Catalytic chemistry of chloro- and chlorofluorocarbon dehalogenation: from macroscopic observations to molecular level understanding

Kovalchuk, Vladimir I.; d’Itri, Julie L.

doi:10.1016/j.apcata.2004.02.042

Cited by 95 publications

(66 citation statements)

References 109 publications

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“…It is well known that precious metals are active catalysts for the hydrogenolysis of the carbon-chlorine bond [8,9]. Among them, palladium has been reported to be a very good option because of its high activity and selectivity to nonchlorinated products [21,25,26].…”

Section: Introductionmentioning

confidence: 99%

“…Although HDC of CMs has been investigated to a lesser extent than HDC of other organochlorine compounds, several publications have appeared in recent years including a number reporting on the deep gas-phase HDC of CMs over different supported metal catalysts [4,5,[8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. It is well known that precious metals are active catalysts for the hydrogenolysis of the carbon-chlorine bond [8,9].…”

Section: Introductionmentioning

confidence: 99%

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Deactivation behavior of Pd/C and Pt/C catalysts in the gas-phase hydrodechlorination of chloromethanes: Structure–reactivity relationship

Martin-Martinez

Álvarez-Montero

Gómez-Sainero

et al. 2015

Applied Catalysis B: Environmental

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Deactivation behavior of Pd/C and Pt/C catalysts in the gas-phase hydrodechlorination of chloromethanes: Structure–reactivity relationship

Martin-Martinez

Álvarez-Montero

Gómez-Sainero

et al. 2015

Applied Catalysis B: Environmental

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“…Direct spectroscopic evidence of dissociative adsorption of CFCs on Pd catalysts was obtained by Borovkov et al, who carried out a FTIR investigation of CF 3 CFCl 2 adsorption on 5% Pd/Al 2 O 3 at room temperature [101,115]. Figure 3 shows a typical FT-IR spectrum of a Pd/Al 2 O 3 catalyst exposed to gaseous CF 3 CFCl 2 at room temperature.…”

Section: Reaction Chemistrymentioning

confidence: 96%

A review of CFC and halon treatment technologies – The nature and role of catalysts

Kennedy

Adesina

et al. 2006

Catal Surv Asia

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The purpose of this review article is to provide readers with an account of CFC and halon treatment technologies as depicted in the patent and open literature. Destruction technologies, in which halons and CFCs are converted into species such as CO 2 , HX or X 2 (X = Br, Cl, F), are treated less extensively. Emphasis has been placed on conversion processes, which aim at transforming (rather than destroying) CFC or halon into environmentally benign and useful products. It has been found that catalytic hydrodehalogenation over transition metal based catalysts, Pd in particular, has great potential for conversion of CFCs and halons to hydrofluorocarbons. In this regard, the focus of this review is on catalytic hydrodehalogenation, including an assessment of reaction mechanisms, catalytic activity, selectivity and durability.

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“…Total is for the total number of residues present in the protein. Similarly, in (2), N Buri indicates, number of residue i , that are buried in the core region. T Buri indicates the total number of specific residues that are buried.…”

Section: Calculation Of Core and Surface Residues And Propensitiesmentioning

confidence: 99%

“…Microbial dehalogenases are unique enzymes produced by a microbe that dehalogenates halogenated substances (toxic) by breaking the CCl bonds, thus, making a biotechnologically important enzyme group (Arand et al, 1994; Kovalchuk & d'Itri, 2004). In general, these enzymes are classified as hydrolases along with other hydrolytic enzymes that catalyse hydrolytic bond cleavage for C-N, C-P, C-O bonds (Koonin & Tatusov, 1994).…”

Section: Introductionmentioning

confidence: 99%

Propensity based classification: Dehalogenase and non-dehalogenase enzymes

Satpathy

Konkimalla

Ratha

2015

JAIDM

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The present work was designed to classify and differentiate between the dehalogenase enzyme and nondehalogenases (other hydrolases) by taking the amino acid propensity at the core, surface and both the parts. The data sets were made on an individual basis by selecting the 3D structures of protein available in the PDB (Protein Data Bank). The prediction of the core amino acids were predicted by IPFP tool and their structural propensity calculation was performed by an in-house built software, Propensity Calculator which is available online. All datasets were finally grouped into two categories, namely dehalogenase and non-dehalogenase using Naïve Bayes, J-48, Random forest, K-means clustering, and SMO classification algorithm. By making the comparison of various classification methods, the proposed tree method (Random forest) performs well with a classification accuracy of 98.88 % (maximum) for the core propensity data set. Therefore, we proposed that, the core amino acid propensity could be approved as a novel potential descriptor for the classification of enzymes.

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Catalytic chemistry of chloro- and chlorofluorocarbon dehalogenation: from macroscopic observations to molecular level understanding

Cited by 95 publications

References 109 publications

Deactivation behavior of Pd/C and Pt/C catalysts in the gas-phase hydrodechlorination of chloromethanes: Structure–reactivity relationship

Deactivation behavior of Pd/C and Pt/C catalysts in the gas-phase hydrodechlorination of chloromethanes: Structure–reactivity relationship

A review of CFC and halon treatment technologies – The nature and role of catalysts

Propensity based classification: Dehalogenase and non-dehalogenase enzymes

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