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Importance of self-interaction-error removal in density functional calculations on water cluster anions.

Vargas J, Ufondu P, Baruah T, Yamamoto Y, Jackson KA, Zope RR.

Phys Chem Chem Phys. 2020 Jan 3. doi: 10.1039/c9cp06106a. [Epub ahead of print]


A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction.

Zope RR, Yamamoto Y, Diaz CM, Baruah T, Peralta JE, Jackson KA, Santra B, Perdew JP.

J Chem Phys. 2019 Dec 7;151(21):214108. doi: 10.1063/1.5129533.


The effect of self-interaction error on electrostatic dipoles calculated using density functional theory.

Johnson AI, Withanage KPK, Sharkas K, Yamamoto Y, Baruah T, Zope RR, Peralta JE, Jackson KA.

J Chem Phys. 2019 Nov 7;151(17):174106. doi: 10.1063/1.5125205.


Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional.

Yamamoto Y, Diaz CM, Basurto L, Jackson KA, Baruah T, Zope RR.

J Chem Phys. 2019 Oct 21;151(15):154105. doi: 10.1063/1.5120532.


Interpretation and Automatic Generation of Fermi-Orbital Descriptors.

Schwalbe S, Trepte K, Fiedler L, Johnson AI, Kraus J, Hahn T, Peralta JE, Jackson KA, Kortus J.

J Comput Chem. 2019 Dec 15;40(32):2843-2857. doi: 10.1002/jcc.26062. Epub 2019 Sep 10.


Multistate Outbreak of Listeriosis Associated with Packaged Leafy Green Salads, United States and Canada, 2015-2016.

Self JL, Conrad A, Stroika S, Jackson A, Whitlock L, Jackson KA, Beal J, Wellman A, Fatica MK, Bidol S, Huth PP, Hamel M, Franklin K, Tschetter L, Kopko C, Kirsch P, Wise ME, Basler C.

Emerg Infect Dis. 2019 Aug;25(8):1461-1468. doi: 10.3201/eid2508.180761.


Bacterial and Fungal Infections in Persons Who Inject Drugs - Western New York, 2017.

Hartnett KP, Jackson KA, Felsen C, McDonald R, Bardossy AC, Gokhale RH, Kracalik I, Lucas T, McGovern O, Van Beneden CA, Mendoza M, Bohm M, Brooks JT, Asher AK, Magill SS, Fiore A, Blog D, Dufort EM, See I, Dumyati G.

MMWR Morb Mortal Wkly Rep. 2019 Jul 5;68(26):583-586. doi: 10.15585/mmwr.mm6826a2.


Public Health Importance of Invasive Methicillin-sensitive Staphylococcus aureus Infections: Surveillance in 8 US Counties, 2016.

Jackson KA, Gokhale RH, Nadle J, Ray SM, Dumyati G, Schaffner W, Ham DC, Magill SS, Lynfield R, See I.

Clin Infect Dis. 2019 Apr 23. pii: ciz323. doi: 10.1093/cid/ciz323. [Epub ahead of print]


Gross and histopathologic diagnoses from North Atlantic right whale Eubalaena glacialis mortalities between 2003 and 2018.

Sharp SM, McLellan WA, Rotstein DS, Costidis AM, Barco SG, Durham K, Pitchford TD, Jackson KA, Daoust PY, Wimmer T, Couture EL, Bourque L, Frasier T, Frasier B, Fauquier D, Rowles TK, Hamilton PK, Pettis H, Moore MJ.

Dis Aquat Organ. 2019 Jun 20;135(1):1-31. doi: 10.3354/dao03376.


Stretched or noded orbital densities and self-interaction correction in density functional theory.

Shahi C, Bhattarai P, Wagle K, Santra B, Schwalbe S, Hahn T, Kortus J, Jackson KA, Peralta JE, Trepte K, Lehtola S, Nepal NK, Myneni H, Neupane B, Adhikari S, Ruzsinszky A, Yamamoto Y, Baruah T, Zope RR, Perdew JP.

J Chem Phys. 2019 May 7;150(17):174102. doi: 10.1063/1.5087065.


Comment on "Additional Insights Between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT".

Jackson KA, Withanage KPK, Peralta JE.

J Phys Chem A. 2019 May 16;123(19):4322-4323. doi: 10.1021/acs.jpca.9b02516. Epub 2019 May 6. No abstract available.


Temporal and demographic variation in partial migration of the North Atlantic right whale.

Gowan TA, Ortega-Ortiz JG, Hostetler JA, Hamilton PK, Knowlton AR, Jackson KA, George RC, Taylor CR, Naessig PJ.

Sci Rep. 2019 Jan 23;9(1):353. doi: 10.1038/s41598-018-36723-3.


Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction.

Trepte K, Schwalbe S, Hahn T, Kortus J, Kao DY, Yamamoto Y, Baruah T, Zope RR, Withanage KPK, Peralta JE, Jackson KA.

J Comput Chem. 2019 Mar 5;40(6):820-825. doi: 10.1002/jcc.25767. Epub 2018 Dec 27.


Fatal bronchopneumonia caused by skunk adenovirus 1 in an African pygmy hedgehog.

Needle DB, Selig MK, Jackson KA, Delwart E, Tighe E, Leib SL, Seuberlich T, Pesavento PA.

J Vet Diagn Invest. 2019 Jan;31(1):103-106. doi: 10.1177/1040638718812123. Epub 2018 Nov 26.


Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.

Sharkas K, Li L, Trepte K, Withanage KPK, Joshi RP, Zope RR, Baruah T, Johnson JK, Jackson KA, Peralta JE.

J Phys Chem A. 2018 Dec 6;122(48):9307-9315. doi: 10.1021/acs.jpca.8b09940. Epub 2018 Nov 20.


Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings.

Joshi RP, Trepte K, Withanage KPK, Sharkas K, Yamamoto Y, Basurto L, Zope RR, Baruah T, Jackson KA, Peralta JE.

J Chem Phys. 2018 Oct 28;149(16):164101. doi: 10.1063/1.5050809.


Universality in size-driven evolution towards bulk polarizability of metals.

Jellinek J, Jackson KA.

Nanoscale. 2018 Sep 27;10(37):17534-17539. doi: 10.1039/c8nr06307a.


On the Question of the Total Energy in the Fermi-Löwdin Orbital Self-Interaction Correction Method.

Withanage KPK, Trepte K, Peralta JE, Baruah T, Zope R, Jackson KA.

J Chem Theory Comput. 2018 Aug 14;14(8):4122-4128. doi: 10.1021/acs.jctc.8b00344. Epub 2018 Jul 24.


Invasive Methicillin-Resistant Staphylococcus aureus Infections Among Persons Who Inject Drugs - Six Sites, 2005-2016.

Jackson KA, Bohm MK, Brooks JT, Asher A, Nadle J, Bamberg WM, Petit S, Ray SM, Harrison LH, Lynfield R, Dumyati G, Schaffner W, Townes JM, See I.

MMWR Morb Mortal Wkly Rep. 2018 Jun 8;67(22):625-628. doi: 10.15585/mmwr.mm6722a2.


Heritable variation in prey defence provides refuge for subdominant predators.

Lenhart PA, Jackson KA, White JA.

Proc Biol Sci. 2018 May 30;285(1879). pii: 20180523. doi: 10.1098/rspb.2018.0523.


Listeriosis Outbreaks Associated with Soft Cheeses, United States, 1998-20141.

Jackson KA, Gould LH, Hunter JC, Kucerova Z, Jackson B.

Emerg Infect Dis. 2018 Jun;24(6):1116-1118. doi: 10.3201/eid2406.171051.


Clinical Characteristics and Ancillary Test Results Among Patients With Botulism-United States, 2002-2015.

Rao AK, Lin NH, Jackson KA, Mody RK, Griffin PM.

Clin Infect Dis. 2017 Dec 27;66(suppl_1):S4-S10. doi: 10.1093/cid/cix935.


A window of opportunity: Subdominant predators can use suboptimal prey.

Jackson KA, McCord JS, White JA.

Ecol Evol. 2017 Jun 7;7(14):5269-5275. doi: 10.1002/ece3.3139. eCollection 2017 Jul.


Bone density and body composition in newly licenced professional jockeys.

Jackson KA, Sanchez-Santos MT, MacKinnon AL, Turner A, Kuznik K, Ellis S, Box C, Hill J, Javaid MK, Cooper C, Arden NK, Newton JL.

Osteoporos Int. 2017 Sep;28(9):2675-2682. doi: 10.1007/s00198-017-4086-0. Epub 2017 Jun 13.


Multistate outbreak of Listeria monocytogenes infections linked to whole apples used in commercially produced, prepackaged caramel apples: United States, 2014-2015.

Angelo KM, Conrad AR, Saupe A, Dragoo H, West N, Sorenson A, Barnes A, Doyle M, Beal J, Jackson KA, Stroika S, Tarr C, Kucerova Z, Lance S, Gould LH, Wise M, Jackson BR.

Epidemiol Infect. 2017 Apr;145(5):848-856. doi: 10.1017/S0950268816003083. Epub 2017 Jan 9.


Prevalence of Klebsiella oxytoca in Anolis carolensis of Louisiana.

Jackson KA.

Vector Borne Zoonotic Dis. 2016 Dec;16(12):800-801. Epub 2016 Oct 25.


Notes from the Field: Outbreak of Listeriosis Associated with Consumption of Packaged Salad - United States and Canada, 2015-2016.

Self JL, Conrad A, Stroika S, Jackson A, Burnworth L, Beal J, Wellman A, Jackson KA, Bidol S, Gerhardt T, Hamel M, Franklin K, Kopko C, Kirsch P, Wise ME, Basler C.

MMWR Morb Mortal Wkly Rep. 2016 Aug 26;65(33):879-81. doi: 10.15585/mmwr.mm6533a6.


Assessment of the Incubation Period for Invasive Listeriosis.

Angelo KM, Jackson KA, Wong KK, Hoekstra RM, Jackson BR.

Clin Infect Dis. 2016 Dec 1;63(11):1487-1489. Epub 2016 Aug 17. Review.


Use of Whole Genome Sequencing and Patient Interviews To Link a Case of Sporadic Listeriosis to Consumption of Prepackaged Lettuce.

Jackson KA, Stroika S, Katz LS, Beal J, Brandt E, Nadon C, Reimer A, Major B, Conrad A, Tarr C, Jackson BR, Mody RK.

J Food Prot. 2016 May;79(5):806-9. doi: 10.4315/0362-028X.JFP-15-384.


Implementation of Nationwide Real-time Whole-genome Sequencing to Enhance Listeriosis Outbreak Detection and Investigation.

Jackson BR, Tarr C, Strain E, Jackson KA, Conrad A, Carleton H, Katz LS, Stroika S, Gould LH, Mody RK, Silk BJ, Beal J, Chen Y, Timme R, Doyle M, Fields A, Wise M, Tillman G, Defibaugh-Chavez S, Kucerova Z, Sabol A, Roache K, Trees E, Simmons M, Wasilenko J, Kubota K, Pouseele H, Klimke W, Besser J, Brown E, Allard M, Gerner-Smidt P.

Clin Infect Dis. 2016 Aug 1;63(3):380-6. doi: 10.1093/cid/ciw242. Epub 2016 Apr 18.


Structure-Activity Studies of Cysteine-Rich α-Conotoxins that Inhibit High-Voltage-Activated Calcium Channels via GABA(B) Receptor Activation Reveal a Minimal Functional Motif.

Carstens BB, Berecki G, Daniel JT, Lee HS, Jackson KA, Tae HS, Sadeghi M, Castro J, O'Donnell T, Deiteren A, Brierley SM, Craik DJ, Adams DJ, Clark RJ.

Angew Chem Int Ed Engl. 2016 Apr 4;55(15):4692-6. doi: 10.1002/anie.201600297. Epub 2016 Mar 7.


Zinc sensing by metal-responsive transcription factor 1 (MTF1) controls metallothionein and ZnT1 expression to buffer the sensitivity of the transcriptome response to zinc.

Hardyman JE, Tyson J, Jackson KA, Aldridge C, Cockell SJ, Wakeling LA, Valentine RA, Ford D.

Metallomics. 2016 Mar;8(3):337-43. doi: 10.1039/c5mt00305a.


Estimating the Incidence of Acute Infectious Intestinal Disease in the Community in the UK: A Retrospective Telephone Survey.

Viviani L, van der Es M, Irvine L, Tam CC, Rodrigues LC, Jackson KA, O'Brien SJ, Hunter PR; IID2 Study Executive Committee.

PLoS One. 2016 Jan 25;11(1):e0146171. doi: 10.1371/journal.pone.0146171. eCollection 2016.


Two Listeria monocytogenes Pseudo-outbreaks Caused by Contaminated Laboratory Culture Media.

Matanock A, Katz LS, Jackson KA, Kucerova Z, Conrad AR, Glover WA, Nguyen V, Mohr MC, Marsden-Haug N, Thompson D, Dunn JR, Stroika S, Melius B, Tarr C, Dietrich SE, Kao AS, Kornstein L, Li Z, Maroufi A, Marder EP, Meyer R, Perez-Osorio AC, Reddy V, Reporter R, Carleton H, Tweeten S, Waechter H, Yee LM, Wise ME, Davis K, Jackson BR.

J Clin Microbiol. 2016 Mar;54(3):768-70. doi: 10.1128/JCM.02035-15. Epub 2015 Dec 23.


Determination of Evolutionary Relationships of Outbreak-Associated Listeria monocytogenes Strains of Serotypes 1/2a and 1/2b by Whole-Genome Sequencing.

Bergholz TM, den Bakker HC, Katz LS, Silk BJ, Jackson KA, Kucerova Z, Joseph LA, Turnsek M, Gladney LM, Halpin JL, Xavier K, Gossack J, Ward TJ, Frace M, Tarr CL.

Appl Environ Microbiol. 2015 Nov 20;82(3):928-38. doi: 10.1128/AEM.02440-15. Print 2016 Feb 1.


Assessing risk factors for early hip osteoarthritis in activity-related hip pain: a Delphi study.

Jackson KA, Glyn-Jones S, Batt ME, Arden NK, Newton JL; Delphi Panel.

BMJ Open. 2015 Sep 29;5(9):e007609. doi: 10.1136/bmjopen-2015-007609.


A first-in-human phase I dose-escalation, pharmacokinetic, and pharmacodynamic evaluation of intravenous LY2090314, a glycogen synthase kinase 3 inhibitor, administered in combination with pemetrexed and carboplatin.

Gray JE, Infante JR, Brail LH, Simon GR, Cooksey JF, Jones SF, Farrington DL, Yeo A, Jackson KA, Chow KH, Zamek-Gliszczynski MJ, Burris HA 3rd.

Invest New Drugs. 2015 Dec;33(6):1187-96. doi: 10.1007/s10637-015-0278-7. Epub 2015 Sep 25.


Multistate outbreak of listeriosis caused by imported cheese and evidence of cross-contamination of other cheeses, USA, 2012.

Heiman KE, Garalde VB, Gronostaj M, Jackson KA, Beam S, Joseph L, Saupe A, Ricotta E, Waechter H, Wellman A, Adams-Cameron M, Ray G, Fields A, Chen Y, Datta A, Burall L, Sabol A, Kucerova Z, Trees E, Metz M, Leblanc P, Lance S, Griffin PM, Tauxe RV, Silk BJ.

Epidemiol Infect. 2016 Oct;144(13):2698-708. doi: 10.1017/S095026881500117X. Epub 2015 Jun 30.


In Situ Microscopic Observation of the Crystallization Process of Molecular Microparticles by Fluorescence Switching.

Ye X, Liu Y, Lv Y, Liu G, Zheng X, Han Q, Jackson KA, Tao X.

Angew Chem Int Ed Engl. 2015 Jun 26;54(27):7976-80. doi: 10.1002/anie.201503052. Epub 2015 May 14.


In situ imaging of on-surface, solvent-free molecular single-crystal growth.

Liu G, Liu J, Sun H, Zheng X, Liu Y, Li X, Qi H, Bai X, Jackson KA, Tao X.

J Am Chem Soc. 2015 Apr 22;137(15):4972-5. doi: 10.1021/jacs.5b02637. Epub 2015 Apr 10.


Notes from the field: listeriosis associated with stone fruit--United States, 2014.

Jackson BR, Salter M, Tarr C, Conrad A, Harvey E, Steinbock L, Saupe A, Sorenson A, Katz L, Stroika S, Jackson KA, Carleton H, Kucerova Z, Melka D, Strain E, Parish M, Mody RK; Centers for Disease Control and Prevention (CDC).

MMWR Morb Mortal Wkly Rep. 2015 Mar 20;64(10):282-3.


H2 saturation on palladium clusters.

Pelzer AW, Jellinek J, Jackson KA.

J Phys Chem A. 2015 Apr 16;119(15):3594-603. doi: 10.1021/jp512643a. Epub 2015 Apr 3.


Estimating the attack rate of pregnancy-associated listeriosis during a large outbreak.

Imanishi M, Routh JA, Klaber M, Gu W, Vanselow MS, Jackson KA, Sullivan-Chang L, Heinrichs G, Jain N, Albanese B, Callaghan WM, Mahon BE, Silk BJ.

Infect Dis Obstet Gynecol. 2015;2015:201479. doi: 10.1155/2015/201479. Epub 2015 Feb 15.


CYP2B6*6 allele and age substantially reduce steady-state ketamine clearance in chronic pain patients: impact on adverse effects.

Li Y, Jackson KA, Slon B, Hardy JR, Franco M, William L, Poon P, Coller JK, Hutchinson MR, Currow DC, Somogyi AA.

Br J Clin Pharmacol. 2015 Aug;80(2):276-84. doi: 10.1111/bcp.12614. Epub 2015 Jun 1.


Botulism mortality in the USA, 1975-2009.

Jackson KA, Mahon BE, Copeland J, Fagan RP.

Botulinum J. 2015;3(1):6-17. doi: 10.1504/TBJ.2015.078132. Epub 2016 Aug 4.


Notes from the field: multistate outbreak of listeriosis linked to soft-ripened cheese--United States, 2013.

Choi MJ, Jackson KA, Medus C, Beal J, Rigdon CE, Cloyd TC, Forstner MJ, Ball J, Bosch S, Bottichio L, Cantu V, Melka DC, Ishow W, Slette S, Irvin K, Wise M, Tarr C, Mahon B, Smith KE, Silk BJ; Centers for Disease Control and Prevention (CDC).

MMWR Morb Mortal Wkly Rep. 2014 Apr 4;63(13):294-5.


Extracellular hemin crisis triggers acute chest syndrome in sickle mice.

Ghosh S, Adisa OA, Chappa P, Tan F, Jackson KA, Archer DR, Ofori-Acquah SF.

J Clin Invest. 2013 Nov;123(11):4809-20.


Multistate outbreak of listeriosis associated with cantaloupe.

McCollum JT, Cronquist AB, Silk BJ, Jackson KA, O'Connor KA, Cosgrove S, Gossack JP, Parachini SS, Jain NS, Ettestad P, Ibraheem M, Cantu V, Joshi M, DuVernoy T, Fogg NW Jr, Gorny JR, Mogen KM, Spires C, Teitell P, Joseph LA, Tarr CL, Imanishi M, Neil KP, Tauxe RV, Mahon BE.

N Engl J Med. 2013 Sep 5;369(10):944-53. doi: 10.1056/NEJMoa1215837.


H2 reactions on palladium clusters.

Pelzer AW, Jellinek J, Jackson KA.

J Phys Chem A. 2013 Oct 10;117(40):10407-15. doi: 10.1021/jp403089x. Epub 2013 Sep 18.


Vision Loss following Intraocular Listeriosis Associated with Contaminated Cantaloupe.

Ibraheem M, Vance S, Jackson KA, Ettestad P, Smelser C, Silk B.

Case Rep Ophthalmol. 2013 Jun 1;4(2):7-11. doi: 10.1159/000351858. Print 2013 May.

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