Expanding the Variety of Pyridinium-Based bis-QACs with Antimicrobial Properties: Investigation into Linker Structure-Activity Correlation.

For decades quaternary ammonium compounds (QACs) have served as main component of a top antiseptic and disinfectant compositions. Among them, bis-QACs are the most prominent and effective class of biocides. Although mono-QACs still dominate the antiseptic market, their activity against Gram-negative bacteria is largely inferior to bis-QACs.

Development of Naphthalene-Derivative Bis-QACs as Potent Antimicrobials: Unraveling Structure-Activity Relationship and Microbiological Properties.

While the pandemic is behind us, the world community faces a global threat of bacterial resistance outbreak. One of the key ways to combat the spread of multi-resistant bacteria is infection prevention and control tactics using modern antiseptic and disinfectant compositions. Herein, we continue the path to unravel the structure-activity relationship (SAR) of potent pyridine-derived biocide class bis-quaternary ammonium compounds (QACs).

Enhancing model identification with SINDy via nullcline reconstruction.

Many dynamical systems exhibit oscillatory behavior that can be modeled with differential equations. Recently, these equations have increasingly been derived through data-driven methods, including the transparent technique known as Sparse Identification of Nonlinear Dynamics (SINDy). This paper illustrates the importance of accurately determining the system's limit cycle position in phase space for identifying sparse and effective models.

Self-organized bistability on globally coupled higher-order networks.

Self-organized bistability (SOB) stands as a critical behavior for the systems delicately adjusting themselves to the brink of bistability, characterized by a first-order transition. Its essence lies in the inherent ability of the system to undergo enduring shifts between the coexisting states, achieved through the self-regulation of a controlling parameter. Recently, SOB has been established in a scale-free network as a recurrent transition to a short-living state of global synchronization.

Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate.

Trimethylglycine (glycine betaine, GB) is an important organic osmolyte that accumulates in various plant species in response to environmental stresses and has significant potential as a bioactive agent with low environmental impact. It is assumed that the hydration of GB is playing an important role in the protective mechanism. The hydration and aggregation properties of GB have not yet been studied in detail at the atomistic level.