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Showing 1 to 12 of 381 entries
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Alarms about structural alerts.

Green chemistry : an international journal and green chemistry resource : GC

Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz'min V, Fourches D, Tropsha A.
PMID: 28503093
Green Chem. 2016 Aug 21;18(16):4348-4360. doi: 10.1039/C6GC01492E. Epub 2016 Jun 28.

Structural alerts are widely accepted in chemical toxicology and regulatory decision support as a simple and transparent means to flag potential chemical hazards or group compounds into categories for read-across. However, there has been a growing concern that alerts...

Crystal structure of (3E,5E)-3,5-bis-[4-(di-ethyl-aza-nium-yl)benzyl-idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material.

Acta crystallographica. Section E, Crystallographic communications

Nesterov VV, Zakharov LN, Nesterov VN, Shulaev V.
PMID: 26870417
Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71:1513-5. doi: 10.1107/S2056989015020952. eCollection 2015 Dec 01.

In the trication of the title hydrated mol-ecular salt, C28H40N3O(3+)·3Cl(-)·2H2O, the central heterocyclic ring adopts a sofa conformation, with the exocyclic N-C bond in an equatorial orientation. The dihedral angles between the planar part of this heterocyclic ring and...

Crystal structures of two unusual, high oxidation state, 16-electron irida-benzenes.

Acta crystallographica. Section E, Crystallographic communications

Chase DT, Zakharov LN, Haley MM.
PMID: 26594499
Acta Crystallogr E Crystallogr Commun. 2015 Oct 14;71:1315-8. doi: 10.1107/S2056989015018952. eCollection 2015 Nov 01.

Treatment of carbon-yl(1,2-diphenylpenta-1,3-dien-1-yl-5-yl-idene)bis-(tri-phenyl-phosphane)iridium, [IrCO(-C(Ph)=C(Ph)-CH=CH-CH=)(PPh3)2], with either bromine or iodine produced di-bromido-(1,2-diphenylpenta-1,3-dien-1-yl-5-yl-idene)(tri-phenyl-phosphine)iridium(III), [IrBr2{-C(Ph)=C(Ph)-CH=CH-CH=}(PPh3)], (I), and (1,2-diphenylpenta-1,3-dien-1-yl-5-yl-idene)di-iodido-(tri-phenyl-phosphane)iridium(III), [IrI2{-C(Ph)=C(Ph)-CH=CH-CH=}(PPh3)], (II), respectively, which are two rare examples of 16-electron metalla-benzenes. Structural elucidation of (I) and (II) reveals that these isotypic irida-benzenes are unusual,...

Biodiversity inventories in high gear: DNA barcoding facilitates a rapid biotic survey of a temperate nature reserve.

Biodiversity data journal

Telfer AC, Young MR, Quinn J, Perez K, Sobel CN, Sones JE, Levesque-Beaudin V, Derbyshire R, Fernandez-Triana J, Rougerie R, Thevanayagam A, Boskovic A, Borisenko AV, Cadel A, Brown A, Pages A, Castillo AH, Nicolai A, Glenn Mockford BM, Bukowski B, Wilson B, Trojahn B, Lacroix CA, Brimblecombe C, Hay C, Ho C, Steinke C, Warne CP, Garrido Cortes C, Engelking D, Wright D, Lijtmaer DA, Gascoigne D, Hernandez Martich D, Morningstar D, Neumann D, Steinke D, Marco DeBruin DD, Dobias D, Sears E, Richard E, Damstra E, Zakharov EV, Laberge F, Collins GE, Blagoev GA, Grainge G, Ansell G, Meredith G, Hogg I, McKeown J, Topan J, Bracey J, Guenther J, Sills-Gilligan J, Addesi J, Persi J, Layton KK, D'Souza K, Dorji K, Grundy K, Nghidinwa K, Ronnenberg K, Lee KM, Xie L, Lu L, Penev L, Gonzalez M, Rosati ME, Kekkonen M, Kuzmina M, Iskandar M, Mutanen M, Fatahi M, Pentinsaari M, Bauman M, Nikolova N, Ivanova NV, Jones N, Weerasuriya N, Monkhouse N, Lavinia PD, Jannetta P, Hanisch PE, McMullin RT, Ojeda Flores R, Mouttet R, Vender R, Labbee RN, Forsyth R, Lauder R, Dickson R, Kroft R, Miller SE, MacDonald S, Panthi S, Pedersen S, Sobek-Swant S, Naik S, Lipinskaya T, Eagalle T, Decaëns T, Kosuth T, Braukmann T, Woodcock T, Roslin T, Zammit T, Campbell V, Dinca V, Peneva V, Hebert PD, deWaard JR.
PMID: 26379469
Biodivers Data J. 2015 Aug 30;(3):e6313. doi: 10.3897/BDJ.3.e6313. eCollection 2015.

BACKGROUND: Comprehensive biotic surveys, or 'all taxon biodiversity inventories' (ATBI), have traditionally been limited in scale or scope due to the complications surrounding specimen sorting and species identification. To circumvent these issues, several ATBI projects have successfully integrated DNA...

Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.

Journal of the American Chemical Society

Wirth R, White JD, Moghaddam AD, Ginzburg AL, Zakharov LN, Haley MM, DeRose VJ.
PMID: 26512733
J Am Chem Soc. 2015 Dec 09;137(48):15169-75. doi: 10.1021/jacs.5b09108. Epub 2015 Nov 24.

Tracking of Pt(II) complexes is of crucial importance toward understanding Pt interactions with cellular biomolecules. Post-treatment fluorescent labeling of functionalized Pt(II)-based agents using the bioorthogonal Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction has recently been reported as a promising approach. Here...

DNA barcoding reveals twelve lineages with properties of phylogenetic and biological species within Melitaea didyma sensu lato (Lepidoptera, Nymphalidae).

ZooKeys

Pazhenkova EA, Zakharov EV, Lukhtanov VA.
PMID: 26807035
Zookeys. 2015 Nov 19;(538):35-46. doi: 10.3897/zookeys.538.6605. eCollection 2015.

The complex of butterfly taxa close to Melitaea didyma includes the traditionally recognized species Melitaea didyma, Melitaea didymoides and Melitaea sutschana, the taxa that were recognized as species only relatively recently (Melitaea latonigena, Melitaea interrupta, Melitaea chitralensis and Melitaea...

Direct observation of decoupled structural and electronic transitions and an ambient pressure monocliniclike metallic phase of VO2.

Physical review letters

Laverock J, Kittiwatanakul S, Zakharov AA, Niu YR, Chen B, Wolf SA, Lu JW, Smith KE.
PMID: 25479508
Phys Rev Lett. 2014 Nov 21;113(21):216402. doi: 10.1103/PhysRevLett.113.216402. Epub 2014 Nov 17.

We report the simultaneous measurement of the structural and electronic components of the metal-insulator transition (MIT) of VO2 using electron and photoelectron spectroscopies and microscopies. We show that these evolve over different temperature scales, and are separated by an...

Surface polarization and effective anchoring energy in liquid crystals.

Physical review. E, Statistical, nonlinear, and soft matter physics

Zakharov AV, Dong RY.
PMID: 11690068
Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Oct;64(4):042701. doi: 10.1103/PhysRevE.64.042701. Epub 2001 Sep 25.

The influence of the surface polarization (SP) on the effective anchoring energy for both homeotropic and planar alignments of polar liquid crystals at a solid substrate is discussed from the energy point of view. It is shown that in...

The effect of a 3-benzyl group on the coordination chemistry of homoscorpionate ligands.

Inorganic chemistry

Rheingold AL, Zakharov LN, Trofimenko S.
PMID: 12562196
Inorg Chem. 2003 Feb 10;42(3):827-33. doi: 10.1021/ic0205280.

New homoscorpionate ligands containing a 3-benzyl substituent, hydrotris(3-benzyl-5-methylpyrazol-1-yl)borate, Tp(Bn,Me), and hydrotris(3-benzyl-4-phenylpyrazol-1-yl)borate, Tp(Bn,4Ph), have been synthesized, and the dynamic behavior of a number of metal complexes was studied by NMR. Structures of the complexes Tl[Tp(Bn,Me)], 1, Tl[Tp(Bn,4Ph)], 2, Co[Tp(Bn,Me)][Tp(Np)], 3,...

Ferroelectric Bi3.25La0.75Ti3O12 films of uniform a-axis orientation on silicon substrates.

Science (New York, N.Y.)

Lee HN, Hesse D, Zakharov N, Gösele U.
PMID: 12065831
Science. 2002 Jun 14;296(5575):2006-9. doi: 10.1126/science.1069958.

The use of bismuth-layered perovskite films for planar-type nonvolatile ferroelectric random-access memories requires films with spontaneous polarization normal to the plane of growth. Epitaxially twinned a axis-oriented La-substituted Bi4Ti3O12 (BLT) thin films whose spontaneous polarization is entirely along the...

Propagation of acoustic waves in nematic elastomers.

Physical review. E, Statistical, nonlinear, and soft matter physics

Terentjev EM, Kamotski IV, Zakharov DD, Fradkin LJ.
PMID: 12513537
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Nov;66(5):052701. doi: 10.1103/PhysRevE.66.052701. Epub 2002 Nov 20.

We develop a theory of elastic waves in oriented monodomain nematic elastomers. The effect of soft elasticity, combined with the Leslie-Ericksen version of dissipation function, results in an unusual dispersion and anomalous anisotropy of shear acoustic waves. A characteristic...

Reductive activation of carbon-fluorine bonds in perfluoroalkyl ligands: an unexpected route to the only known tetrafluorobutatriene transition metal complex: Ir(eta 5-C5Me5)(PMe3)(2,3-eta 2 -CF2[double bond]C[double bond]C[double bond]CF2).

Journal of the American Chemical Society

Hughes RP, Laritchev RB, Zakharov LN, Rheingold AL.
PMID: 14982426
J Am Chem Soc. 2004 Mar 03;126(8):2308-9. doi: 10.1021/ja031598o.

Six-electron reduction of the perfluoro-sec-butyl ligand in Cp*Ir(PMe3)I(C4F9) with sodium naphthalenide affords the first known example of a transition metal complex of tetrafluorobutatriene, Cp*Ir(PMe3)(C4F4). The free ligand is a highly unstable compound. The compound has been completely characterized by...

Showing 1 to 12 of 381 entries