Molecular Dynamics of Steroidal Rotors Probed by Theoretical, Spectroscopic and Dielectric Methods.

Our study focuses on molecular rotors with fast-moving rotators and their potential applications in the development of new amphidynamic crystals. Steroidal molecular rotors with a dipolar fluorine-substituted phenyl group as the rotator were synthesized and characterized. Three different rotors were investigated with varying numbers of fluorine atoms.

First Evidence of Microplastic Occurrence in the Marine and Freshwater Environments in a Remote Polar Region of the Kola Peninsula and a Correlation with Human Presence.

Microplastics (MPs) have even been detected in remote environments, including high-latitude regions, where human activities are restricted or strongly limited. We investigated the surface water of the bays of the Barents Sea and the freshwater lakes that are located close to and several kilometers from a year-round resident field station in the remote tundra region of the Kola Peninsula. The microplastics' presence in aquatic environments in this region has not been indicated yet.

Bis(Vinylenedithio)-Tetrathiafulvalene-Based Coordination Networks.

Novel coordination polymers embedding electroactive moieties present a high interest in the development of porous conducting materials. While tetrathiafulvalene (TTF) based metal-organic frameworks were reported to yield through-space conducting frameworks, the use of S-enriched scaffolds remains elusive in this field. Herein is reported the employment of bis(vinylenedithio)-tetrathiafulvalene (BVDT-TTF) functionalized with pyridine coordinating moieties in coordination polymers.

Machine Learning Approach for Application-Tailored Nanolubricants' Design.

The fascinating tribological phenomenon of carbon nanotubes (CNTs) observed at the nanoscale was confirmed in our numerous macroscale experiments. We designed and employed CNT-containing nanolubricants strictly for polymer lubrication. In this paper, we present the experiment characterising how the CNT structure determines its lubricity on various types of polymers.

Medium-term response of the natural grassland soil biota to multiwalled carbon nanotube contamination.

Although the soil environment can potentially be exposed to contamination by carbon nanotubes (CNT), its impact on soil biology is poorly understood. In this study, we investigated the effect of the multiwalled CNT (MWCNT) contamination on different groups of soil organisms (microbial, micro- and mesofaunal communities) as well as the soil enzyme activity. The experimental mesocosms included the intact soil cores that were collected from a natural grassland.

Steroidal Molecular Rotors with 1,4-Diethynylphenylene Rotators: Experimental and Theoretical Investigations Toward Seeking Efficient Properties.

Properly designed molecular rotors with sizable stators and a fast-moving rotator could provide efficient building blocks for amphidynamic crystals. Herein, we report the synthesis of steroidal compounds , , and and their deuterated analogues , , and envisioned to work as molecular rotors. The obtained compounds were characterized by attenuated total reflection-infrared, Raman, and circular dichroism (CD) spectroscopy measurements.

The Indirect Tribological Role of Carbon Nanotubes Stimulating Zinc Dithiophosphate Anti-Wear Film Formation.

Experimental studies reveal that the simultaneous addition of zinc dialkyl dithiophosphates (ZDDPs) and multi-wall carbon nanotubes (MWCNTs) to a poly-alpha-olefin base oil strongly reduces wear. In this paper, it is shown that MWCNTs promote the formation of an anti-wear (AW) layer on the metal surface that is much thicker than what ZDDPs can create as a sole additive. More importantly, the nanotubes' action is indirect, i.

In silico Raman spectroscopy of YAlO single-crystalline film.

The Raman response of the YAlO (YAP) perovskite is modeled by means of periodic density functional theory. A number of different approximations to the exchange-correlation functional are benchmarked against the structural and spectroscopic data as imposing all-electron Gaussian-type basis sets. The WC1LYP functional was found to be superior, particularly outperforming other tested approaches in the prediction of the local structure of the AlO subunits, which reflects in the observed lattice-dynamics.

Increased biological removal of 1-chloronaphthalene as a result of exposure: A study of bacterial adaptation strategies.

Effective biodegradation of hydrophobic pollutants, such as 1-chloronaphthalene, is strictly associated with the adaptation of environmental bacteria to their assimilation. This study explores the relation between the modifications of cell properties of bacteria belonging to Pseudomonas and Serratia genera resulting from a 12-month exposure to 1-chloronaphthalene, and their biodegradation efficiency. In the presented study, both bacterial strains exhibited higher (70%) degradation of this compound after exposure compared to unexposed (55%) systems.

Vibrational spectroscopic characterization of cyclic and acyclic molecular rotors with 1,4-diethynylphenylene-d rotators.

The synthesis and characterization of acyclic and cyclic molecular rotors with 1,4-diethynylphenylene-d rotators are described. The ATR-FTIR and Raman spectra of acyclic rotor 3 and cyclic rotor 5E were measured and interpreted. A feature of ATR-FTIR spectrum of rotor 5E is a strong two-component band around 1730cm attributed to symmetric and asymmetric stretching vibration of the carbonyl group, while this is not observed in rotor 3.

The effect of spermine concentration on the solution structure of complexes formed in copper(II)/adenosine 5'-triphosphate/phosphoserine system.

Quaternary systems of copper(II) complexes with adenosine 5'-triphosphate, O-phospho L-serine and with equimolar or excessive amount of spermine have been investigated. The studies have been performed in aqueous solution. Types of complexes and the overall stability constants have been determined using the potentiometric method with computer analysis of the data.