacitive ionic circuit elements are well established, next generation ionotronics will require advanced elements that can control and switch ion flow. Here, we introduce ‘ionoelastomers’—soft polymer networks capable of selectively conducting either anions or cations—to demonstrate liquid-free, elastic, and stretchable ionic diodes and transistors that operate entirely via non-Faradaic processes. We show that the junction of two oppositely charged ionoelastomers yields an ‘ionic double layer’, analogous to the depletion layer in a semiconducting p-n junction. This enables the design of ionic devices for rectifying and switching non-Faradaic ionic currents. Further, soft and stretchable ionoelastomer junctions provide fundamentally new functionalities including: 1) low voltage reversible electro-adhesion and 2) electro-mechanical transduction, i.e., the conversion of mechanical deformation into electrical signals. Our studies provide new fundamental insight on the interface between two oppositely charged ionoelastomers and open opportunities for the application of these soft ion-conducting devices.
- 2020년 10월 19일(월) 오후 4시 30분
- Webex
- POSTED DATE : 2020-10-15
- WRITER : 화학과
- HIT : 3110
High-affinity and controllable host-guest chemistry as a new supramolecular tool for biology and biomedicine

세미나가 이번주 목요일(10월 15일)에 개최됩니다.많은 참석 부탁드립니다.감사합니다.===============================================================================제 목 : High-affinity and controllable host-guest chemistry as a new supramolecular tool for biology and biomedicine연 사 : 박경민 박사(IBS)일 시 : 2020년 10월 15일(목) 오후 4시 30분================================================================================<Webex 참여안내>-미팅룸 번호 : 571 508 642High-affinity and controllable host-guest chemistry as a new supramolecular tool for biology and biomedicineKyeng Min ParkCenter for Self-assembly and Complexity (CSC), Institute for Basic Science (IBS),Pohang 37673, Republic of KoreaDue to a high binding affinity (Ka ~ 1013 M-1), the streptavidin (Sv) and biotin (BT) as a protein-ligand binding pair has been utilized as a useful tool for various bioapplications including protein imaging and identification. However, the Sv-BT pair has some intrinsic shortcomings; 1) interference of binding from endogenous biotins, 2) false positive signals caused by endogenously biotinylated proteins 3) difficulty in chemical modification and instability of streptavidin (protein) degraded by proteases in cellular conditions. Recently, we developed a new ultrastable and controllable synthetic binding pair as “supramolecular latching system” consisting of a pumpkin-shaped synthetic host molecule, cucurbit[7]uril (CB[7]) and adamantylamine (AdA), which has almost comparable (or even higher) binding affinity (Ka ~1012-15 M-1) to Sv-BT with unique features including 1) bio-orthogonality in binding which does not affected by endogenous biomolecules such as biotin, 2) small size with stable and robust chemical structure, 3) scalability using known chemical synthetic methods and 4) controllable binding affinity by treating strong competitors. In this talk, I will introduce our recent efforts to develop this supramolecular latching system as a new molecular tool for various bioapplications (Fig. 1) including visualization and identification of spatial proteins in cells and cost-effective purification of therapeutic proteins in high purity. In addition, future direction of research and development of this new molecular tool will be discussed. Figure 1. Schematic illustration of “supramolecular latching system” and its bioapplicationsReferences1. An, J.; Kim, S.; Shrinidhi, A.; Kim, J.; Banna, H.; Sung, G.; Park, K. M.* M.*; Kim, K* “Purification of proteintherapeutics via high aff inity supramolecular host guest interactions” Nat. Biomed. Eng. 2020 , in press.(DOI:10.1038/s41551 020 0589 7).2. Ghosh; S. K.; Dhamija, A.; Ko, Y. H.; An, J.; Hur, M. Y.; Boraste, D. R.; Seo, J.; Lee, E.*; Park, K. M.*Kim, K.* Superacid mediated functio nalization of hydroxylated cucurbit[ n ]urils J. Am. Chem. Soc. 2019 ,141, 17503.3. Kim, K. L.; Sung, G..; Sim, J.; Murray, J.; Li, M.; Lee, A.; Shrinidhi, A.; Park, K. M. M.*; Kim, K.*“Supramolecular latching system based on ultrastable synthetic binding pair s as versatile tools for proteinimaging” Nat. Commun. 2018 , 9, 1712.4. Li, M.; Lee, A.; Kim, K. L.; Murray, J.; Shrnidhi, A.; Sung, G.; Park, K. M. M.*; Kim, K.* “Autophagy caughtin the act: a supramolecular FRET Pair based on an ultrastable synthetic Host g uest complex visualizesautophagosome lysosome fusion.” Angew. Chem. Int. Ed. 2018, 57 ,5. Park, K. M. M.*; Baek, K.; Ko, Y. H.; Shrinidhi, A.; Murray; Jang, W. H.; Kim, K. H.; Lee, S., Yoo, J.; Kim,S.; Kim, K.* “Mono allyloxylated cucurbit[7]uril acts as an unconventional amphiphile to formlight responsive vesicles” Angew. Chem. Int. Ed. 2018 , 57, 3132
- 2020년 10월 15일(목) 오후 4시 30분
- Webex
- POSTED DATE : 2020-10-14
- WRITER : 화학과
- HIT : 3093
Multifunctional Inorganic Nanoparticles for Modulation of Hypoxic Microenvironments

세미나가 이번주 화요일(10월 13일)에 개최됩니다.온라인으로 진행되는 세미나로, 많은 참여 부탁드립니다.감사합니다.===============================================================================제 목 : Multifunctional Inorganic Nanoparticles for Modulation of Hypoxic Microenvironments 연 사 : 이노현 교수(국민대학교)일 시 : 2020년 10월 13일(화) 오후 4시 30분<WebEx참여>방번호: 170 400 9240링크: https://skku-ict.webex.com/meet/sson ========================================================================Multifunctional Inorganic Nanoparticles for Modulation of Hypoxic Microenvironments 이노현국민대학교 신소재공학부(nohyunlee@kookmin.ac.kr*) Due to their unique physicochemical properties, inorganic nanoparticles (NPs) have emerged as novel imaging, diagnostic, and therapeutic agents for the future biomedical field. In particular, hypoxic inflammatory microenvironments, which is often found at disease sites in the body, can be easily controlled using NPs with various combinations. Catalytic NPs continuously generate oxygen using intracellular hydrogen peroxide in the hypoxic microenvironment. They can also control the phenotype of macrophages in the inflammatory microenvironment, alleviating the inflammation. Moreover, immune cell can be targeted using the NPs functionalized with targeting moieties, enabling the delivery of the functional NPs to inflammatory microenvironments. I would like to describe the applications of multifunctional inorganic NPs for modulation of hypoxic and inflammatory microenvironments.Firstly, biocompatible manganese ferrite NP-anchored mesoporous silica NPs (MFMSNs) were designed to overcome hypoxia, consequently enhancing the therapeutic efficiency of photodynamic therapy (PDT). By exploiting the continuous oxygen-evolving property of manganese ferrite NPs through the Fenton reaction, MFMSNs relieved hypoxic condition using a small amount of NPs and improved therapeutic outcomes of PDT for tumors in vivo. Secondly, manganese ferrite and ceria NP-anchored mesoporous silica NPs (MFC-MSNs) that can synergistically scavenge reactive oxygen species (ROS) and produce oxygen for M1 macrophage reduction and M2 macrophage induction for rheumatoid arthritis (RA) treatment. MFC-MSNs exhibited a synergistic effect on O2 generation attributed to hydroxyl complementary reaction of ceria NPs scavenging the intermediate hydroxyl radical generated by manganese ferrite NPs during the Fenton reaction, leading to efficient polarization of M1 to M2 macrophages. Intra-articular administration of MFC-MSNs to RA-suffering rats alleviated hypoxia, inflammation, and pathological features in the joint.Lastly, we developed a click reaction-assisted immune cell targeting (CRAIT) strategy to delivery drug-loaded nanoparticles deep into the avascular regions of the tumor. Immune cell-targeting CD11b antibodies were modified with trans-cyclooctene to enable bioorthogonal click chemistry with mesoporous silica nanoparticles functionalized with tetrazines (MSNs-Tz). Sequential injection of modified antibodies and MSNs-Tz at intervals of 24 h resulted in targeted conjugation of the nanoparticles onto CD11b+ myeloid cells, which served as active vectors into tumor interiors. The CRAIT strategy allows the deep tumor penetration of drug-loaded nanoparticles, resulting in enhanced therapeutic efficacy in an orthotopic 4T1 breast tumor model.
- 2020년 10월 13일(화) 오후 4시 30분
- Webex
- POSTED DATE : 2020-10-12
- WRITER : 화학과
- HIT : 2894
Molecular designing in carbon-based nanomaterials and their catalytic and optical applications

세미나가 이번주 화요일(10월 6일)에 개최됩니다.온라인으로 진행되는 세미나로, 많은 참여 부탁드립니다.감사합니다.=======================================================================제 목 : Molecular designing in carbon-based nanomaterials and their catalytic and optical applications연 사 : 박성진 교수(인하대학교)일 시 : 2020년 10월 6일(화) 오후 4시 30분<Webex참여>방번호: 573 338 453링크: https://skku-ict.webex.com/meet/songcs======================================================================== Molecular designing in carbon-based nanomaterials and their catalytic and optical applications Sungjin Park* 1Department of Chemistry and Chemical Engineering, Inha University, Incheon 22212, Korea(*sungjinpark@inha.ac.kr) The generation of molecularly dispersed active species on the surface of carbon-based network enables to utilize advantages of molecular catalysts as well as to extremely expose active species without aggregation at the surface. In the first part of this presentation, I will discuss my recent research activities on this concept. Novel hybrids were generated by the reaction of Co-containing organometallic molecules and carbon-based materials. Three dimensional (3D) carbon nitrides (C3N4), which are also referred to as graphitic or polymeric C3N4, have attracted intense research interest because of their visible-light active, fluorescent, biocompatible, and catalytically active properties. In the second part of this presentation, the use of carbon nitride-based materials as photocatalysts and light-emitting materials will be discussed.
- 2020년 10월 6일(화)
- WebEx
- POSTED DATE : 2020-10-05
- WRITER : 화학과
- HIT : 2722
<K-BioX 글로벌 프로젝트> Secret guide to the forefront of Healthcare AI

<K-BioX 글로벌 프로젝트>1. K-BioX (Non-Profit Organization) 와 한국 11개 대학이 공동 주최 하는 Global K-BioX 세미나 이 첫 번째 강연을 소개합니다^^2. 9월 15일 화요일 오전 10시 세미나 (웨비나)3. 발표자 : 도신호 교수 (Harvard Medical School) http://www.kbiox.org/ ( 연사 소개 동영상) in K-BioX 홈페이지4. 발표 주제 : Secret guide to the forefront of Healthcare AI 5. 패널연사 : 김병학 박사 (실리콘밸리 AI 스타트업), 김용수 교수 (네델란드 암센터) 6. Host: 성대 성균융합원 (주경민 부원장) : < 성균융합원 소개 : 주경민 부원장 >7. 사회자: 정명진 교수(삼성서울병원, AI연구센터 센터장> 8. 행사 주관 : K-BioX (Non-Profit Organization)
- 2020년 9월 15일(화) 오전 10시
- POSTED DATE : 2020-09-02
- WRITER : 화학과
- HIT : 2815