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This study aims to investigate the potential of the decorated boron nitride nanocage (BNNc) with transition metals for capturing carbon monoxide (CO) as a toxic gas in the air.

BNNc was modeled in the presence of doping atoms of titanium (Ti), vanadium (V), chromium (Cr), cobalt (Co), copper (Cu) and zinc (Zn) which can increase the gas sensing ability of BNNc. In this research, the calculations have been accomplished by CAM–B3LYP–D3/EPR–3, LANL2DZ level of theory. The trapping of CO molecules by (Ti, V, Cr, Co, Cu, Zn)–BNNc has been successfully incorporated because of binding formation consisting of C → Ti, C → V, C → Cr, C → Co, C → Cu, C → Zn.

Nuclear quadrupole resonance data has indicated that Cu-doped or Co-doped on pristine BNNc has high fluctuations between Bader charge versus electric potential, which can be appropriate options with the highest tendency for electron accepting in the gas adsorption process. Furthermore, nuclear magnetic resonance spectroscopy has explored that the yield of electron accepting for doping atoms on the (Ti, V, Cr, Co, Cu, Zn)–BNNc in CO molecules adsorption can be ordered as follows: Cu > Co >> Cr > Zn ˜ V> Ti that exhibits the strength of the covalent bond between Ti, V, Cr, Co, Cu, Zn and CO. In fact, the adsorption of CO gas molecules can introduce spin polarization on the (Ti, V, Cr, Co, Cu, Zn)–BNNc which specifies that these surfaces may be used as magnetic-scavenging surface as a gas detector. Gibbs free energy based on IR spectroscopy for adsorption of CO molecules adsorption on the (Ti, V, Cr, Co, Cu, Zn)–BNNc have exhibited that for a given number of carbon donor sites in CO, the stabilities of complexes owing to doping atoms of Ti, V, Cr, Co, Cu, Zn can be considered as: CO →Cu–BNNc >> CO → Co–BNNc > CO → Cr–BNNc > CO → V–BNNc > CO → Zn–BNNc > CO → Ti–BNNc.

This study by using materials modeling approaches and decorating of nanomaterials with transition metals is supposed to introduce new efficient nanosensors in applications for selective sensing of carbon monoxide.

Bisphosphonate (BP) medications can be applied to prohibit the damage of bone density and the remedy of bone illnesses such as osteoporosis. As the metal chelating of phosphonate groups are nearby large with six O atoms possessing the high negative charge, these compounds are active toward producing the chelated complexes through drug design method. BP agents have attracted much attention for the clinical treatment of some skeletal diseases depicted by enhancing of osteoclast-mediated bone resorption.

In this work, it has been accomplished the CAM-B3LYP/6–311+G(d, p)/LANL2DZ to estimate the susceptibility of SWCNT for adsorbing alendronate, ibandronate, neridronate and pamidronate chelated to two metal cations of 2Mg²⁺, 2Ca²⁺, 2Sr²⁺ through nuclear magnetic resonance and thermodynamic parameters. Therefore, the data has explained that the feasibility of using SWCNT and BP agents becomes the norm in metal chelating of drug delivery system which has been selected through alendronate → 2X, ibandronate → 2X, neridronate → 2X and pamidronate → 2X (X = Mg²⁺/Ca²⁺/Sr²⁺) complexes.

The thermodynamic results have exhibited that the substitution of 2Ca²⁺ cation by 2Sr²⁺ cation in the structure of bioactive glasses can be efficient for treating vertebral complex fractures. However, it has been observed the most fluctuation in the Gibbs free energy for BPs → 2Sr²⁺ at 300 K. Furthermore, Monte Carlo simulation has resulted by increasing the dielectric constant in the aqueous medium can enhance the stability and efficiency of BP drugs for preventing the loss of bone density and treating the osteoporosis.

According to this research, by incorporation of chelated 2Mg²⁺, 2Ca²⁺ and 2Sr²⁺ cations to BP drugs adsorbed onto (5, 5) armchair SWCNT, the network compaction would increase owing to the larger atomic radius of Sr²⁺ cation rather than Ca²⁺ and Mg²⁺, respectively.

The purpose of this paper is to investigate the ability of transition metals (TMs) of iron-, nickel- and zinc-doped graphene nanosheet for adsorption of toxic gas of nitric oxide (NO). The results of this paper have provided a favorable understanding of the interaction between TM-doped graphene nanosheet and NO molecule.

A high performance of TM-doped graphene nanosheet as a gas sensor is demonstrated by modeling the material’s transport characteristics by means of the Langmuir adsorption and three-layered ONIOM/ density functional theory method. The Langmuir adsorption model has been done with a three-layered ONIOM using CAM-B3LYP functional and LANL2DZ and 6–311G (d, p) basis sets by Gaussian 16 revision C.01 program towards the formation of of NO→TM(Mn, Co, Cu)-doped on the Gr nanosheet.

The changes of charge density for Langmuir adsorption of NO on Mn-, Co- and Cu-doped graphene nanosheet orderly have been achieved as: ΔQ_Co-doped = +0.309 >> ΔQ_Mn-doped = −0.074 > ΔQ_Cu-doped = −0.051. Therefore, the number of changes of charge density have concluded a more remarkable charge transfer for Mn-doped graphene nanosheet. However, based on nuclear magnetic resonance spectroscopy, the sharp peaks around Cu doped on the surface of graphene nanosheet and C19 close to junction of N2 and Co17 have been observed. In addition, Cu-doped graphene sheet has a large effect on bond orbitals of C8–Cu 17, C15–Cu 17 and C16–Cu17 in the adsorption of NO on the Cu-doped/Gr which has shown the maximum occupancy. The amounts of ΔGads,NO→Mn−Co through IR computations based on polarizability have exhibited that ΔGads,NO→Mn−Co has indicated the most energy gap because of charge density transfer from the nitrogen atom in NO to Mn-doped graphene nanosheet, though ΔG(NO→Cu−C)0> ΔG(NO→Co−C)0>ΔG(NO→Mn−C)0.

This research aims to explore the adsorption of hazardous pollutant gas of “NO” by using carbon nanostructure doped by “TM” of iron, nickel and zinc to evaluate the effectiveness of adsorption parameters of various TM-doped graphene nanosheets.

Early prediction of any type of cancer is important for the treatment of this type of disease, therefore, our target to evaluate whether monitoring early changes in plasma human epidermal growth factor receptor 2 (HER2) levels (using EIS), could help in the treatment of breast cancer or not? Human epidermal growth factor receptor 2 (HER2) overexpression is an important biomarker for treatment selection in earlier stages of cancers. The combined detection of the HER2 gene in plasma for blood cancer provides an important reference index for the prognosis of metastasis to other tissues. For this purpose, the authors fabricated and characterized a model wireless biosensor-based electrochemical impedance spectroscopy (EIS) for detecting HER2 plasma as therapeutics.

Most sensors generally are fabricated based on a connection between component of the sensors and the external circuits through wires. Although these types of sensors provide suitable sensitivities and also quick responses, the connection wires can be limited to the sensing ability in various devices approximately. Therefore, the authors designed a wireless sensor, which can provide the advantages of in vivo sensing and also long-distance sensing, quickly.

The biosensor structure was designed for detection of HER2, HER3 and HER-4 from lab-on-chip approach with six units of screen-printed electrode (SPE), which is built of an electrochemical device of gold/silver, silver/silver or carbon electrodes. The results exhibited that the biosensor is completely selective at low concentrations of the plasma and HER2 detection via the standard addition approach has a linearity plot, therefore, by using this type of biosensors HER2 in plasma can be detected.

This is then followed by detecting HER2 in real plasma using standard way which proved to have great linearity (R² = 0.991) proving that this technique can be used to detect HER2 solution in real patients.

Recently, powerful instruments for biomedical engineering research studies, including disease modeling, drug designing and nano-drug delivering, have been extremely investigated by researchers. Particularly, investigation in various microfluidics techniques and novel biomedical approaches for microfluidic-based substrate have progressed in recent years, and therefore, various cell culture platforms have been manufactured for these types of approaches. These microinstruments, known as tissue chip platforms, mimic in vivo living tissue and exhibit more physiologically similar vitro models of human tissues. Using lab-on-a-chip technologies in vitro cell culturing quickly caused in optimized systems of tissues compared to static culture. These chipsets prepare cell culture media to mimic physiological reactions and behaviors.

The authors used the application of lab chip instruments as a versatile tool for point of health-care (PHC) applications, and the authors applied a current progress in various platforms toward biochip DNA sensors as an alternative to the general bio electrochemical sensors. Basically, optical sensing is related to the intercalation between glass surfaces containing biomolecules with fluorescence and, subsequently, its reflected light that arises from the characteristics of the chemical agents. Recently, various techniques using optical fiber have progressed significantly, and researchers apply highlighted remarks and future perspectives of these kinds of platforms for PHC applications.

The authors assembled several microfluidic chips through cell culture and immune-fluorescent, as well as using microscopy measurement and image analysis for RNA sequencing. By this work, several chip assemblies were fabricated, and the application of the fluidic routing mechanism enables us to provide chip-to-chip communication with a variety of tissue-on-a-chip. By lab-on-a-chip techniques, the authors exhibited that coating the cell membrane via poly-dopamine and collagen was the best cell membrane coating due to the monolayer growth and differentiation of the cell types during the differentiation period. The authors found the artificial membrane, through coating with Collagen-A, has improved the growth of mouse podocytes cells-5 compared with the fibronectin-coated membrane.

The authors could distinguish the differences across the patient cohort when they used a collagen-coated microfluidic chip. For instance, von Willebrand factor, a blood glycoprotein that promotes hemostasis, can be identified and measured through these type-coated microfluidic chips.

Piperidine side chain-functionalized N, N′-bissalicylidene phenylene di amine di-anion (salphen) consisting of salphen-Zn and salphen-Cu are able to intercalate with nucleic base stacking of DNA and can be applied as an optical DNA hybridization detector. Attaching DNA and salphen to glass surfaces has been done via coating the surface with the silane coupling agents containing 3-aminopropyltriethoxysilane that was synthesized for acting as a high-affinity RNA carrier matrix. The Schiff base salphen-zinc (II) and salphen-Cu (II) complexes-labelled probe to target nucleic acid renders a colour change of the DNA biosensor to a green and red background colour for zinc and copper, respectively. This study aims to indicate that the DNA biosensor data with high efficiency is used for detection of dengue virus serotypes 2 (DENV-2) and Chikungunya virus (CHIKV) concentration via salphen-Zn (II) and salphen-Cu (II), respectively, in human samples.

¹H-NMR and ¹³C-NMR have been used via PerkinElmer LAMBDA 35 instrument. The authors also used a double beam spectrophotometer with (CH₃)4Si (TMS) as reference and dimethyl sulfoxide as solvent reference in pH = 7.0. Various DNA concentrations have been used for UV spectrophotometry at 300 nm and 400 nm for zinc and copper complexes, respectively. BRUKER mass spectra with DIONEX Ultimate 3000 LC model were used for all measurements. Mettler Teledo model (DSC882e) of differential scanning calorimeter (DSC) was used for measure the melting temperature of metal zinc and copper complexes. The morphology of the silica Nano spheres (SiNs) were scanned by FESEM with Model JSM-6700F from Japan.

The Cu (II) and Zn (II)-salphen-viruses DNA system for CHIKV and DENV-2, respectively, in different concentration have been investigated via various spectroscopies (Figure 3). CHIKV and DENV-2 DNA were selected from human saliva and urine samples as models for conformations of human G4-DNA. By increasing the amounts of DNAs, and G4, the UV–Vis bands of located above 300 nm, experienced a hypochromic effect. The Cu2+ complex exhibits selectivity towards the G4, and there is a similar affinity for Zn²⁺ complex binds to the G4. These results collectively suggest that the Cu²⁺ complex is stronger than the Zn2+ complex. The authors have found copper (II) and zinc (II) compounds and nucleic acid-complexes are strongly fluorescent molecules in the low energy range, from the visible to the near-infrared. Since the fluorescent emission of Zn (II) and Cu (II) complexes are enhanced by the binding to nucleic acids upon visible light exposure when bound to DNA. These complexes are important as selective fluorescent probes for nucleic acids and to highlight their potential application. UV–vis spectroscopy is an accurate for finding the extent of ligand interaction with DNA and metallic complexes–DNA binding. Generally, the binding of intercalative compounds to DNA can be characterized through absorption spectral titrations, where lowering in absorbance (hypochromism) and shift to longer wavelengths (red shift) were observed in this work.

The serum samples have been provided as citrate and collected in tubes after blood is allowed to clot. Then, it has been separated by centrifugation, and the authors have kept serum refrigerated at 4°C or frozen at –20°C. It is notable; specimens have been confirmed by Centres for Disease Control (CDC)-Dengue Branch previously. For the work, these samples have been frozen previously, and the diagnostic practiced tests at the CDC-Dengue Branch have been validated in serum and plasma. Therefore, plasma separated in lavender or heparins are suitable and acceptable for serology testing.