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  1. Article ; Online: Synthesis and characterization of a series of nickel(ii) alkoxide precursors and their utility for Ni(0) nanoparticle production.

    Treadwell, LaRico J / Boyle, Timothy J / Phelan, W Adam / Parkes, Marie V / Young, David P

    Dalton transactions (Cambridge, England : 2003)

    2017  Volume 46, Issue 18, Page(s) 5806–5815

    Abstract: A series of nickel(ii) aryloxide ([Ni(OAr) ...

    Abstract A series of nickel(ii) aryloxide ([Ni(OAr)
    Language English
    Publishing date 2017-05-09
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/c6dt04083g
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Ab initio molecular dynamics determination of competitive O₂ vs. N₂ adsorption at open metal sites of M₂(dobdc).

    Parkes, Marie V / Greathouse, Jeffery A / Hart, David B / Gallis, Dorina F Sava / Nenoff, Tina M

    Physical chemistry chemical physics : PCCP

    2016  Volume 18, Issue 16, Page(s) 11528–11538

    Abstract: The separation of oxygen from nitrogen using metal-organic frameworks (MOFs) is of great interest for potential pressure-swing adsorption processes for the generation of purified O2 on industrial scales. This study uses ab initio molecular dynamics (AIMD) ...

    Abstract The separation of oxygen from nitrogen using metal-organic frameworks (MOFs) is of great interest for potential pressure-swing adsorption processes for the generation of purified O2 on industrial scales. This study uses ab initio molecular dynamics (AIMD) simulations to examine for the first time the pure-gas and competitive gas adsorption of O2 and N2 in the M2(dobdc) (M = Cr, Mn, Fe) MOF series with coordinatively unsaturated metal centers. Effects of metal, temperature, and gas composition are explored. This unique application of AIMD allows us to study in detail the adsorption/desorption processes and to visualize the process of multiple guests competitively binding to coordinatively unsaturated metal sites of a MOF.
    Language English
    Publishing date 2016-04-28
    Publishing country England
    Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c6cp00768f
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Insertion of carbon dioxide into main-group complexes: formation of the [N(CO2)3]3- ligand.

    Dickie, Diane A / Parkes, Marie V / Kemp, Richard A

    Angewandte Chemie (International ed. in English)

    2008  Volume 47, Issue 51, Page(s) 9955–9957

    Language English
    Publishing date 2008
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.200804218
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology.

    Parkes, Marie V / Staiger, Chad L / Perry, John J / Allendorf, Mark D / Greathouse, Jeffery A

    Physical chemistry chemical physics : PCCP

    2013  Volume 15, Issue 23, Page(s) 9093–9106

    Abstract: The adsorption of noble gases and nitrogen by sixteen metal-organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three ... ...

    Abstract The adsorption of noble gases and nitrogen by sixteen metal-organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three commercially available MOFs (HKUST-1, AlMIL-53, and ZIF-8) and PCN-14 were also included for comparison. Experimental adsorption isotherms, obtained from volumetric and gravimetric methods, were used to compare krypton, argon, and nitrogen uptake with the simulation results. Simulated trends in gas adsorption and predicted selectivities among the commercially available MOFs are in good agreement with experiment. In the low pressure regime, the expected trend of increasing adsorption with increasing noble gas polarizabilty is seen. For each noble gas, low pressure adsorption correlates with several MOF properties, including free volume, topology, and metal center. Additionally, a strong correlation exists between the Henry's constant and the isosteric heat of adsorption for all gases and MOFs considered. Finally, we note that the simulated and experimental gas selectivities demonstrated by this small set of MOFs show improved performance compared to similar values reported for zeolites.
    MeSH term(s) Adsorption ; Air/analysis ; Computer Simulation ; Models, Chemical ; Models, Molecular ; Monte Carlo Method ; Noble Gases/isolation & purification ; Organometallic Compounds/chemistry ; Porosity
    Chemical Substances Noble Gases ; Organometallic Compounds ; bis(1,3,5-benzenetricarboxylate)tricopper(II)
    Language English
    Publishing date 2013-06-21
    Publishing country England
    Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c3cp50774b
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Reactivity of bis(2,2,5,5-tetramethyl-2,5-disila-1-azacyclopent-1-yl)tin with CO(2), OCS, and CS(2) and comparison to that of bis[bis(trimethylsilyl)amido]tin.

    Stewart, Constantine A / Dickie, Diane A / Parkes, Marie V / Saria, Josephat A / Kemp, Richard A

    Inorganic chemistry

    2010  Volume 49, Issue 23, Page(s) 11133–11141

    Abstract: The heterocumulenes carbon dioxide (CO(2)), carbonyl sulfide (OCS), and carbon disulfide (CS(2)) were treated with bis(2,2,5,5-tetramethyl-2,5-disila-1-azacyclopent-1-yl)tin {[(CH(2))Me(2)Si](2)N}(2)Sn, an analogue of the well-studied bis[bis( ... ...

    Abstract The heterocumulenes carbon dioxide (CO(2)), carbonyl sulfide (OCS), and carbon disulfide (CS(2)) were treated with bis(2,2,5,5-tetramethyl-2,5-disila-1-azacyclopent-1-yl)tin {[(CH(2))Me(2)Si](2)N}(2)Sn, an analogue of the well-studied bis[bis(trimethylsilyl)amido]tin species [(Me(3)Si)(2)N](2)Sn, to yield an unexpectedly diverse product slate. Reaction of {[(CH(2))Me(2)Si](2)N}(2)Sn with CO(2) resulted in the formation of 2,2,5,5-tetramethyl-2,5-disila-1-oxacyclopentane, along with Sn(4)(μ(4)-O){μ(2)-O(2)CN[SiMe(2)(CH(2))(2)]}(4)(μ(2)-N═C═O)(2) as the primary organometallic Sn-containing product. The reaction of {[(CH(2))Me(2)Si](2)N}(2)Sn with CS(2) led to formal reduction of CS(2) to [CS(2)](2-), yielding [{[(CH(2))Me(2)Si](2)N}(2)Sn](2)CS(2){[(CH(2))Me(2)Si](2)N}(2)Sn, in which the [CS(2)](2-) is coordinated through C and S to two tin centers. The product [{[(CH(2))Me(2)Si](2)N}(2)Sn](2)CS(2){[(CH(2))Me(2)Si](2)N}(2)Sn also contains a novel 4-membered Sn-Sn-C-S ring, and exhibits a further bonding interaction through sulfur to a third Sn atom. Reaction of OCS with {[(CH(2))Me(2)Si](2)N}(2)Sn resulted in an insoluble polymeric material. In a comparison reaction, [(Me(3)Si)(2)N](2)Sn was treated with OCS to yield Sn(4)(μ(4)-O)(μ(2)-OSiMe(3))(5)(η(1)-N═C═S). A combination of NMR and IR spectroscopy, mass spectrometry, and single crystal X-ray diffraction were used to characterize the products of each reaction. The oxygen atoms in the final products come from the facile cleavage of either CO(2) or OCS, depending on the reacting carbon dichalogenide.
    Language English
    Publishing date 2010-12-06
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/ic101709q
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Insertion of Carbon Dioxide into Main-Group Complexes: Formation of the [N(CO₂)₃]³⁻ Ligand

    Dickie, Diane A / Parkes, Marie V / Kemp, Richard A

    Angewandte Chemie. 2008 Dec. 08, v. 47, no. 51

    2008  

    Language English
    Dates of publication 2008-1208
    Size p. 9955-9957.
    Publishing place Wiley-VCH Verlag
    Document type Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.200804218
    Database NAL-Catalogue (AGRICOLA)

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  7. Article: Improved patient notes from medical students during web-based teaching using faculty-calibrated peer review and self-assessment.

    McCarty, Teresita / Parkes, Marie V / Anderson, Teresa T / Mines, Jan / Skipper, Betty J / Grebosky, James

    Academic medicine : journal of the Association of American Medical Colleges

    2005  Volume 80, Issue 10 Suppl, Page(s) S67–70

    Abstract: Background: This study examines the effectiveness of Calibrated Peer Review (CPR), a Web-based writing development program, to teach and assess medical students' patient note-writing skills in a standardized fashion.: Method: At the end of the ... ...

    Abstract Background: This study examines the effectiveness of Calibrated Peer Review (CPR), a Web-based writing development program, to teach and assess medical students' patient note-writing skills in a standardized fashion.
    Method: At the end of the clerkship year, 67 medical students were divided into three groups, introduced to CPR, and instructed in patient note-writing. Students then wrote notes for three clinical cases, presented in different order to each group. After training on faculty-calibrated standards, students evaluated their peers' notes and their own notes. Trained faculty, blinded to author, order, and group, also graded student notes.
    Results: Faculty gave lower scores than students, but both groups found students' scores improved significantly from the first to the third note written.
    Conclusions: Student-written patient notes improved in quality while using CPR. The program uses approaches valued in medicine (accurate peer review and self-reflection) to enhance performance.
    MeSH term(s) Clinical Competence ; Computer-Assisted Instruction ; Documentation ; Faculty, Medical ; Female ; Humans ; Internet ; Male ; Peer Review ; Self-Assessment ; Students, Medical ; United States
    Language English
    Publishing date 2005-09-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 96192-9
    ISSN 1938-808X ; 1040-2446
    ISSN (online) 1938-808X
    ISSN 1040-2446
    DOI 10.1097/00001888-200510001-00019
    Database MEDical Literature Analysis and Retrieval System OnLINE

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