Polymeric materials play an essential and ubiquitous role in modern societies, but they are inevitably damaged during service, which can lead to compromised performance or even direct failure. The sensitive…
Clusteroluminogens (CLgens) refer to some non-conjugated molecules that show visible light due to the formation of aggregates and unique electronic properties with through-space interactions (TSI). Although mature and systematic theories…
Network pharmacology analysis can act as a strategy to identify the pharmacological effect of plant-based bioactive compounds against coronavirus diseases. This study aimed to investigate the potential pharmacological mechanism of…
Ion mobility spectrometry is widely used for the detection of illegal substances and explosives in airports, ports, custom, some stations and many other important places. This task is usually complicated…
The linkage of metal-organic polyhedra (MOPs) for the synthesis of porous soft materials is one of the promising strategies to combine processability with permanent porosity. Compared to the defined internal…
We present a high-throughput computational study to {identify|determine|recognize} novel polyimides (PIs) with exceptional refractive index (RI) values for use as optic or optoelectronic {materials|supplies|components}. Our study utilizes an RI prediction…
The use of machine learning for the prediction of physical and chemical properties of crystals based on their structure alone is currently an area of intense research in computational materials…
Nanodiamonds (NDs) with color centers are excellent emitters for various bioimaging and quantum biosensing applications. In our work, we explored new applications of NDs with silicon-vacancy centers (SiV) obtained by…
Building blocks containing $5d$ spin centres are promising for constructing single molecule magnets due to their large spin-orbit interaction, but experimental and computational results obtained so far indicate that this…
We introduce here a multifunctional material composed of alternating atomic sulfide sheets close to CuFeS2 and Mg-based hydroxide ones (valleriite), which are assembled due to their electric charges of opposite…