2018
Identification of ions in experimental electrostatic potential maps
Wang J, Liu Z, Frank J, Moore PB. Identification of ions in experimental electrostatic potential maps. IUCrJ 2018, 5: 375-381. PMID: 30002838, PMCID: PMC6038950, DOI: 10.1107/s2052252518006292.Peer-Reviewed Original ResearchElectrostatic potentialElectrostatic potential mapsCation-anion pairsX-ray crystallographyCation peaksIonic pairsAtomic chargesAnion peaksIdentification of ionsIsolated ionsAnionsCationsIonsESP valuesAtomsCryo-electron microscopyPotential mapsHigh scattering anglesElectron distributionMacromoleculesChargeUncharged atomsCryo-EM mapsCrystallographyThe safer chemical design game. Gamification of green chemistry and safer chemical design concepts for high school and undergraduate students
Mellor K, Coish P, Brooks B, Gallagher E, Mills M, Kavanagh T, Simcox N, Lasker G, Botta D, Voutchkova-Kostal A, Kostal J, Mullins M, Nesmith S, Corrales J, Kristofco L, Saari G, Steele W, Melnikov F, Zimmerman J, Anastas P. The safer chemical design game. Gamification of green chemistry and safer chemical design concepts for high school and undergraduate students. Green Chemistry Letters And Reviews 2018, 11: 103-110. DOI: 10.1080/17518253.2018.1434566.Peer-Reviewed Original Research
2017
On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps
Wang J. On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps. Protein Science 2017, 26: 1098-1104. PMID: 28370507, PMCID: PMC5441424, DOI: 10.1002/pro.3169.Peer-Reviewed Original ResearchConceptsAtomic partial chargesPartial chargesQuantum mechanicsForce field parametersAtomic propertiesPartial atomic chargesDensity mapsAtomic chargesField parametersMolecular dynamicsAtomsElectron microscopyProtein backboneNeutral peptide backboneChargeChain atomsComputer simulationsSide-chain atomsDensityPeptide backboneProtein moleculesModel refinementSimulationsPotential densityBackbone
2012
The PreAmplifier ShAper for the ALICE TPC detector
Soltveit H, Stachel J, Braun-Munzinger P, Musa L, Gustafsson H, Bonnes U, Oeschler H, Osterman L, Lang S, Collaboration F. The PreAmplifier ShAper for the ALICE TPC detector. Nuclear Instruments And Methods In Physics Research Section A Accelerators Spectrometers Detectors And Associated Equipment 2012, 676: 106-119. DOI: 10.1016/j.nima.2012.02.012.Peer-Reviewed Original ResearchTime projection chamberCharge sensitive amplifierALICE Time Projection ChamberPb-Pb collisionsPole-zero networkEquivalent noise chargeFront-end cardsProjection chamberTPC detectorALICE experimentDetector capacitanceNoise chargeSensitive amplifierAlicePreamplifierDetectorP-PIdentical channelsInput capacitanceIntegral non-linearityYears of operationShaperBias networkChargeLHC
2008
An Uncharged Amine in the Transition State of the Ribosomal Peptidyl Transfer Reaction
Kingery DA, Pfund E, Voorhees RM, Okuda K, Wohlgemuth I, Kitchen DE, Rodnina MV, Strobel SA. An Uncharged Amine in the Transition State of the Ribosomal Peptidyl Transfer Reaction. Cell Chemical Biology 2008, 15: 493-500. PMID: 18482701, PMCID: PMC2851197, DOI: 10.1016/j.chembiol.2008.04.005.Peer-Reviewed Original ResearchConceptsTransition stateAminolysis reactionBond formationNitrogen-carbon bond formationLinear free energy relationshipSubstantial positive chargeChemical transition stateFree energy relationshipsPeptidyl transfer reactionTransfer reactionsActive sitePositive chargeUncharged amineReactionNucleophilesPuromycin derivativesDeprotonationChemistryDetailed understandingAminesFormationDerivativesChargeSolution
2001
Effects of tail‐like substituents on the binding of competitive inhibitors to the QB site of photosystem II
Reifler M, Szalai V, Peterson C, Brudvig G. Effects of tail‐like substituents on the binding of competitive inhibitors to the QB site of photosystem II. Journal Of Molecular Recognition 2001, 14: 157-165. PMID: 11391786, DOI: 10.1002/jmr.529.Peer-Reviewed Original ResearchConceptsQB siteAqueous phasePhotosystem IIBulk aqueous phaseCritical micelle concentrationTriazine-type herbicidesQuinone-binding sitePhenylurea moietyEffect of chargeAlkyl chainsHydrophobic tailSolvent conditionsMicelle concentrationPara positionPhenylurea compoundsS-triazineAlkylamino groupSubstituentsSmall libraryHydrophobic linkerMolecular rulerHydrophilic domainsNonspecific bindingChargeCompetitive inhibitor
1999
Bilayers of neutral lipids bear a small but significant charge
Pincet F, Cribier S, Perez E. Bilayers of neutral lipids bear a small but significant charge. The European Physical Journal B 1999, 11: 127-130. DOI: 10.1007/bf03219162.Peer-Reviewed Original ResearchNeutral lipid bilayersLipid bilayersSurface force measurementsPure waterPhosphatidyl choline bilayerAqueous mediaElectrophoretic measurementsHigh salt concentrationsSurface forcesNegative chargeSignificant chargeWeak forcesAdhesion energySalt concentrationSalt solutionRepulsionBilayersLess chargeWeak repulsionSaltChargeForce measurementsSmall amountWater
1998
[16] Ion-coupled neurotransmitter transport: Thermodynamic vs. kinetic determinations of stoichiometry
Rudnick G. [16] Ion-coupled neurotransmitter transport: Thermodynamic vs. kinetic determinations of stoichiometry. Methods In Enzymology 1998, 296: 233-247. PMID: 9779452, DOI: 10.1016/s0076-6879(98)96018-9.Peer-Reviewed Reviews, Practice Guidelines, Standards, and Consensus StatementsConceptsNumber of ionsKinetic determinationMolecular machinesCharge movesIonsLipid bilayersNeurotransmitter moleculesMoleculesInput of energySteady-state distributionLow concentrationsChargeElectrical potentialMembraneIon gradientsStoichiometryHigh concentrationsUltimate concentrationNaConcentrationEnergyBilayersNeurotransmitter transportersNumber of NaNeurotransmitter transport
1997
Electrostatic Nanotitration of Weak Biochemical Bonds
Pincet F, Rawicz W, Perez E, Lebeau L, Mioskowski C, Evans E. Electrostatic Nanotitration of Weak Biochemical Bonds. Physical Review Letters 1997, 79: 1949-1952. DOI: 10.1103/physrevlett.79.1949.Peer-Reviewed Original Research
1991
State‐of‐the‐art biomolecular core facilities: a comprehensive survey1
Niece R, Beach C, Cook R, Hathaway G, Williams K. State‐of‐the‐art biomolecular core facilities: a comprehensive survey1. The FASEB Journal 1991, 5: 2756-2760. PMID: 1916100, DOI: 10.1096/fasebj.5.13.1916100.Peer-Reviewed Original Research
1990
Cryptic na+, k+‐atpase activity in rat liver canalicular plasma membranes: Evidence for its basolateral origin
Sellinger M, Barrett C, Malle P, Gordon E, Boyer J. Cryptic na+, k+‐atpase activity in rat liver canalicular plasma membranes: Evidence for its basolateral origin. Hepatology 1990, 11: 223-229. PMID: 2155168, DOI: 10.1002/hep.1840110211.Peer-Reviewed Original ResearchConceptsFree-flow electrophoresisMembrane-fluidizing agentSurface chargeBasolateral enzymeBasolateral marker enzymeSmall contaminantsRat liver canalicular plasma membranesSmall amountRoutine assayAnodeSucrose density centrifugationMembraneElectrophoresisCanalicular liver plasma membranesEnzymeMembrane preparationsContaminantsPreparationChargeCanalicular markerPrecipitationLiver plasma membranesFractionActivity
1980
Chemical modification reduces the conductance of sodium channels in nerve
Sigworth F, Spalding B. Chemical modification reduces the conductance of sodium channels in nerve. Nature 1980, 283: 293-295. PMID: 6965422, DOI: 10.1038/283293a0.Peer-Reviewed Original ResearchConceptsChemical modificationTrimethyloxonium ionSuch chemical modificationsCarboxyl groupsNegative chargeSuch reagentsTMO treatmentPermeability propertiesReagentsLinear instantaneous current-voltage relationshipSmaller single-channel conductancePropertiesPotent poisonNormal KdIonsModificationSaxitoxinCharge
1971
COOPERATION OF CHARGES IN PHOTOSYNTHETIC O2 EVOLUTION‐II. DAMPING OF FLASH YIELD OSCILLATION, DEACTIVATION*
FORBUSH B, KOK B, McGLOIN M. COOPERATION OF CHARGES IN PHOTOSYNTHETIC O2 EVOLUTION‐II. DAMPING OF FLASH YIELD OSCILLATION, DEACTIVATION*. Photochemistry And Photobiology 1971, 14: 307-321. DOI: 10.1111/j.1751-1097.1971.tb06175.x.Peer-Reviewed Original ResearchTrapping centersOxidation stateS 0S 1 stateWeak continuous lightS-1Effective excitationPhotochemical conversionYield oscillationsDark reactionSatisfactory agreementDeactivationO 2 evolutionConsecutive flashesO-2Experimental dataOscillationsPreilluminationEquivalent stepsPhotosynthetic O 2 evolutionFLASH sequenceReactionBest-fitChargeOxidation
1970
COOPERATION OF CHARGES IN PHOTOSYNTHETIC O2 EVOLUTION–I. A LINEAR FOUR STEP MECHANISM
KOK B, FORBUSH B, McGLOIN M. COOPERATION OF CHARGES IN PHOTOSYNTHETIC O2 EVOLUTION–I. A LINEAR FOUR STEP MECHANISM. Photochemistry And Photobiology 1970, 11: 457-475. PMID: 5456273, DOI: 10.1111/j.1751-1097.1970.tb06017.x.Peer-Reviewed Original Research
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