Results 31 to 40 of about 228,318 (296)

Homologous expression and purification of human HAX‐1 for structural studies

FEBS Open Bio, EarlyView.
This research protocol provides detailed instructions for cloning, expressing, and purifying large quantities of the intrinsically disordered human HAX‐1 protein, N‐terminally fused to a cleavable superfolder GFP, from mammalian cells. HAX‐1 is predicted to undergo posttranslational modifications and to interact with membranes, various cellular ...
Mariana Grieben
wiley   +1 more source

Orbital Ordering and Resonant X-ray Scattering in Layered Manganites

, 1999
In layered manganites with orbital and charge orderings, the degeneracy of the Mn $4p$ orbitals as well as the $3d$ ones is lifted by the effects of the $4p$ bands and the local Coulomb interactions.
Ishihara, Sumio, Maekawa, Sadamichi
core   +1 more source

C2α‐carbanion‐protonating glutamate discloses tradeoffs between substrate accommodation and reaction rate in actinobacterial 2‐hydroxyacyl‐CoA lyase

FEBS Open Bio, EarlyView.
Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn, Barbara Seroka, Ryszard Lazny, Zenon Lotowski, Thore Rohwerder   +4 more
wiley   +1 more source

Orbital moment in CoO and in NiO

, 2003
The total, orbital and spin moment of the Co2+ ion in CoO has been calculated within the quasi-atomic approach with taking into account strong correlations, crystal-field interactions and the intra-atomic spin-orbit coupling.
Abragam, Anisimov, Bredow, Fernandez, Jauch, Jauch, Neubeck, Neubeck, R.J. Radwanski, Radwanski, Radwanski, Ropka, Ropka, Solovyev, Z. Ropka   +14 more
core   +1 more source

Fluid Biomarkers of Disease Burden and Cognitive Dysfunction in Progressive Supranuclear Palsy

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Identifying objective biomarkers for progressive supranuclear palsy (PSP) is crucial to improving diagnosis and establishing clinical trial and treatment endpoints. This study evaluated fluid biomarkers in PSP versus controls and their associations with regional 18F‐PI‐2620 tau‐PET, clinical, and cognitive outcomes.
Roxane Dilcher, Charles B. Malpas, Stuart J. McDonald, William T. O’Brien, Craig Despott, Kelly L. Bertram, Matthew P. Pase, Lukas Frontzkowski, Meng Law, Terence J. O’Brien, Lucy Vivash   +10 more
wiley   +1 more source

Study of high-order harmonic generation in xenon based on time-dependent density-functional theory

New Journal of Physics, 2021
The high-order harmonic generation (HHG) in xenon is studied by using the time-dependent density-functional theory. The dynamics of all electrons on the outer 4th and 5th atomic shells is considered with subsequent separation of contributions of ...
A A Romanov, A A Silaev, T S Sarantseva, M V Frolov, N V Vvedenskii   +4 more
doaj   +1 more source

Polarization Dependence of Anomalous X-ray Scattering in Orbital Ordered Manganites

, 1998
In order to determine types of the orbital ordering in manganites, we study theoretically the polarization dependence of the anomalous X-ray scattering which is caused by the anisotropy of the scattering factor.
A. Kirfel, A. V. Kolpakov, B. J. Sternlieb, C. H. Chen, D. H. Templeton, D. H. Templeton, E. O. Wollan, E. Tsuji, G. Matsumoto, H. Kawano, H. Shiba, J. B. Goodenough, J. Kanamori, K. Chahara, K. I. Kugel, M. Blume, M. Fabrizio, M. Imada, P. G. Radaeli, R. Maezono, R. Shiina, R. von Helmolt, S. Ishihara, S. Ishihara, S. Ishihara, S. Ishihara, S. Ishihara, S. Jin, Sadamichi Maekawa, Sumio Ishihara, T. Mizokawa, T. Mizokawa, T. Nagano, T. Saitoh, V. E. Dmitrienko, W. Koshibae, W. Koshibae, Y. Ito, Y. Murakami, Y. Murakami, Y. Tokura, Z. Jirak   +41 more
core   +1 more source

Composite Electrospun Fibers Containing Optimized B‐ and Cu‐Doped Bioactive Glass Sol‐Gel Particles for Potential Soft Tissue Engineering Applications

Advanced Engineering Materials, EarlyView.
This article describes the preparation and characterization of poly(ε‐caprolactone) electrospun composite fibers incorporating sol‐gel‐derived bioactive glass particles doped with B and Cu. Scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, contact angle, acellular bioactivity, mechanical and ...
Elisa Piatti, Marta Miola, Liliana Liverani, Paolo Sartori, Enrica Verné, Aldo R. Boccaccini   +5 more
wiley   +1 more source

Manipulating d-orbital of Cu single atom site by coordination engineering for selective oxidation of benzene

Nature Communications
Single-atom catalysts (SACs) enable atomic-level control over active sites, but orbital-level manipulation to steer catalytic behavior remains challenging.
Shuchun Li, Changsheng Cao, Jiabin Chen, Wen Wen, Xuefei Zhang, Longji Cui, Yuke Li, Xing Huang, Yu Tang, Zailai Xie   +9 more
doaj   +1 more source

Limitations of Frontier Orbital and Charge Approaches in the Description of Electrophilic Aromatic Substitution

Organics
DFT calculations at the B3LYP/aug-cc-pVDZ level of theory on some aromatic substrates showed that in the HOMO (Highest Occupied Molecular Orbital) of nitrobenzene, the atomic coefficients are not in agreement with the meta-directing behavior of this ...
Lucia Emanuele, Maurizio D’Auria
doaj   +1 more source