Results 51 to 60 of about 205,731 (305)
Generalization of the mixed-space cluster expansion method for arbitrary lattices
npj Computational Materials, 2023 Mixed-space cluster expansion (MSCE), a first-principles method to simultaneously model the configuration-dependent short-ranged chemical and long-ranged strain interactions in alloy thermodynamics, has been successfully applied to binary FCC and BCC ...
Kang Wang, Du Cheng, Bi-Cheng Zhou
doaj +1 more source
FEBS Letters, EarlyView.We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee +3 more
wiley +1 more source
The Joint Solvation Interaction
EntropyThe solvent-induced interactions (SIIs) between flexible solutes can be separated into two distinct components: the solvation-induced conformational effect and the joint solvation interaction (JSI).
Ali Hassanali, Colin K. Egan
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A cluster expansion for interacting spin-flip processes
MATEC Web of Conferences, 2017 We consider a system of spin flip processes, one-for each point of ℤ${\mathbb Z}$, interacting through an Ising type interaction. We construct a cluster expansion and prove that it is convergent when the intensity h of the spin-flip processes is ...
Campanino Massimo, Gianfelice Michele
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FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source
Stability of tantalum-doped Li7La3Zr2O12 (LLZO) via cluster expansion and Monte Carlo [PDF]
MATEC Web of ConferencesThis study employs first-principles calculations and cluster expansion to explore new stable phases of Ta-doped LLZO (Li5La3Zr2-xTaxO12) to enhance the conductivity of the tetragonal structure.
Malatji Kemeridge +4 more
doaj +1 more source
A Cluster Expansion Formula ($A_n$ case) [PDF]
The Electronic Journal of Combinatorics, 2008 We consider the Ptolemy cluster algebras, which are cluster algebras of finite type $A$ (with non-trivial coefficients) that have been described by Fomin and Zelevinsky using triangulations of a regular polygon. Given any seed $\Sigma$ in a Ptolemy cluster algebra, we present a formula for the expansion of an arbitrary cluster variable in terms of the
openaire +4 more sources
Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source
L-based numerical linked cluster expansion for square lattice models
, 2023 We introduce a numerical linked cluster expansion for square-lattice models whose building block is an L-shape cluster. For the spin-1/2 models studied in this work, we find that this expansion exhibits a similar or better convergence of the bare sums ...
Rigol, Marcos, Abdelshafy, Mahmoud
core +1 more source
Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system
FEBS Letters, EarlyView.Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley +1 more source