Molecular adsorption study of nicotine and caffeine on single-walled carbon nanotubes from first principles

Lee, Hyung-June; Kim, Gunn; Kwon, Young–Kyun

doi:10.1016/j.cplett.2013.06.033

Cited by 24 publications

(6 citation statements)

References 47 publications

(49 reference statements)

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“…The lower the values of charge migration and the bigger the values of bond gap indicate that the ARS dye interacts weakly with the SWCNTs, regardless of its diameter. The bond distances were in a similar range when compared to several studies previously reported in the literature. − However, it was noteworthy that the value of binding energy increased as the diameter increased, revealing that there is a more effective interaction between ARS dye–SWCNT for larger diameter nanotubes. An increase in binding energy as SWCNT diameter becomes larger could be related to the increase of π–π interaction between the anthraquinone group of ARS dye and the sidewall of the nanotubes.…”

Section: Results and Discussionsupporting

confidence: 83%

Adsorption of Alizarin Red S Dye by Carbon Nanotubes: An Experimental and Theoretical Investigation

et al. 2016

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This study evaluated the feasibility of removing Alizarin Red S dye (ARS) from aqueous solutions, using nanoadsorbents such as single and multiwalled carbon nanotubes (SWCNT and MWCNT, respectively). The effect of pH, shaking time, and temperature on adsorption was studied. The pH 2.0 was observed to show optimum removal for both of the carbon nanotubes. The equilibrium time (298−318 K) was fixed at 65 and 100 min for SWCNT and MWCNT, respectively. The kinetics of adsorption was calculated using pseudo-first-order, pseudo-second-order, and general-order equations. The calculations revealed that the general-order kinetic equation best-fit the adsorption data. The Liu isotherm model best fit the equilibrium data (298−318 K). The maximum sorption capacity at 318 K for ARS dye was 312.5 and 135.2 mg g −1 for SWCNT and MWCNT, respectively. Change in entropy (ΔS°), Gibb's free energy change (ΔG°), and enthalpy (ΔH°) were calculated for the adsorption of ARS dye. The electrostatic interaction between nanoadsorbent−adsorbate was conveyed using the magnitude of change in enthalpy. Ab initio simulation was used to study the interaction of ARS with (5,5) and (8,0) SWCNTs, and (16,0) and (25,0) SWCNTs with and without vacancy. The theoretical calculations showed that the binding energies between ARS dye and SWCNTs are enhanced as the nanotube diameter gets bigger; however, the distance of binding remains unchanged. Therefore, the results from first principle calculations indicated that electrostatic interaction may be responsible for the adsorption of ARS dye onto SWCNT. The theoretical outcomes were found to be in coordination with the experimental estimates.

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Section: Results and Discussionsupporting

confidence: 83%

Adsorption of Alizarin Red S Dye by Carbon Nanotubes: An Experimental and Theoretical Investigation

et al. 2016

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“…Nicotine is inhaled via cigarettes, while caffeine gets in the body by drinking coffee and soft drinks. These drugs do possess certain positive effects, like increased levels of acetylcholine in the brain [9], along with negative effects like increased BP, rapid breathing, heart palpitations, and insomnia in view of extended periods under their influence [10].…”

Section: Role Of Air Pollution Along With Nicotine and Caffeinementioning

confidence: 99%

An Update on Sudden Unexpected Infant Deaths - A Systematic Review on Aetiology, Reporting, Pathology and Medico Legal Aspects

Kaur¹,

Allahbadia²,

Singh³

2019

Act Scie Paedia

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SIDS (sudden infant death syndrome) is the leading cause of postneonatal infant mortality in the United States today, with an overall ratio of 0.39/1000 live births. It is defined as the sudden and unexpected death of an infant <12mth of age that remains unexplained after a complete autopsy, death scene investigation, and review of the clinical history. Despite significant decreases in incidence since the introduction of safe infant sleeping recommendations sudden infant death syndrome (SIDS) is still the major cause of neonatal death in western countries. Here we conducted a systematic review to find the aetiology of SIDS. Out of 11812 articles in pubmed search engine we selected 44 articles for this review. No meta-analysis was done. Various aetiological factors identified along with what are the methods that need to be adopted to reduce its occurrence are presented like the serotonin brain hypothesis, breastfeeding and sleeping position, air pollution with maternal consumption of caffeine and nicotine, leptomeningeal inflammation and iron, avoiding circumcision in prematurity, cardiac ion changes etc. are reviewed along with importance of forensic medicine to be able to find out the proper cause of the unexpected deaths in infancy. Despite significant decreases in incidence since the introduction of safe infant sleeping recommendations sudden infant death syndrome (SIDS) is still the major cause of neonatal death in western countries. In the US, over 2500 infants die suddenly and unexpectedly each year with nearly 100 deaths annually in Australia. Health professionals play a key role in advicing parents how to make their infants sleep safely for minimizing the risk of sudden infant death syndrome and sleeping accidents. Infants should be placed supine to sleep in a cot with a firm well-fitting mattress in the parental bedroom with no soft or loose beddings that could We conducted a systematic review using a pubmed search engine till 2019 using the MeSH terms like "sudden infant death syndrome", "sudden unexpected deaths in infancy", "causes of SIDS'' air conditions", "sleeping positions", forensic aspect of SUDI investigation.

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“…First of all, these carbon structures are used as sorbents adsorbing various types of pollutants on their surface [32]. They are commonly used in filters removing toxic components, capturing gases, and as an element of chemical and environmental sensors used to detect compounds, such as ammonia, oxygen, alcohols, or nitrogen compounds [33,34]. Moreover, the above features determine a wide range of possible applications in photovoltaics; for example, nanomaterials were used in one of the electrodes in solar batteries [35].…”

Section: Introductionmentioning

confidence: 99%

Multiwall Carbon Nanotubes/Spherical Glassy Carbon as Environmentally Friendly Adsorption Materials Utilized in Adsorptive Stripping Voltammetry for the Determination of Trace Amounts of Ga(III)

Grabarczyk,

Fialek,

Wlazlowska

2024

Materials

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This work presents a proposal for an adsorptive stripping voltammetric (AdSV) method for gallium(III) determination at an eco-friendly multiwall carbon nanotube/spherical glassy carbon (MWCNT/SGC) electrode modified with a lead film. The operational factors influencing the sensitivity of the AdSV procedure were thoroughly investigated, and their most favorable values were chosen (0.1 mol L−1 acetate buffer solution pH = 5.6; 7 × 10−5 mol L−1 Pb(II); 2 × 10−4 mol L−1 cupferron; potential/time of lead film formation: −1.9 V/30 s; potential/time of Ga(III)–cupferron adsorption: −0.75 V/30 s). The newly developed MWCNT/SGCE has proven to be a competitive substrate to the glassy carbon electrode to create a lead film electrode, since it allows the determination of gallium in a wider range of concentrations from 3 × 10−9 to 4 × 10−7 mol L−1 with a lower limit of detection equal to 9.5 × 10−10 mol L−1. The elaborated procedure has been shown to be highly selective and insensitive to the presence of an even 100-fold excess of most of the ions commonly found in environmental waters. The MWCNT/SGC sensor, which can maintain >95% of its original response after 70 days of use, has been successfully applied for the detection of gallium in water samples with the relative standard deviation (RSD) ranging from 4.5% to 6.2% (n = 3) and recoveries in the range from 95.3% to 104.9%.

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Molecular adsorption study of nicotine and caffeine on single-walled carbon nanotubes from first principles

Cited by 24 publications

References 47 publications

Adsorption of Alizarin Red S Dye by Carbon Nanotubes: An Experimental and Theoretical Investigation

Adsorption of Alizarin Red S Dye by Carbon Nanotubes: An Experimental and Theoretical Investigation

An Update on Sudden Unexpected Infant Deaths - A Systematic Review on Aetiology, Reporting, Pathology and Medico Legal Aspects

Multiwall Carbon Nanotubes/Spherical Glassy Carbon as Environmentally Friendly Adsorption Materials Utilized in Adsorptive Stripping Voltammetry for the Determination of Trace Amounts of Ga(III)

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