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Essential oils from six species of aromatic plants collected in the Catamarca Province of Argentina were evaluated for their chemical composition and repellent and insecticidal activities against beetles of the genus Car...

Using molecular dynamics experiments, we analyze the association of "Janus" 6-amino-6-deoxy-2O-carboxymethyl-β-cyclodextrins (JCD) in aqueous solutions. In JCD dimers, the free energy associated with the primary-rim-sec...

The adsorption of commercial trypsin (Try) onto epichlorohydrin cross-linked alginate–guar gum matrix has been studied at equilibrium in batch and in fixed bed column. Experiments were conducted to study the effect of ...

The coalescence process of two nanoparticles to yield a core-shell structure is analyzed by a well-tempered metadynamics procedure. This methodology has been shown to be useful in understanding the present phenomenon in ...

Sodium caseinate suspensions (Cas) are stabilized as submicelles in a dynamic system consisting of caseins α, β, and κ. Their use in the food industry is quite widespread because of their functional properties and nut...

It is shown that the anapolar interaction of the electrons of a molecule with an external uniform magnetic field B and a uniform curl C = × B′ determines different thermodynamic stabilization of the ground state for t...

High-power density output in enzymatic fuel cells is a key feature to reduce the size of self-powered implantable medical devices. Electron transfer mediated through redox polyelectrolytes allows the transport of electro...

Recently, DNA molecules have received great attention because of their potential applications in material science. One interesting example is the production of highly fluorescent and tunable DNA–Agn clusters with cytos...

Due to the impact of crude oil prices on refinery revenues, the petroleum industry has switched to processing lowcost crude oils. They are blended with high-quality crude oils to feed the crude distillation units (CDUs) ...

Molecular iodine was identified as an efficient catalyst for the cycloisomerization of conjugated dienals to substituted 2-cyclopentenones. DFT calculations suggested an unexpected concerted character for this cyclizatio...

The choice of optimal electrolytes is crucial for improving the electrochemical performance of a lithium air battery because it determines the morphology of the discharge products in the cathode and the conductivity of t...

Light absorption in gold nanoparticles leads to metal heating that induces photothermal reshaping because of atomic surface diffusion at temperatures well below the gold melting point. In this work, we perform time-resol...

Metal–organic frameworks (MOFs) have emerged as promising materials for atmospheric water harvesting (AWH). Large-pore MOFs provide high water capacity, but their significant hysteresis between sorption and desorption ...

In this work, we apply the recently developed frequency shift of nanoantennas (FRESA) technique to measure the Young’s modulus of thin mesoporous films at GHz frequencies as a function of porosity with local precision....

Bioinorganic canon states that active-site thiolate coordination promotes rapid electron transfer (ET) to and from type 1 copper proteins. In recent work, we have found that copper ET sites in proteins also can be constr...

A protocol is developed to allow the accurate characterization of partition to lipid bilayers for solutes with low affinity, using isothermal titration calorimetry. The methodology proposed is suitable for studies using ...

The phase equilibria of binary CO2 + n-alkane mixtures have been studied by an important number of authors, both experimentally and using different types of thermodynamic models. Modeling studies of the phase behavior of...

The photochemical one-electron oxidation of alkyl aryl selenides was studied by means of laser flash photolysis (355 nm). Quenching of the sensitizers in their excited state leads to selenide radical cation in the presen...

The oxidation of proteins and, in particular, of tryptophan (Trp) residues leads to chemical modifications that can affect structure and function. The oxidative damage to proteins in photochemical processes is relevant i...

We introduce p-MINFLUX, a new implementation of the highly photon-efficient single-molecule localization method with a simplified experimental setup and additional fluorescence lifetime information. In contrast to the or...

We have investigated the reaction of peroxynitrite with carbon dioxide in aqueoussolution by means of combined quantum-classical (QM-MM) molecular dynamics simulations.In our QM-MM scheme, the reactant was modeled using ...