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Pipeline networks are the dominant mode of conveying a wide variety of oil refined products from refineries to distribution terminals. Pipeline infrastructure usually comprises trunk lines serving high-volume, long-haul ...

The development of dye-sensitized solar cells requires an in-depth understanding of the interfacial charge-transfer dynamics that take place between dye sensitizers and semiconductors. Here, we describe a prototype syste...

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) ...

The knowledge and the ability to describe the phase equilibrium behavior of systems composed of transesterification products are very important in the optimization of biodiesel production and purification process. In thi...

The coherent manipulation of acoustic waves on the nanoscale usually requires multilayers with thicknesses and interface roughness defined down to the atomic monolayer. This results in expensive devices with predetermine...

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 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 ...

The increasing complexity of composite materials structured on the nanometer scale requires highly sensitive analytical tools for nanoscale chemical identification, ideally in three dimensions. While infrared near-field ...

Steady-state and time-resolved emission spectroscopy (TRES) of the medium-sensitive probes 4-aminophthalimide (4-AP) and 6-propionyl-2-(dimethylamino)naphthalene (Prodan) were performed at 77 and 298 K in vacuum-sealed t...

Several studies have been published regarding the interaction between the spike protein of the novel coronavirus SARS-CoV-2 and ACE2 receptor in the host cells. In the presente work, we evaluated the in silico properties...

A two-step synthesis of six-, seven-, eight-, and nine-member benzo-fused heterocycles in good to excellent yields is reported. The synthetic strategy involves the generation of a new intramolecular alpha-aryl ketone bon...

Carbon nanodots (CNDs) undergo electron transfer in different scenarios. Previous studies have mainly focused on the electron-accepting features of CNDs in covalently linked donor-acceptor nanoconjugates. In view of this...

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...

We find that for adsorbed terephthalic acid (TPA) molecules surface Sn alloying deactivates the Cu(001) surface by decoupling the adsorbed molecules from the substrate. This effect is investigated for the case of the 0.5...

Graphene nanoribbons with both armchair- and zigzag-shaped hydrogen-passivated edges (AGNR and ZGNR) have band gaps which depend on the width of the ribbon. In particular, a ZGNR has localized electronic states at the ed...

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...