A CNT-AuNP hybrid has been synthesized through the Michael addition reaction between thiol-functionalized single-wall CNT and small water-soluble Maleimide-AuNP. The resilience and stability of this hybrid nanosystem is ensured by a covalent bond linking the nanoparticle to the CNT and by the fact that the functionalization reaction involves the organic shell of the AuNP and not its metallic core.

Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach, relying on the strongly constrained and appropriately normed (SCAN) density functional, provides such a description of water. SCAN accurately describes the balance among covalent bonds, hydrogen bonds, and van ...

Transverse and longitudinal relaxation times (T1ρ and T1) have been widely exploited in NMR to probe the binding of ligands and putative drugs to target proteins. We have shown recently that long-lived states (LLS) can be more sensitive to ligand binding. LLS can be excited if the ligand comprises at least two coupled spins. Herein we broaden the scope of ligand screening by LLS to arbitrary li...

DNA single strands can be applied as templates for the self-assembly of Py≡dU chromophores in H2O with optical properties that are very similar to Py≡dU stacks that are covalently attached to DNA. The chirality, however, of the non-covalent stacks is opposite to that of the covalent stacks.

We have modeled the photoinduced volume change in amorphous selenium. After photon absorption, we treated the excited electron and hole independently within the framework of the tight-binding formalism. We found covalent bond breaking in amorphous networks with photoinduced excited electrons, whereas excited holes contribute to the formation of interchain bonds. We also observed a correlated vo...

The challenge in DNA-based asymmetric catalysis is to perform a reaction in the vicinity of the helix by incorporating a small-molecule catalyst anchored to the DNA in a covalent, dative, or non-covalent yet stable fashion in order to ensure high levels of enantio-discrimination. Here, we report the first generation of a DNA-based catalyst bound to a cellulose matrix. The chiral biomaterial is ...

This review is focused on what has been learned in recent research studies concerned with fundamental aspects of soft-landing and reactive landing of peptide ions on self-assembled monolayer surfaces (SAMs). Peptide ions are particularly attractive model systems that provide important insights on the behavior of soft landed proteins, while SAMs provide a convenient and flexible platform for tai...

The formation of grain boundaries (GBs) in graphene films is both fundamentally interesting and practically important for many applications. A GB in graphene is known as a linear defect and is formed during the coalescence of two single crystalline graphene domains. The covalent binding between domains is broadly known as the mechanism of GB formation during graphene chemical vapor deposition (...

Industrial growth in recent years led to air pollution and an increase concentration of hazardous gases such as O3 NO. Developing new materials is important detect reduce pollutants. While catalytic decomposition zeolites are traditional ways used the amount these gases. We need develop explore promising materials. Covalent organic framework (COF) has become attractive platform for researcher d...

The transient and steady-state behavior of a reversible covalent modification system is examined. When the modifying enzymes operate outside the region of first-order kinetics, small percentage changes in the concentration of the effector controlling either of the modifying enzymes can give much larger percentage changes in the amount of modified protein. This amplification of the response to a...