Results 91 to 100 of about 390,156 (271)

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Electronic structure and the glass transition in pnictide and chalcogenide semiconductor alloys. Part I: The formation of the $pp\sigma$-network

, 2010
Semiconductor glasses exhibit many unique optical and electronic anomalies. We have put forth a semi-phenomenological scenario (J. Chem. Phys. 132, 044508 (2010)) in which several of these anomalies arise from deep midgap electronic states residing on ...
Albright T. A., Andriy Zhugayevych, Armstrong D. R., Baxter R. J., Braekken H., Burdett J. K., Elliott S. R., Feltz A., Harrison W. A., Madelung O., Mott N. F., Murrell J. N., Pearson W. B., Popescu M. A., Vassiliy Lubchenko, Wyckoff R. W. G.   +15 more
core   +1 more source

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu, Giovanni Gammaitoni, Michael Häfner, Eduardo Villalobos‐Portillo, Carlo Marini, Matteo Bianchini   +5 more
wiley   +1 more source

Unlocking Antioxidant Potential: Interactions Between Cyanidin-3-Glucoside and Corbicula fluminea Protein

Biology
Corbicula fluminea protein (CFP) and cyanidin-3-O-glucoside (C3G) are natural nutrient fortifiers. During consumption or processing, they may interact with each other, inducing alternations in their structural and functional properties.
Sifan Guo, Xuemei Liu, Fei Wang, Yong Jiang, Lili Chen, Meilan Yuan, Li Zhao, Chunqing Bai   +7 more
doaj   +1 more source

Structural Insights into HPV16 E6:E6AP:p53 Complex Formation and Inhibition by Covalent Peptides [PDF]

Structural Dynamics
Human papillomavirus (HPV) is the primary driver of cervical, head and neck, and anal cancers through its ability to hijack the cellular E3-ligase E6AP and promote degradation of the tumor suppressor protein p53.
Aaron H Nile
doaj   +1 more source

Maximally-localized Wannier Functions in Antiferromagnetic MnO within the FLAPW Formalism

, 2002
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave method within both
A. B. Shick, A. Svane, Alfonso Baldereschi, D. Singh, E. Krüger, E. Krüger, G. H. Wannier, H. J. Monkhorst, H.J.F. Jansen, I. Souza, K. Terakura, M. Posternak, Michel Posternak, N. Marzari, Nicola Marzari, R. D. King–Smith, S. Massidda, S. Massidda, S. Massidda, S. Massidda, Sandro Massidda, V. I. Anisimov, W. L. Roth, Z. Szotek   +23 more
core   +1 more source

Intramolecular Down‐ and Up‐Conversion in Dimeric Tetracene Complexes Centered via Platinum(II) and Palladium(II)

Advanced Functional Materials, EarlyView.
Metal‐tetracene dimeric complexes are synthesized through the pyridyl coordination to either Pt(II) or Pd(II). Photophysical properties are systematically compared as a function of the metal using steady‐state and time‐resolved spectroscopy. The Pt(II) dimer exhibits efficient intramolecular singlet fission and subsequent intramolecular up‐conversion ...
Yifan Bo, Yuxuan Hou, Melchor Matabuena, Rik R. Tykwinski, Dirk M. Guldi   +4 more
wiley   +1 more source

Some Interesting Features of Non-Covalent Interactions

Croatica Chemica Acta, 2014
Interactions between closed-shell systems exhibit some common features, four of which are particularly strong for beryllium bonds: geometrical distortion, cooperativity, changes in intrinsic reactivity and changes in the magnetic properties of the interacting subunits, which reflect the perturbations of their electron densities through polarization ...
Martín-Sómer, Ana, Montero-Campillo, M. Merced, Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José   +5 more
openaire   +4 more sources

3D (Bio) Printing Combined Fiber Fabrication Methods for Tissue Engineering Applications: Possibilities and Limitations

Advanced Functional Materials, EarlyView.
Biofabrication aims at providing innovative technologies and tools for the fabrication of tissue‐like constructs for tissue engineering and regenerative medicine applications. By integrating multiple biofabrication technologies, such as 3D (bio) printing with fiber fabrication methods, it would be more realistic to reconstruct native tissue's ...
Waseem Kitana, Indra Apsite, Leonid Ionov   +2 more
wiley   +1 more source