Results 81 to 90 of about 952,884 (290)

Strength through diversity: how cancers thrive when clones cooperate

Molecular Oncology, EarlyView.
Intratumor heterogeneity can offer direct benefits to the tumor through cooperation between different clones. In this review, Kuiken et al. discuss existing evidence for clonal cooperativity to identify overarching principles, and highlight how novel technological developments could address remaining open questions.
Marije C. Kuiken, Maartje Witsen, Emile E. Voest, Krijn K. Dijkstra   +3 more
wiley   +1 more source

First-principles electronic-band calculations on organic conductors

Science and Technology of Advanced Materials, 2009
Predicting electronic-band structures is a key issue in understanding the properties of materials or in materials design. In this review article, application examples of first-principles calculations, which are not based on adjustable empirical ...
Shoji Ishibashi
doaj  

Linear and nonlinear Edelstein effects in chiral topological semimetals

Materials Today Quantum
Recently, there has been growing interest in achieving on-demand control of magnetism through electrical and optical means. In this work, we provide first-principles predictions for the linear and nonlinear Edelstein effects (LEE and NLEE) in the chiral ...
Haowei Xu, Ju Li
doaj   +1 more source

Using First-Principles Calculation Packages

Hyomen Kagaku, 2007
In order to help those who want to learn first-principles calculations, specification requirements for a computing machine will be shown and a few of first-principles calculation packages will be introduced.
openaire   +2 more sources

LDAcoop: Integrating non‐linear population dynamics into the analysis of clonogenic growth in vitro

Molecular Oncology, EarlyView.
Limiting dilution assays (LDAs) quantify clonogenic growth by seeding serial dilutions of cells and scoring wells for colony formation. The fraction of negative wells is plotted against cells seeded and analyzed using the non‐linear modeling of LDAcoop.
Nikko Brix, Daniel Samaga, Katharina Gehr, Benedek Dankó, Mohamed Schumann, Guido Drexler, Ahmed Alnatsha, Georg Beyer, Ujjwal Mahajan, Martin Selmansberger, Julia Mayerle, Claus Belka, Horst Zitzelsberger, Kirsten Lauber   +13 more
wiley   +1 more source

Surface-Dependent Isotopic Adsorption of CO on α-Al₂O₃: Role of Weak Interactions and Zero-Point Energy

Molecules
Carbon isotopes, particularly 13C, are critical for applications in food authentication, biomedical diagnostics, and metabolic research; however, their efficient separation remains challenging due to their low natural abundance.
Qun Yang, Xiyue Cheng, Qian Xu, Shuiquan Deng   +3 more
doaj   +1 more source

Thermoelectric properties of MoC monolayers from first-principles calculations

AIP Advances, 2020
The thermoelectric properties of molybdenum monocarbide (MoC) monolayers, a new 2D material, are calculated from first-principles calculations using Boltzmann transport theory.
Yan Wang, Yu Zhou, Xiao-Ping Liu, Zhao-Yi Zeng, Cui-E. Hu, Xiang-Rong Chen   +5 more
doaj   +1 more source

Basis Functions for Linear-Scaling First-Principles Calculations

, 1996
In the framework of a recently reported linear-scaling method for density-functional-pseudopotential calculations, we investigate the use of localized basis functions for such work.
A.P. Seitsonen, C. Lee, C. M. Goringe, C.C. Chen, D.R. Hamann, D.R. Hamann, E. Hernández, E. Hernández, E. Hernández, E. Tsuchida, E. Tsuchida, E.L. Briggs, F. Gygi, F. Gygi, F. Gygi, F. Mauri, F. Mauri, G. Galli, G. Galli, G.P. Kerker, H.J. Monkhorst, J. Kim, J.-P. Lu, J.A. Appelbaum, J.P. Modisette, J.R. Chelikowsky, J.R. Chelikowsky, K. Cho, L. Kleinman, L.L. Schumaker, M. J. Gillan, M.C. Payne, M.J. Gillan, P. Hohenberg, P. Ordejón, P. Ordejón, P. Ordejón, P.M. Prenter, R. Car, R.W. Nunes, S. Baroni, S.Q. Wei, W. Hierse, W. Kohn, W. Yang, W. Yang, W. Yang, W.H. Press, X. Jing, X.P. Li   +49 more
core   +1 more source

Infrared laser sampling of low volumes combined with shotgun lipidomics reveals lipid markers in palatine tonsil carcinoma

Molecular Oncology, EarlyView.
Nanosecond infrared laser (NIRL) low‐volume sampling combined with shotgun lipidomics uncovers distinct lipidome alterations in oropharyngeal squamous cell carcinoma (OPSCC) of the palatine tonsil. Several lipid species consistently differentiate tumor from healthy tissue, highlighting their potential as diagnostic markers.
Leonard Kerkhoff, Manuela Moritz, Dennis Eggert, Anna Worthmann, Joerg Heeren, Henrike Zech, Till S. Clauditz, Waldemar Wilczak, Hartmut Schlüter, Christian S. Betz, Arne Böttcher, Jan Hahn   +11 more
wiley   +1 more source

The dominant roles of “electron-density-mechanism” and “chemical-bonding-mechanism” for hydrogen in molybdenum and lithium

Nuclear Materials and Energy
Using first-principles calculations, we have systematically studied structures and thermodynamic stability of interstitial H as well as the H-vacancy interaction in molybdenum (Mo) and lithium (Li).
Quan-Fu Han, Zongru Li, Keying Cheng, Peng Shao, Kun Jie Yang, Yue-Lin Liu   +5 more
doaj   +1 more source