Stability and cooperativity in chimeric de novo TIM barrels via quarter swapping. [PDF]
Abstract The use of repetitive units as building blocks in protein design, mimicking evolutionary duplication events, is a valuable strategy that reduces structural complexity. Such modular designs offer an opportunity to dissect how local contributions are integrated in a context‐dependent manner.
Rodríguez-Meza O +5 more
europepmc +2 more sources
Mechanochemical Synthesis of Lead-Free Halide Layered Double Perovskites: A Green and Scalable Approach. [PDF]
Herein we report a facile, green, and scalable synthetic alternative for the obtention of layered double perovskites (LDPs) via mechanosynthesis. This approach allows for the synthesis of phase‐pure LDPs in batches of up to 5 g within minutes. To our knowledge, this represents the largest scale and fastest synthesis of these materials reported to date.
Escobedo-Perez TI +2 more
europepmc +2 more sources
Exploring the Antimicrobial Potential of Vanadium-Based MXenes for Biomedical Applications. [PDF]
Vanadium‐based MXenes (V₂CTₓ and V₄C₃Tₓ) exhibit moderate antibacterial activity against E. coli and S. aureus, mainly through mechanical “nano‐knife” membrane disruption rather than ROS generation. These nanomaterials show good biocompatibility and highlight the importance of standardized experimental models for evaluating MXene antimicrobial ...
Rosato R +13 more
europepmc +2 more sources
Mapping Functionally Relevant Tractable Lysines of Challenging Protein Targets by Covalent Fragment Screening. [PDF]
Screening a lysine‐targeting covalent fragment library against challenging protein targets revealed suitable warheads and characterized binding sites for the development of targeted covalent ligands. Covalent fragment screening has become an established strategy for identifying targetable amino acid residues or viable chemical starting points against ...
Csorba N +18 more
europepmc +2 more sources
Stereospecific Assembly of Triply Chiral Pseudopeptidic Cages Through Dynamic Dual Chirality Transfer. [PDF]
The spontaneous assembly of triply chiral (L, Δ, P or D, Λ, M) cages has been achieved from a simple tripodal chiral effector based on phenylalanine tris(amidoamine), non‐chiral bipyridine dialdehyde, and a metal ion. Orthogonal imine bond and iron (II) coordination generate a single combination of chiral elements, while configurationally stable ...
Bhosale TD +6 more
europepmc +3 more sources
Efecto de las sales fundidas en la termofluencia del acero inoxidable tipo 304
Los problemas causados tanto por la corrosión por sales fundidas, así como por la termofluencia en los tubos de los sobrecalentadores y recalentadores de una planta de potencia que usa combustibles fósiles, reducen su vida prevista en diseño.
G. González-Rodríguez +3 more
doaj +1 more source
DFT Study of Intrinsic and Induced p-type Conductivity of ZnO Material [PDF]
Density functional theory and generalized gradient approximation including a Hubbard-like term was used in the present work to analyse p-type electrical conductivity as well as the switch of n-type p-type conductivity in the ZnO materials.
F. Marcillo +2 more
doaj +1 more source
Epigallocatechin 3-gallate inhibits the plasma membrane Ca2+-ATPase: effects on calcium homeostasis
Flavonoids are natural compounds responsible for the health benefits of green tea. Some of the flavonoids present in green tea are catechins, among which are: epigallocatechin, epicatechin-3-gallate, epicatechin, catechin and epigallocatechin-3-gallate ...
Débora E. Rinaldi +8 more
doaj +1 more source
A Borane Sandwich Analogue of Ferrocene
The first ferrocene analogue with two boron‐based ligands is identified through a global exploration of the FeB10H20 potential energy surface. The η5,η5‐Fe(B5H10)2 complex emerges as the global minimum, showing that metal coordination inverts borane stability and enables aromatic boron rings inaccessible in isolation.
Viviana Roman‐Ventura +8 more
wiley +2 more sources
For polar Diels–Alder (DA) reactions, one of the most relevant aspects is its dependence on the reaction media; thus, in this work, the objective is to analyze the effect of aqueous micellar systems on the synthesis of compounds of biological interest ...
Jésica B. Soffietti +2 more
doaj +1 more source

