A DFT study on an alkali atom doped decahedral silver nanocluster for potential application in opto-electronics and catalysis

A systematic study of the structural, electronic and optical properties of the decahedral bimetallic Ag12X cluster is presented in the framework of density functional theory (DFT), where one atom of an alkali metal (X = Li, Na, K, Rb, Cs, Fr) is added, replacing a Ag atom in the decahedral Ag13 cluster in core (c-doped), vertex (v-doped) and surface (s-doped) positions. Geometrical optimization of the clusters indicated that Li and Na doped clusters exhibited the highest stability. The binding energy (BE), vertical ionization potential (VIP), vertical electron affinity (VEA) and HOMO–LUMO gaps were calculated to compare the electronic stability and chemical inertness of the doped clusters. In addition, the VIP and VEA values of the doped clusters revealed that the doped clusters exhibited more electronic and chemical reactivity than the undoped Ag13. Through optical spectra analysis, it is revealed that Ag12Na and Ag12Li clusters exhibited higher oscillation strength, whilst the s-doped Ag12Li exhibited 3 times higher oscillation strength with respect to undoped Ag13. In addition, a partial density of states (PDOS) calculation indicated that the red or blue shifting of the d-electrons are potentially responsible for this red and blue shifting of the optical peaks of the doped Ag12X clusters. Finally, these Ag12X clusters have promising electronic and optical properties; in particular, the Ag12Li dimer is a highly stable cluster with excellent optical absorption spectra. Thus, a neutral Ag12Li cluster might find good application in opto-electronics and its anion might be highly reactive and thus, can be a very good potential candidate for catalysis

Accreditation of engineering programs: an evaluation of current practices in Malaysia

The curriculum for undergraduate engineering courses in Malaysia is becoming increasingly structured, following the global trend for quality assurance in engineering education, through accreditation schemes. Generally, the accreditation criteria call for the graduates from engineering programs to demonstrate a range of skills, from technical problem solving to soft skills and an aptitude for lifelong learning. In order to comply with these criteria, accreditation schemes are adopted as a quality assurance measure. This paper shall introduce the characteristics of the engineering accreditation scheme in Malaysia. The impact of the accreditation scheme on the quality of these engineering programs shall be evaluated. Data collection is in the form of benchmarking and questionnaires. The evaluation criteria shall be in terms of benefits to the institution, academic faculty, students, and the challenges encountered. A discussion on the evaluation shall include the supposed dichotomies which arise from this accreditation process, namely the compromise between research versus teaching; and the value of engineering knowledge whether as an academic pursuit or catering to industry's needs. Ultimately, this paper shall address a fundamental question related to undergraduate teaching in engineering: whether accreditation is a necessary prerequisite in maintaining high standards in engineering programs in Malaysia

Optimization of Thermal Conductivity of NanoPCM-Based Graphene by Response Surface Methodology

Common phase change materials (PCMs) possess very low thermal conductivity whilst hybrid PCM with graphene filler could be produced to achieve increased thermal conductivity. This research focuses on the effects of graphene flakes on the thermal conductivity of a PCM (paraffin wax). Three experimental parameters at different levels of average lateral sizes of graphene flakes (4.5, 5 and 7µm), mass fractions (0.1, 0.2 and 0.25 wt.%), and rising temperatures (25-75°C) are considered. For the first time in the literature, the impact of various parameters on the thermal conductivity performance of the nanoPCM-based graphene nano-composites is investigated extensively by adopting response surface methodology supported by central composite design. Thermal conductivity prediction is proposed by a new general correlation and a promising value of the coefficient of determination (R2) higher than 0.88. Amongst the investigated various variables in terms of impact on thermal conductivity, the temperature is identified as the most influential parameter on response variables. According to the implemented optimization technique, for the composite with the average graphene flake size of 4.5 µm, the optimum value of the thermal conductivity is found 0.275 W/m K at the mass fraction of 0.186 wt.% and temperature of 69.73°C

Association of Cerebral Amyloid-β Aggregation With Cognitive Functioning in Persons Without Dementia.

Cerebral amyloid-β aggregation is an early event in Alzheimer disease (AD). Understanding the association between amyloid aggregation and cognitive manifestation in persons without dementia is important for a better understanding of the course of AD and for the design of prevention trials. To investigate whether amyloid-β aggregation is associated with cognitive functioning in persons without dementia. This cross-sectional study included 2908 participants with normal cognition and 4133 with mild cognitive impairment (MCI) from 53 studies in the multicenter Amyloid Biomarker Study. Normal cognition was defined as having no cognitive concerns for which medical help was sought and scores within the normal range on cognitive tests. Mild cognitive impairment was diagnosed according to published criteria. Study inclusion began in 2013 and is ongoing. Data analysis was performed in January 2017. Global cognitive performance as assessed by the Mini-Mental State Examination (MMSE) and episodic memory performance as assessed by a verbal word learning test. Amyloid aggregation was measured with positron emission tomography or cerebrospinal fluid biomarkers and dichotomized as negative (normal) or positive (abnormal) according to study-specific cutoffs. Generalized estimating equations were used to examine the association between amyloid aggregation and low cognitive scores (MMSE score ≤27 or memory z score≤-1.28) and to assess whether this association was moderated by age, sex, educational level, or apolipoprotein E genotype. Among 2908 persons with normal cognition (mean [SD] age, 67.4 [12.8] years), amyloid positivity was associated with low memory scores after age 70 years (mean difference in amyloid positive vs negative, 4% [95% CI, 0%-7%] at 72 years and 21% [95% CI, 10%-33%] at 90 years) but was not associated with low MMSE scores (mean difference, 3% [95% CI, -1% to 6%], P = .16). Among 4133 patients with MCI (mean [SD] age, 70.2 [8.5] years), amyloid positivity was associated with low memory (mean difference, 16% [95% CI, 12%-20%], P < .001) and low MMSE (mean difference, 14% [95% CI, 12%-17%], P < .001) scores, and this association decreased with age. Low cognitive scores had limited utility for screening of amyloid positivity in persons with normal cognition and those with MCI. In persons with normal cognition, the age-related increase in low memory score paralleled the age-related increase in amyloid positivity with an intervening period of 10 to 15 years. Although low memory scores are an early marker of amyloid positivity, their value as a screening measure for early AD among persons without dementia is limited

Association of cerebral amyloid-β Aggregation with cognitive functioning in persons without dementia

IMPORTANCE Cerebral amyloid-β aggregation is an early event in Alzheimer disease (AD). Understanding the association between amyloid aggregation and cognitive manifestation in persons without dementia is important for a better understanding of the course of AD and for the design of prevention trials. OBJECTIVE To investigate whether amyloid-β aggregation is associated with cognitive functioning in persons without dementia. DESIGN, SETTING, AND PARTICIPANTS This cross-sectional study included 2908 participants with normal cognition and 4133 with mild cognitive impairment (MCI) from 53 studies in the multicenter Amyloid Biomarker Study. Normal cognition was defined as having no cognitive concerns for which medical help was sought and scores within the normal range on cognitive tests. Mild cognitive impairment was diagnosed according to published criteria. Study inclusion began in 2013 and is ongoing. Data analysis was performed in January 2017. MAIN OUTCOMES AND MEASURES Global cognitive performance as assessed by the Mini-Mental State Examination (MMSE) and episodic memory performance as assessed by a verbal word learning test. Amyloid aggregation was measured with positron emission tomography or cerebrospinal fluid biomarkers and dichotomized as negative (normal) or positive (abnormal) according to study-specific cutoffs. Generalized estimating equations were used to examine the association between amyloid aggregation and low cognitive scores (MMSE score≤27 or memory z score≤-1.28) and to assess whether this association was moderated by age, sex, educational level, or apolipoprotein E genotype. RESULTS Among 2908 persons with normal cognition (mean [SD] age, 67.4 [12.8] years), amyloid positivity was associated with low memory scores after age 70 years (mean difference in amyloid positive vs negative, 4%[95%CI, 0%-7%] at 72 years and 21% [95%CI, 10%-33%] at 90 years) but was not associated with low MMSE scores (mean difference, 3%[95%CI, -1%to 6%], P = .16). Among 4133 patients with MCI (mean [SD] age, 70.2 [8.5] years), amyloid positivity was associated with low memory (mean difference, 16%[95%CI, 12%-20%], P < .001) and low MMSE (mean difference, 14%[95%CI, 12%-17%], P < .001) scores, and this association decreased with age. Low cognitive scores had limited utility for screening of amyloid positivity in persons with normal cognition and those with MCI. In persons with normal cognition, the age-related increase in low memory score paralleled the age-related increase in amyloid positivity with an intervening period of 10 to 15 years. CONCLUSIONS AND RELEVANCE Although low memory scores are an early marker of amyloid positivity, their value as a screening measure for early AD among persons without dementia is limited