Magnetization effect of Mn-embedded in C2N on hydrogen adsorption and gas-sensing properties: Ab-initio analysis
APPLIED SURFACE SCIENCE
Authors: Mushtaq, Muhammad; Khan, Saba; Tit, Nacir
Abstract
Density functional theory (DFT) has been employed to investigate the effect of magnetic moment on the hydrogen adsorption and gas-sensing properties in Mn-embedded in C2N. Special focus was given to the effects of both magnetization and dimerization on the adsorption properties. Two distinct configurations of embedment were considered: (i) Single atom catalyst (SAC): 1Mn@C2N; and (ii) Dimer atom Catalyst (DAC): Mn-2@C2N. The results showed that the H-2 molecule to exhibit chemisorption processes on both SAC and DAC with weak molecular dissociation. The effect of chemisorption on the electronic structure is so enormous to the extent that the DOS got fragmented near Fermi level with opening of small gaps of order 0.11 eV and 0.20 eV in SAC and DAC, respectively. Such changes would be manifested in enhanced sensor responses. Based upon the huge changes in electronic and magnetic properties induced by the chemisorption and the low recovery time (i.e., tau << 1 s, tau = 92 mu s and 1.8 ms, respectively), we concluded that C2N:Mn should be an excellent candidate for (reusable) hydrogen magnetic gas sensor with high sensitivity and selectivity and rapid recovery time. Our theoretical results were corroborated with good agreement with the available data in literature.
Contributions of Molecular and Optical Techniques to the Clinical Diagnosis of Alzheimer's Disease
BRAIN SCIENCES
Authors: Bistaffa, Edoardo; Tagliavini, Fabrizio; Matteini, Paolo; Moda, Fabio
Abstract
Alzheimer's disease (AD) is the most common neurodegenerative disorder worldwide. The distinctive neuropathological feature of AD is the intracerebral accumulation of two abnormally folded proteins: beta-amyloid (A beta) in the form of extracellular plaques, and tau in the form of intracellular neurofibrillary tangles. These proteins are considered disease-specific biomarkers, and the definite diagnosis of AD relies on their post-mortem identification in the brain. The clinical diagnosis of AD is challenging, especially in the early stages. The disease is highly heterogeneous in terms of clinical presentation and neuropathological features. This phenotypic variability seems to be partially due to the presence of distinct A beta conformers, referred to as strains. With the development of an innovative technique named Real-Time Quaking-Induced Conversion (RT-QuIC), traces of A beta strains were found in the cerebrospinal fluid of AD patients. Emerging evidence suggests that different conformers may transmit their strain signature to the RT-QuIC reaction products. In this review, we describe the current challenges for the clinical diagnosis of AD and describe how the RT-QuIC products could be analyzed by a surface-enhanced Raman spectroscopy (SERS)-based systems to reveal the presence of strain signatures, eventually leading to early diagnosis of AD with the recognition of individual disease phenotype.
COA
Publication 
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