Selective adhesion of nitrogen-containing toxic gasses on hexagonal boron phosphide monolayer: a computational study.

CONTEXT: Various toxic gasses are being released into the environment with the increasing industrialization. However, detecting these gasses at low concentrations has become one of the main challenges in environmental monitoring and protection. Thus, developing sensors with high performance to detect toxic gasses is of utmost significance. For this purpose, researchers have introduced 2D materials thanks to their unique electronic qualities and large specific surface area. Within this piece of research, a hexagonal boron phosphide monolayer (h-BPML) is employed as the substrate material. The adhesion behavior of ambient nitrogen-containing toxic gasses, i.e., N2O, NH3, NO2, and NO, onto the h-BPML is investigated through DFT computations. The adhesion energy values for gasses NO and NO2 were calculated to be - 0.509 and - 0.694 eV on the h-BPML, respectively. Meanwhile, the absorbed energy values for gasses NH3 and N2O were found to be - 0.326 and - 0.119 eV, respectively. The recovery time, DOS, workfunction, and Bader charges were computed based on four optimal adhesion structures. After the absorption of NO on the h-BPML, the value of workfunction of a monolayer decreased from 1.54 to 0.47 eV. This amount of decrease was the greatest among the other gasses absorbed. By comparing the investigated parameters, it can be concluded that the h-BPML has a greater tendency to interact with NO gas compared to other gasses, and it can be proposed as a sensor for NO gas. METHOD: Within this piece of research, the sensitivity of the h-BPML to four nitrogenous toxic gasses, namely, N2O, NH3, NO2, and NO, was investigated using the DFT with HSE06 hybrid functional by using GAMESS software. For this purpose, we computed the DOS, workfunction, and the Bader charges for the four adhesion systems with most stability.

Examination of the vessel's shape, resistive force and volumetric-aqueous efficiencies to optimize the vessels' foil under noise propagation.

There are several parameters in designing undersurface vessel forms, the most important of which is the hull's total strength, which includes the strength of the hull and its attachments. According to studies, 70 % of the total strength of the vessels is related to their hull only without attachments. The hull has three major parts: nose, cylinder, and heel. The advanced vessels' architecture has a parallel shape (cylinder shape). This cylindrical part is important in examining the used volume by pilots and vessel equipment. This paper uses the CFD method to examine the vessel's shape, and the resistive force and volumetric-aqueous efficiencies are extracted. An optimum profile is extracted by the values of resistive force and volumetric-aqueous efficiencies. The results indicate the significant effect of the hull form on the hydro-acoustic noise of the hull. In other words, by optimizing the hydrodynamic form of the hull, the noise propagation can be reduced as much as possible. Also, the linear slope of the optimized hull is not optimized more than the hull. This means that the turbulence caused by the optimized hull has a higher damping potential.

Recent investigations into deborylative (thio-/seleno-) cyanation of aryl boronic acids.

In this review, we intend to summarize the most important discoveries in the deborylative (thio-/seleno-) cyanation of aryl boronic acids from 2006 to the end of 2023. Thus, the review is divided into three parts. The first section focuses exclusively on cyanation of aryl boronic acids into aryl nitriles. The second section covers the available literature on the synthesis of aryl thiocyanates through thiocyanation of respective aryl boronic acids. The third will discuss selenocyanation of aryl boronic acids into aryl selenocyanates.

A review of recent advancement in covalent organic framework (COFs) synthesis and characterization with a focus on their applications in antibacterial activity.

The primary objective of this review is to present a comprehensive examination of the synthesis, characterization, and antibacterial applications of covalent organic frameworks (COFs). COFs represent a distinct category of porous materials characterized by a blend of advantageous features, including customizable pore dimensions, substantial surface area, and adaptable chemical properties. These attributes position COFs as promising contenders for various applications, notably in the realm of antibacterial activity. COFs exhibit considerable potential in the domain of antibacterial applications, owing to their amenability to functionalization with antibacterial agents. The scientific community is actively exploring COFs that have been imbued with metal ions, such as copper or silver, given their observed robust antibacterial properties. These investigations strongly suggest that COFs could be harnessed effectively as potent antibacterial agents across a diverse array of applications. Finally, COFs hold immense promise as a novel class of materials for antibacterial applications, shedding light on the synthesis, characterization, and functionalization of COFs tailored for specific purposes. The potential of COFs as effective antibacterial agents beckons further exploration and underscores their potential to revolutionize antibacterial strategies in various domains.

Deciphering the oncogenic landscape: Unveiling the molecular machinery and clinical significance of LncRNA TMPO-AS1 in human cancers.

The in-depth exploration of long non-coding RNAs (lncRNAs) reveals their pivotal and diverse roles in various disorders, particularly cancer. Within this intricate landscape, thymopoietin-antisense RNA-1 (TMPO-AS1) emerges as a noteworthy instigator of oncogenesis in humans. This exhaustive review seeks to intricately unravel the present understanding of TMPO-AS1, emphasizing its molecular foundations and highlighting its clinical applications in the realm of cancer research. TMPO-AS1 consistently exhibits heightened expression across a spectrum of cancer types, encompassing lung, colorectal, breast, cervical, bladder, pancreatic, hepatocellular, gastric, ovarian, and osteosarcoma. Elevated levels of TMPO-AS1 are intricately linked to unfavorable prognoses, accompanied by distinctive clinical and pathological characteristics. Functionally, TMPO-AS1 showcases its prowess in enhancing cancer cell migration, invasion, proliferation, and orchestrating epithelial-mesenchymal transition (EMT) through a myriad of molecular mechanisms. These mechanisms entail intricate interactions with proteins, microRNAs, and intricate signaling pathways. Furthermore, TMPO-AS1 is intricately involved in regulating critical cellular processes, including apoptosis and the cell cycle. The mounting evidence converges towards the potential of TMPO-AS1 serving as a diagnostic and prognostic biomarker, further entwined with its potential role in influencing chemoresistance in cancer. This potential is underscored by its consistent associations with clinical outcomes and treatment responses. This comprehensive investigation not only consolidates our existing knowledge of TMPO-AS1's multifaceted roles but also sheds illuminating insights on its profound significance in the intricate landscape of cancer biology, paving the way for potential applications in clinical practice.

Hydrazinosulfonylation of aryl electrophiles: a straightforward approach for the synthesis of aryl N-aminosulfonamides.

In recent years, the direct hydrazinosulfonylation of aryl electrophiles with SO2 and hydrazines has emerged as an efficient and versatile method for the synthesis of aryl N-aminosulfonamides. This method has the advantages of being operationally simple and requiring only readily available starting materials. This review article is an attempt to survey literature describing the preparation of aryl N-aminosulfonamides through the direct hydrazinosulfonylation of aryl electrophiles with SO2 and hydrazines, with special attention paid to the mechanistic features of the reactions. It can be used as a guide for chemists to apply the best hydrazinosulfonylation conditions in their work or serve as inspiration for future research related to the topic.

Aryl fluorosulfates: powerful and versatile partners in cross-coupling reactions.

Aryl fluorosulfates are versatile building blocks in organic synthesis and have gained increasing attention in SuFEx (Sulfur Fluoride Exchange) click chemistry. They are easily and conveniently prepared from phenols using sulfuryl fluoride SO2F2 as a low-cost sulfonyl fluoride provider. Recently, they served as less toxic and more atom economical alternatives to triflates in an impressive number of carbon-carbon and carbon-heteroatom cross-coupling reactions. In this review, we summarize the current advances and developments in applying aryl fluorosulfates as electrophilic partners in cross-coupling reactions.

Dispersive solid phase microextraction based on magnesium oxide nanoparticles for preconcentration of auramine O and methylene blue from water samples.

In this study, we investigated the process of preconcentrate and determine trace amounts of Auramine O (AO) and methylene blue (MB) dyes in environmental water samples. For this purpose, the ultrasound-assisted dispersive-magnetic nanocomposites-solid-phase microextraction (UA-DMNSPME) method was performed to extract AO and MB from aqueous samples by applying magnesium oxide nanoparticles (MgO-NPs). The proposed technique is low-cost, facile, fast, and compatible with many existing instrumental methods. Parameters affecting the extraction of AO and MB were optimized using response surface methodology (RSM). Short extraction time, low experimental tests, low consumption of organic solvent, low limits of detection (LOD), and high preconcentration factor (PF) was the advantages of method. The PF was 44.5, and LOD for AO and MB was 0.33 ng mL-1 and 1.66 ng mL-1, respectively. The linear range of this method for AO and MB were 1-1000 ng mL-1 and 5-2000 ng mL-1, respectively. In addition, the relative standard deviation (RSD; n = 5) of the mentioned analytes was between 2.9% and 3.1%. The adsorption-desorption studies showed that the efficiency of adsorbent extraction had not declined significantly up to 6 recycling runs, and the adsorbent could be used several times. The interference studies revealed that the presence of different ions did not interfere substantially with the extraction and determination of AO and MB. Therefore, UA-DMNSPME-UV/Vis method can be proposed as an efficient method for preconcentration and extraction of AO and MB from water and wastewater samples.