Optimisation of solid-state urea clathrate formation as a chemical separation method coupled to compound-specific stable carbon isotope analysis

Novák, Martin; Kirchkeszner, Csaba; Palya, Dóra; Bodai, Zsolt; Nyíri, Zoltán; Magyar, Norbert; Kovács, József; Rikker, Tamás; Eke, Zsuzsanna

doi:10.1080/03067319.2015.1101644

Cited by 5 publications

(1 citation statement)

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“…This is a widely known multivariate classification method in which each case starts in a separate cluster and joins up to the other clusters as the linkage distance grows, until only one cluster remains [41]. This method has been successfully applied in hydrology [42][43][44][45], hydrogeology [46], geology [47][48][49][50][51], chemistry [52] and anthropology [53] to find similar and homogeneous groups of observations. The validity of the groupings was verified using linear discriminant analysis (LDA), which separates the observations with linear planes resulting in a percentage of correctly classified cases [54,55].…”

Section: Discussionmentioning

confidence: 99%

Effects of the introduction of pre-treated wastewater in a shallow lake reed stand

et al. 2016

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Reed stands may be employed in the amelioration of water quality or even in the treatment of wastewater. In this study, the nutrient concentrations of (i) the above- and below-ground Common Reed (Phragmites australis) biomass, and (ii) surface and interstitial water were analyzed in a natural stand used in wastewater treatment. The reed stand was located in Hungarian part of Lake Fertő/Neusiedler See, by the shore near Fertőrákos Bay. The nitrate, phosphate and dissolved organic nitrogen concentrations of surface water were found to be higher on the inlet side of the reed stand compared to the outlet. The N and P concentrations in the above-ground biomass and P concentrations in the below-ground biomass increased after the introduction of pre-treated wastewater. The inter-annual differences in the characteristics of sediment interstitial water and in the nutrient content of reed tissues were assessed using statistical methods. The samples taken before and after the introduction of the pre-treated wastewater in the parcel formed different clusters. The results of the study provide further evidence that the nutrient retention capacity of natural stands of P. australis may be employed in the treatment of wastewater while protecting and preserving the valuable natural assets of the lake.

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Section: Discussionmentioning

confidence: 99%

Effects of the introduction of pre-treated wastewater in a shallow lake reed stand

et al. 2016

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Diffusional behavior and guest conformational analysis of hexadecane-1,16-diol and hexadecane in urea crystal model via molecular dynamics simulation approach

et al. 2016

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Diffusion at the atomic or molecular level is a source of many physical, chemical, and biological processes taking place in plentiful materials. This work is an endeavor toward investigating the diffusional behavior of two different type of guests, hexadecane-1,16-diol and hexadecane enclathration in urea tunnel architecture, whereby the correlation of the diffusion mechanism with the guest's structural and conformational properties is explored. To carry out this study, molecular dynamics simulation approach is adopted. It is found that hexadecane-1,16-diol exhibit slower diffusion with an average diffusion coefficient value [Formula: see text], where hexadecane diffuse more rapidly with an average diffusion coefficient value [Formula: see text]. It is also observed that the structural properties influence the guest's travel distance and torsion angle distribution of the trans and gauche conformational proportion. Furthermore, the observed high energy barrier accounted for hexadecane-1,16-diol and low energy barrier for hexadecane along urea tunnel systems was analyzed. The comparison of our obtained results are in close agreement with the available experimental measurements, i.e., gauche proportion properties between two different guest molecules correlate well with Raman spectroscopy investigation on α,ω-dihalogenoalkane/urea inclusion compounds. Our calculations also successfully endorse the structure-property relation between the two systems.

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Combined cluster and discriminant analysis: An efficient chemometric approach in diesel fuel characterization

Novák

Palya

Bodai

et al. 2017

Forensic Science International

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Optimisation of solid-state urea clathrate formation as a chemical separation method coupled to compound-specific stable carbon isotope analysis

Cited by 5 publications

References 28 publications

Effects of the introduction of pre-treated wastewater in a shallow lake reed stand

Effects of the introduction of pre-treated wastewater in a shallow lake reed stand

Diffusional behavior and guest conformational analysis of hexadecane-1,16-diol and hexadecane in urea crystal model via molecular dynamics simulation approach

Combined cluster and discriminant analysis: An efficient chemometric approach in diesel fuel characterization

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