Article
Multidisciplinary Sciences
Alessandro Colombo, Simon Dold, Patrice Kolb, Nils Bernhardt, Patrick Behrens, Jonathan Correa, Stefan Duesterer, Benjamin Erk, Linos Hecht, Andrea Heilrath, Robert Irsig, Norman Iwe, Jakob Jordan, Bjoern Kruse, Bruno Langbehn, Bastian Manschwetus, Franklin Martinez, Karl-Heinz Meiwes-Broer, Kevin Oldenburg, Christopher Passow, Christian Peltz, Mario Sauppe, Fabian Seel, Rico Mayro P. Tanyag, Rolf Treusch, Anatoli Ulmer, Saida Walz, Thomas Fennel, Ingo Barke, Thomas Moeller, Bernd von Issendorf, Daniela Rupp
Summary: The structure and dynamics of isolated nanosamples in free flight can be directly visualized using x-ray free-electron lasers. Wide-angle scattering images encode 3D morphological information, but retrieval remains challenging. A generic imaging approach is presented, reconstructing diffraction patterns from individual silver nanoparticles with a model that allows for any sample morphology. The results open new routes towards true 3D structure determination and 3D movies of ultrafast nanoscale dynamics.
Article
Materials Science, Multidisciplinary
E. Paris, C. W. Nicholson, S. Johnston, Y. Tseng, M. Rumo, G. Coslovich, S. Zohar, M. F. Lin, V. N. Strocov, R. Saint-Martin, A. Revcolevschi, A. Kemper, W. Schlotter, G. L. Dakovski, C. Monney, T. Schmitt
Summary: Investigations into magnetically ordered phases on the femtosecond timescale have provided significant insights into the influence of charge and lattice degrees of freedom on the magnetic sub-system. However, short-range magnetic correlations, such as those in spin-frustrated systems, are often inaccessible to many ultrafast techniques. Here, we demonstrate how time-resolved resonant inelastic X-ray scattering (trRIXS) can probe short-ranged magnetic dynamics in a charge-transfer insulator by detecting a Zhang-Rice singlet exciton.
NPJ QUANTUM MATERIALS
(2021)
Review
Chemistry, Inorganic & Nuclear
Chi-Yen Tung, Yu-Ting Tseng, Tsai-Te Lu, Wen-Feng Liaw
Summary: Over the past two decades, extensive research has been conducted in the field of bioinorganic study of synthetic dinitrosyliron complexes (DNICs), encompassing synthetic methodology, spectroscopic discrimination, biological application of NO-delivery reactivity, and transformation of small molecules.
INORGANIC CHEMISTRY
(2021)
Article
Geochemistry & Geophysics
Vasilije V. Dobrosavljevic, Dongzhou Zhang, Wolfgang Sturhahn, Jiyong Zhao, Thomas S. Toellner, Stella Chariton, Vitali B. Prakapenka, Olivia S. Pardo, Jennifer M. Jackson
Summary: This study develops a multi-technique approach to measure the high-pressure melting and solid phase relations of iron alloys and investigates the effect of silicon on melting temperatures and phase diagram. The results show that the addition of 10 mol% silicon reduces melting temperatures and flattens the phase boundary at low pressures.
EARTH AND PLANETARY SCIENCE LETTERS
(2022)
Article
Multidisciplinary Sciences
Viktoriia Savchenko, Iulia Emilia Brumboiu, Victor Kimberg, Michael Odelius, Pavel Krasnov, Ji-Cai Liu, Jan-Erik Rubensson, Olle Bjorneholm, Conny Sathe, Johan Grasjo, Minjie Dong, Annette Pietzsch, Alexander Foehlisch, Thorsten Schmitt, Daniel McNally, Xingye Lu, Sergey P. Polyutov, Patrick Norman, Marcella Iannuzzi, Faris Gel'mukhanov, Victor Ekholm
Summary: Quenching of vibrational excitations in liquid acetic acid's RIXS spectra was observed, attributed to strong rehybridization of unoccupied molecular orbitals due to hydrogen bonding. This phenomenon allows for the investigation of the liquid's molecular structure and determination of a lower limit for the average molecular chain length.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Vishnu Radhakrishna, Ryan J. J. Tancin, Christopher S. S. Goldenstein
Summary: This article describes the temporal evolution of rotationally and vibrationally non-Boltzmann CN X-2 Sigma(+) formed behind reflected shock waves in N-2-CH4 mixtures at conditions relevant to atmospheric entry into Titan. A novel ultrafast laser absorption spectroscopy diagnostic was developed to provide broadband and spectrally resolved measurements of CN absorbance spectra and its first four Delta v = 0 vibrational bands. The measurements showed non-Boltzmann population distributions of CN and increasing vibrational temperatures with increasing CN mole fraction.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Heemin Lee, Je Young Ahn, Sae Hwan Chun, Do Hyung Cho, Daeho Sung, Chulho Jung, Jaeyong Shin, Junha Hwang, Sung Soo Ha, Hoyoung Jang, Byeong-Gwan Cho, Sunam Kim, Jaeku Park, Daewoong Nam, Intae Eom, Ji Hoon Shim, Do Young Noh, Yungok Ihm, Changyong Song
Summary: Photoinduced nonequilibrium phase transitions have sparked interest in the dynamic interactions between electrons and crystalline ions. Through experiments and simulations, this study reveals the impact of photoexcitation and bonding orbitals on lattice stability.
Article
Construction & Building Technology
David W. Gardner, Jiaqi Li, Martin Kunz, Chenhui Zhu, Paulo J. M. Monteiro, Roya Maboudian, Carlo Carraro
Summary: The plastic deformation of C-(A-)S-H is relevant for Portland cement creep, with the strain in Si-O bonds not increasing when the material's silicate chains are cross-linked, and the silicate chains potentially being broken up when they are not cross-linked.
CEMENT AND CONCRETE RESEARCH
(2021)
Article
Chemistry, Physical
Viktoriia A. Saveleva, Kavita Kumar, Pascal Theis, Nicole Segura Salas, Ulrike I. Kramm, Frederic Jaouen, Frederic Maillard, Pieter Glatzel
Summary: This study investigates the structural composition of Fe-N-C materials for the oxygen reduction reaction in proton-exchange membrane fuel cells, before and after catalyst layer preparation, using X-ray absorption and emission spectroscopies. The results reveal the significant impact of the preparation step on the electronic structure and local coordination of Fe, emphasizing the importance of determining the Fe-N-C catalyst structure in the prepared electrode for further studies of the structure-activity-stability correlations.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Li-lin Jiang, Yun-fei Song, Wei-long Liu, Hong-lin Wu, Xi-you Li, Yan-qiang Yang
Summary: Ultrafast vibrational dynamics in pure liquid tetrahydrofuran were studied using femtosecond coherent anti Stokes Raman scattering. Different vibrational modes were observed with oscillatory decay in time-resolved spectra, providing insights into chemical reaction mechanisms in condensed-phase systems.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Optics
Songky Moon, Younghoon Shin, Soyun Kim, Kyu-Won Park, Kyungwon An
Summary: In this study, a spectroscopic technique has been developed to simultaneously determine the boundary shape and refractive index of a deformed liquid microjet, overcoming technical challenges caused by transparency and uncertainty in refractive index.
Article
Chemistry, Multidisciplinary
Viktoriia A. Saveleva, Kathrin Ebner, Lingmei Ni, Grigory Smolentsev, Daniel Klose, Andrea Zitolo, Elena Marelli, Jingkun Li, Marisa Medarde, Olga V. Safonova, Maarten Nachtegaal, Frederic Jaouen, Ulrike I. Kramm, Thomas J. Schmidt, Juan Herranz
Summary: This study investigates the electronic structure of molecular sites in two Fe/N/C catalysts by probing their average spin state using X-ray emission spectroscopy (XES), revealing for the first time the existence of reversible, potential-induced spin state changes in these materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Multidisciplinary Sciences
Jie Yang, Riccardo Dettori, J. Pedro F. Nunes, Nanna H. List, Elisa Biasin, Martin Centurion, Zhijiang Chen, Amy A. Cordones, Daniel P. Deponte, Tony F. Heinz, Michael E. Kozina, Kathryn Ledbetter, Ming-Fu Lin, Aaron M. Lindenberg, Mianzhen Mo, Anders Nilsson, Xiaozhe Shen, Thomas J. A. Wolf, Davide Donadio, Kelly J. Gaffney, Todd J. Martinez, Xijie Wang
Summary: Water, as one of the most important yet least understood liquids in nature, exhibits anomalous properties due to its well-connected hydrogen bond network. Ultrafast electron scattering technology reveals the rapid structural response and hydrogen bond contraction process of water molecules.
Review
Chemistry, Multidisciplinary
Eun Hyuk Choi, Yunbeom Lee, Jun Heo, Hyotcherl Ihee
Summary: This article introduces the classification of chemcial and biological molecular systems studied via femtosecond time-resolved X-ray liquidography (fs-TRXL) at XFELs, and provides a brief review on each category. Additionally, a plausible roadmap for future fs-TRXL studies in unexplored areas is presented.
Article
Optics
L. Kjellsson, V Ekholm, M. Agaker, C. Sathe, A. Pietzsch, H. O. Karlsson, N. Jaouen, A. Nicolau, M. Guarise, C. Hague, J. Luening, S. G. Chiuzbaian, J-E Rubensson
Summary: Resonant inelastic x-ray scattering spectra excited at the pi*-resonance of the nitrogen molecule are presented, showing well-resolved vibrational excitations in the electronic ground state and certain excited states. Analysis within the Kramers-Heisenberg formalism emphasizes the importance of lifetime-vibrational interference effects. The study also reveals strongly dissociative multiply excited final states in radiative electron rearrangement.
Article
Oncology
James A. Davis, Kelly J. Gaffney, Mary McGann, Deidra Smith, Kathy Edwards, Ellen Baldino, Keegan Bakos, Coleen Butcher, Brian Greenwell, Brian T. Hess, Hamza Hashmi
Summary: Fever is a common adverse effect of CAR T-cell therapy, but its impact on safety and efficacy post therapy is unclear. This study aimed to investigate the impact of fever and its characteristics on safety and efficacy in CAR T-cell therapy. A total of 40 patients were included. Early-onset and higher magnitude fever did not appear to affect safety or efficacy of CAR T, but the absence of fever may reduce efficacy.
CLINICAL LYMPHOMA MYELOMA & LEUKEMIA
(2023)
Letter
Hematology
Kelly J. Gaffney, Mary McGann, James A. Davis, Kathy H. Edwards, Hamza Hashmi
ANNALS OF HEMATOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Huifang Geng, Zhuanzhuan Huang, Huaxiu Geng, Siyu Liu, Maria A. Naumova, Raffaele Salvia, Siqi Chen, Junli Wei, Lifu Zhang, Xianshao Zou, Weihua Lin, Xinyi Cai, Mingjian Yuan, Zhenpeng Hu, Xi Shen, Richeng Yu, Kaibo Zheng, Sophie E. Canton, Xuewen Fu
Summary: Recently, cesium bismuth halide perovskites have been considered as potential substitutes for cesium lead halide perovskites due to their low toxicity. However, the photophysics of cesium-bismuth halides nanocrystals (NCs) has not been fully understood due to the debated structures. This study successfully synthesized pure Cs3BiBr6 and Cs3Bi2Br9 NCs with controlled structures. The photophysical properties of the Cs3Bi2Br9 NCs were investigated, and their potential for optoelectronic applications was demonstrated.
SCIENCE CHINA-MATERIALS
(2023)
Article
Energy & Fuels
Mingli Liang, Weihua Lin, Qian Zhao, Jun Li, Lin Zhu, Brice Sarpi, Alexei Zakharov, Ivan G. Scheblykin, Tonu Pullerits, Yuran Niu, Sophie E. Canton, Kaibo Zheng
Summary: This study presents the first investigation of spatially resolved electronic structures in 2D LHP single-crystal flakes, with a focus on the contribution from the edge area. The results show a blueshift in the Pb 5d core-level peaks at the edge area compared to the interior area, which is attributed to surface restructuring induced by the release of mechanical strain.
Article
Chemistry, Inorganic & Nuclear
Benjamin I. Poulter, Elisa Biasin, Stanislaw H. Nowak, Thomas Kroll, Roberto Alonso-Mori, Robert W. Schoenlein, Niranjan Govind, Dimosthenis Sokaras, Munira Khalil
Summary: Using L-3-edge 2p3d resonant inelastic X-ray scattering (RIXS), we investigated the electronic structure and dynamics of different solution phase Ru complexes, providing insights into the 4d and 3d orbitals and their interactions. This technique allows for direct measurement of 3d spin orbit coupling and splitting of orbitals. The study examined three model Ru complexes and demonstrated the higher spectral information provided by 2p3d RIXS compared to L-3 X-ray absorption near edge structure (XANES). The direct measurement of spin-orbit splitting was carried out for the studied complexes.
INORGANIC CHEMISTRY
(2023)
Correction
Chemistry, Inorganic & Nuclear
Kristjan Kunnus, Meiyuan Guo, Elisa Biasin, Christopher B. Larsen, Charles J. Titus, Sang Jun Lee, Yizhu Liu, Kenneth Warnmark, Dennis Nordlund, Amy A. Cordones, Jens Uhlig, Kelly J. Gaffney
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Mariann Papp, Tamas Keszthelyi, Andor Vancza, Eva G. Bajnoczi, Eva Kovats, Zoltan Nemeth, Csilla Bogdan, Gabor Bazso, Tamas Rozgonyi, Gyorgy Vanko
Summary: In this paper, the effects of ligand substitutions on the electronic structure and properties of transition-metal complexes are investigated theoretically and experimentally. It is found that substitution with a Cl atom at different positions of the terpyridine ligand can effectively modify the electronic structure of the complexes and significantly impact the excited state lifetime. These findings contribute to the development of molecular engineering for similar complexes.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Roseanne J. Sension, Taylor P. McClain, Ryan M. Lamb, Roberto Alonso-Mori, Frederico Alves Lima, Fernando Ardana-Lamas, Mykola Biednov, Matthieu Chollet, Taewon Chung, Aniruddha Deb, Paul A. Dewan Jr, Leland B. Gee, Joel Huang Ze En, Yifeng Jiang, Dmitry Khakhulin, Jianhao Li, Lindsay B. Michocki, Nicholas A. Miller, Florian Otte, Yohei Uemura, Tim B. van Driel, James E. Penner-Hahn
Summary: Femtosecond time-resolved X-ray absorption, X-ray emission, and broadband UV-vis transient absorption were used to investigate the atomic and electronic dynamics of two vitamin B-12 compounds after photoexcitation. Sequential structural evolution and coherent bond elongation were observed, followed by recoil to a relaxed excited state structure. The formation of a metal-centered excited state with a lifetime of 2-5 ps was suggested by time-resolved X-ray emission and optical transient absorption.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S. Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D. Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J. Kaminsky, Miao Zhang, Julia Gaetcke, Stephanie Haupt, Isabela I. Nangca, Stephen M. Keable, A. Orkun Aydin, Kensuke Tono, Shigeki Owada, Leland B. Gee, Franklin D. Fuller, Alexander Batyuk, Roberto Alonso-Mori, James M. Holton, Daniel W. Paley, Nigel W. Moriarty, Fikret Mamedov, Paul D. Adams, Aaron S. Brewster, Holger Dobbek, Nicholas K. Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan Kern, Junko Yano, Vittal K. Yachandra
Summary: In natural photosynthesis, the light-driven splitting of water is the first step in converting solar energy into chemical energy. The reaction occurs in photosystem II, where the Mn4CaO5 cluster plays a crucial role in storing oxidizing equivalents and catalyzing the O-O bond formation. By using X-ray crystallography, we observed the structural changes during the S-3 ->[S-4]-> S-0 transition, which is the final step of the Kok's photosynthetic water oxidation cycle. Our findings provide insights into the complex events that occur during this process, including changes in the Mn4CaO5 cluster, ligands, water pathways, and proton release mechanism.
Article
Chemistry, Multidisciplinary
Sophie E. E. Canton, Mykola Biednov, Matyas Papai, Frederico A. A. Lima, Tae-Kyu Choi, Florian Otte, Yifeng Jiang, Paul Frankenberger, Martin Knoll, Peter Zalden, Wojciech Gawelda, Ahibur Rahaman, Klaus B. B. Moller, Christopher Milne, David J. J. Gosztola, Kaibo Zheng, Marius Retegan, Dmitry Khakhulin
Summary: Ultrafast optical absorption spectroscopy and X-ray emission spectroscopy were used to track the photoinduced spin-state switching of the prototypical complex [Co(terpy)(2)](2+) in solution phase. The study reveals that the complex undergoes ultrafast Jahn-Teller photoswitching between two different spin multiplicities on the femtosecond timescale.
Review
Oncology
Katelynn Granger, Kelly J. Gaffney, James A. Davis
Summary: This article summarizes the background, clinical trials, and place in therapy for newly FDA-approved and forthcoming bispecific antibodies for relapsed/refractory (R/R) multiple myeloma. Teclistamab, a T-cell-redirecting bispecific antibody, has recently been approved as a treatment option for R/R multiple myeloma patients who have failed four prior lines of therapy. The results of the MajesTEC-1 study showed a durable response in heavily pretreated patients, leading to accelerated approval of teclistamab. Further studies are ongoing to investigate teclistamab and other novel bispecific antibodies for multiple myeloma.
JOURNAL OF ONCOLOGY PHARMACY PRACTICE
(2023)
Article
Chemistry, Multidisciplinary
Leland B. Gee, Jinkyu Lim, Thomas Kroll, Dimosthenis Sokaras, Roberto Alonso-Mori, Chien-Ming Lee
Summary: We utilized hard X-ray spectroscopic methods to identify the structural features and reaction mechanisms of two photolabile {FeNO}(6) complexes, providing a foundation for future research.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Nils W. Rosemann, Linnea Lindh, Iria Bolano Losada, Simon Kaufhold, Om Prakash, Aleksandra Ilic, Jesper Schwarz, Kenneth Waernmark, Pavel Chabera, Arkady Yartsev, Petter Persson
Summary: Steady state and ultrafast spectroscopy were used to study [Fe-III(phtmeimb)(2)]PF6 over a broad range of temperatures. The intramolecular deactivation dynamics of the luminescent doublet ligand-to-metal charge-transfer ((LMCT)-L-2) state were analyzed, revealing the direct deactivation of the (LMCT)-L-2 state as a key limitation to its lifetime. Photoinduced disproportionation and subsequent bimolecular recombination of Fe(iv) and Fe(ii) complex pairs were observed in selected solvent environments. The efficient photoinduced intermolecular charge separation over a wide temperature range highlights the potential of [Fe-III(phtmeimb)(2)]PF6 for photocatalytic bimolecular reactions.
Article
Chemistry, Inorganic & Nuclear
Mariann Papp, Tamas Keszthelyi, Andor Vancza, Eva G. Bajnoczi, Eva Kovats, Zoltan Nemeth, Csilla Bogdan, Gabor Bazso, Tamas Rozgonyi, Gyorgy Vanko
Summary: The properties and dynamics of transition-metal complexes can be effectively modified with ligand substitutions, and theory plays a crucial role in molecular engineering. This study explores the electronic structure and ground state properties of Fe(II) complexes with terpyridine ligand substitutions. The results show that substitution at positions 5 and 5'' with Cl has a significant effect on the energy and lifetime of the quintet state.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Matyas Papai, Tamas Rozgonyi, Gyoergy Vanko
Summary: The application of N-heterocyclic carbene (NHC) ligands in light-harvesting complexes has made significant progress, but there are still controversies regarding the excited-state dynamics of Fe-NHC photosensitizers. Using simulations, this study clarifies the deactivation mechanism of [Fe(bmip)2](2+) and finds that the photosensitizing efficiency is weakened by the ultrafast quenching of the triplet metal-to-ligand charge transfer by metal-centered states. Experimental data also suggest the presence of early sub-picosecond metal-centered states.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
