Results 111 to 120 of about 40,331 (294)

Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

Structural Dynamics, 2018
We present a detailed analysis of the X-ray absorption near-edge structure (XANES) data on the Fe K-edge of CO Myoglobin based on a combined procedure of Molecular Dynamics (MD) calculations and MXAN (Minuit XANes) data analysis that we call D-MXAN.
Giovanni Chillemi, Massimiliano Anselmi, Nico Sanna, Cristiano Padrin, Lodovico Balducci, Marco Cammarata, Elisabetta Pace, Majed Chergui, Maurizio Benfatto   +8 more
doaj   +1 more source

Temperature Dependent Polarized XANES Spectra for Zn-doped LSCO system

, 2002
The cuprates seem to exhibit statistics, dimensionality and phase transitions in novel ways. The nature of excitations [i.e. quasiparticle or collective], spin-charge separation, stripes [static and dynamics], inhomogeneities, psuedogap, effect of ...
A.T.M.N Islam, H Kawanaka, H Oyanagi, I Tanaka, M.O Rahman, Oyanagi, P Badica, Pan, S Alam, T Yanagisawa, Tanaka, Watauchi   +11 more
core   +1 more source

Bifunctional Artificial Enzymes‐Loaded Microgels With LOX‐ and CAT‐Like Activities for Metabolic Reprogramming and Scarless Wound Repair

Advanced Science, EarlyView.
A bifunctional lactate oxidase‐like and catalase‐like artificial enzyme (Metazyme) is integrated into a rod‐shaped microgel (MetaRgel) to enable cascade lactate oxidation and oxygen regeneration. By reprogramming the wound metabolic microenvironment, MetaRgel alleviates excessive lactate accumulation, oxidative stress, hypoxia, and inflammation ...
Yongyuan Kang, Pai Peng, Liang Song, Qiaoxuan Wang, Zilong Zhong, Dongchao Qiu, Yunfan Liu, Kefei Zhao, Xiaofei Dong, Changyou Gao   +9 more
wiley   +1 more source

Noise-robust analysis of X-Ray absorption near-edge structure based on poisson distribution

Science and Technology of Advanced Materials: Methods
We demonstrate that the noise tolerance of X-ray absorption near-edge structure (XANES) analysis can be improved by reconsidering the noise model. XANES measurement is a powerful technique to investigate the structure and electronic state of materials ...
Shuhei Kashiwamura, Shun Katakami, Taiga Yamasaki, Kazunori Iwamitsu, Hiroyuki Kumazoe, Kenji Nagata, Toshihiro Okajima, Ichiro Akai, Masato Okada   +8 more
doaj   +1 more source

Atomic Tuning of Metal‐Support Interactions for Pathway‐Selective CO2 Photoreduction on TiO2

Advanced Science, EarlyView.
Single‐atom Fe and Cu catalysts anchored on TiO2 steer photocatalytic CO2 reduction toward distinct pathways. Fe sites favor rapid *CO desorption and selective CO formation, whereas Cu sites stabilize *CHO intermediates, enabling deep reduction and C─C coupling. Combined spectroscopy and DFT calculations reveal how metal–support interactions and oxygen
Dongyun Kim, Wonjae Ko, Byoung‐Hoon Lee, Sanghoon Kim, Yun Do Kim, Hyunsoo Ahn, Yoon Jung, Chan Woo Lee, Kug‐Seung Lee, Eunhee Gong, Junho Lee, Minho Kim, Taeghwan Hyeon, Su‐Il In   +13 more
wiley   +1 more source

Unravelling the Correlation of Electronic Structure and Carrier Dynamics in CuInS\u3csub\u3e2\u3c/sub\u3e Nanoparticles [PDF]

, 2017
In this work, we report the direct correlation of photoinduced carrier dynamics and electronic structure of CuInS2 (CIS) nanoparticles (NPs) using the combination of multiple spectroscopic techniques including steady-state X-ray absorption spectroscopy ...
Hu, Wenhui, Huang, Jier, Liu, Cunming, Ludwig, John, Pattengale, Brian, Yang, Sizhuo, Zhang, Xiaoyi, Zuo, Xiaobing   +7 more
core   +1 more source

Angular dependence of core hole screening in LiCoO2: A DFT+U calculation of the oxygen and cobalt K-edge x-ray absorption spectra

, 2009
Angular dependent core-hole screening effects have been found in the cobalt K-edge x-ray absorption spectrum of LiCoO2, using high-resolution data and parameter-free GGA+U calculations.
Amélie Juhin, Christian Brouder, F. M. F. de Groot, Frank de Groot, György Vankó, Matteo Calandra   +5 more
core   +3 more sources

Design of Single‐Atom Nanozymes for Precision Treatment of Erectile Dysfunction with Integrated Single‐Cell RNA Sequencing and Machine Learning

Advanced Science, EarlyView.
It is innovatively utilized single‐cell RNA sequencing to explore the underlying causes of diabetes mellitus‐induced erectile dysfunction, followed by machine learning‐driven design of a single‐atom nanozyme (Fe‐DMOF) for precision treatment of erectile dysfunction.
Xiang Zhou, Xi Zhang, Sihan Chen, Mengchi Yu, Yilan Hu, Chi Gan, Xianghu Meng, Long Li, Ninghong Song   +8 more
wiley   +1 more source

Demonstration of an AI-driven workflow for dynamic x-ray spectroscopy

npj Computational Materials
X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be time-consuming ...
Ming Du, Mark Wolfman, Chengjun Sun, Shelly D. Kelly, Mathew J. Cherukara   +4 more
doaj   +1 more source

Evolution of superconductivity in K2-xFe4+ySe5: Spectroscopic studies of X-ray absorption and emission. [PDF]

, 2019
This study investigates the evolution of superconductivity in K2-xFe4+ySe5 using temperature-dependent X-ray absorption and resonant inelastic X-ray scattering techniques.
Chen, CL, Chiou, JW, Chuang, YD, Ghosh, Anirudha, Guo, JH, Hsieh, SH, Lee, JF, Liu, YS, Pao, CW, Pong, WF, Shao, YC, Wang, CH, Wang, HT, Wu, MK   +13 more
core