The adsorption of several common gas molecules over boron-, nitrogen-, aluminum-, and sulfur-doped graphene was theoretically studied using density-functional theory. Band N-doped graphene retain a planar form, while Al and S atoms protrude out of the graphene layer. We find that only NO and NO 2 bind to B-doped graphene, while only NO 2 binds to S-doped graphene. Al-doped graphene is much more reactive and binds many more gases, including O 2. We suggest that Band S-doped graphene could be a good sensor for polluting gases such as NO and NO 2 .

Comprehensive profiling of humoral antibody response to severe acute respiratory syndrome (SARS) coronavirus-2 (CoV-2) proteins is essential in understanding the host immunity and in developing diagnostic tests and vaccines. To address this concern, we developed a SARS-CoV-2 proteome peptide microarray to analyze antibody interactions at the amino acid resolution. With the array, we demonstrate the feasibility of employing SARS-CoV-1 antibodies to detect the SARS-CoV-2 nucleocapsid phosphoprotein. The first landscape of B-cell epitopes for SARS-CoV-2 IgM and IgG antibodies in the serum of 10 coronavirus disease of 2019 (COVID-19) patients with early infection is also constructed. With array data and structural analysis, a peptide epitope for neutralizing antibodies within the SARS-CoV-2 spike receptor-binding domain’s interaction interface with the angiotensin-converting enzyme 2 receptor was predicted. All the results demonstrate the utility of our microarray as a platform to determine the changes of antibody responses in COVID-19 patients and animal models as well as to identify potential targets for diagnosis and treatment.

Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr-and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the possibility of using doped graphene for gas sensors, electronic and spintronic devices. O2 is physisorbed on B-, and Ndoped graphene with small adsorption energy and long distance from the graphene plane, indicating the oxidation will not happen; chemisorption is observed on Al-, Si-, P-, Cr-and Mn-doped graphene. The local curvature caused by the large bond length of X-C (X represents the dopants) relative to C-C bond plays a very important role in this chemisorption. The chemisorption of O2 induces dramatic changes of electronic structures and localized spin polarization of doped graphene, and in particular, chemisorption of O2 on Cr-doped graphene is antiferromagnetic. The analysis of electronic density of states shows the contribution of the hybridization between O and dopants is mainly from the p or d orbitals. Furthermore, spin density shows that the magnetization locates mainly around the doped atoms, which may be responsible for the Kondo effect. These special properties supply a good choice to control the electronic properties and spin polarization in the field of graphene engineering.

COVID-19 has quickly become a worldwide pandemic, which has significantly impacted the economy, education, and social interactions. Understanding the humoral antibody response to SARS-CoV-2 proteins may help identify was not certified by peer review)

The adsorption of gas molecules on P-doped graphene (PG) was theoretically studied using density-functional theory in order to find the possibility of modulating electronic and magnetic ordering of graphene. H₂, H₂O, CO₂, CO, N₂ and NH₃ molecules are physisorbed, while NO, NO₂, SO₂ and O₂ molecules are strongly chemisorbed on PG through the formation of P-X (X = O, N, S) bonds. P dopant introduces global spin polarization into graphene with order of 1.05 μ(B). Chemisorption of NO₂ and SO₂ makes the spin polarization and projected density of states (PDOS) of molecules localized. NO also induces a partly localized spin state and O₂ an unpolarized system. Meanwhile, the systems of NO₂ and O₂ on PG are metallic, while NO and SO(2) on PG are half-metallic. Therefore, the properties of PG are strongly dependent on the types of molecules adsorbed, and the method of combining foreign atom doping followed by exposure to air is effective for the engineering of graphene.