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Items: 1 to 50 of 151

1.

Development of a Leader Tool for Assessing and Mitigating Suicide Risk Factors.

Hoyt T, Repke D, Barry D, Baisley M, Jervis S, Black R, McCreight S, Prendergast D, Brinton C, Amin R.

Mil Med. 2020 Jan 7;185(Supplement_1):334-341. doi: 10.1093/milmed/usz194.

PMID:
32074327
2.

Ultrafast core-excited electron dynamics in model crystalline organic semiconductors.

Duong VV, Prendergast D, Ayzner AL.

Phys Chem Chem Phys. 2020 Jan 21;22(3):1400-1408. doi: 10.1039/c9cp06539c. Epub 2019 Dec 20.

PMID:
31859332
3.

Probing ultrafast C-Br bond fission in the UV photochemistry of bromoform with core-to-valence transient absorption spectroscopy.

Toulson BW, Borgwardt M, Wang H, Lackner F, Chatterley AS, Pemmaraju CD, Neumark DM, Leone SR, Prendergast D, Gessner O.

Struct Dyn. 2019 Oct 11;6(5):054304. doi: 10.1063/1.5113798. eCollection 2019 Sep.

4.

Efficient Hydrogen Production from Methanol Using a Single-Site Pt1/CeO2 Catalyst.

Chen LN, Hou KP, Liu YS, Qi ZY, Zheng Q, Lu YH, Chen JY, Chen JL, Pao CW, Wang SB, Li YB, Xie SH, Liu FD, Prendergast D, Klebanoff LE, Stavila V, Allendorf MD, Guo J, Zheng LS, Su J, Somorjai GA.

J Am Chem Soc. 2019 Nov 13;141(45):17995-17999. doi: 10.1021/jacs.9b09431. Epub 2019 Oct 29.

5.

Atomic-level engineering and imaging of polypeptoid crystal lattices.

Xuan S, Jiang X, Spencer RK, Li NK, Prendergast D, Balsara NP, Zuckermann RN.

Proc Natl Acad Sci U S A. 2019 Nov 5;116(45):22491-22499. doi: 10.1073/pnas.1909992116. Epub 2019 Oct 21.

6.

A combined multi-reference pump-probe simulation method with application to XUV signatures of ultrafast methyl iodide photodissociation.

Wang H, Odelius M, Prendergast D.

J Chem Phys. 2019 Sep 28;151(12):124106. doi: 10.1063/1.5116816.

PMID:
31575206
7.

Runaway Carbon Dioxide Conversion Leads to Enhanced Uptake in a Nanohybrid Form of Porous Magnesium Borohydride.

Jeong S, Milner PJ, Wan LF, Liu YS, Oktawiec J, Zaia EW, Forse AC, Leick N, Gennett T, Guo J, Prendergast D, Long JR, Urban JJ.

Adv Mater. 2019 Nov;31(44):e1904252. doi: 10.1002/adma.201904252. Epub 2019 Sep 20.

PMID:
31539180
8.

"Ion Solvation Spectra": Free Energy Analysis of Solvation Structures of Multivalent Cations in Aprotic Solvents.

Baskin A, Prendergast D.

J Phys Chem Lett. 2019 Jul 19. doi: 10.1021/acs.jpclett.9b01569. [Epub ahead of print]

PMID:
31322350
9.

Infrared Nanospectroscopy at the Graphene-Electrolyte Interface.

Lu YH, Larson JM, Baskin A, Zhao X, Ashby PD, Prendergast D, Bechtel HA, Kostecki R, Salmeron M.

Nano Lett. 2019 Aug 14;19(8):5388-5393. doi: 10.1021/acs.nanolett.9b01897. Epub 2019 Jul 22.

10.

The purported square ice in bilayer graphene is a nanoscale, monolayer object.

Pascal TA, Schwartz CP, Lawler KV, Prendergast D.

J Chem Phys. 2019 Jun 21;150(23):231101. doi: 10.1063/1.5109468.

PMID:
31228922
11.

Effect of processing and end groups on the crystal structure of polypeptoids studied by cryogenic electron microscopy at atomic length scales.

Jiang X, Xuan S, Kundu J, Prendergast D, Zuckermann RN, Balsara NP.

Soft Matter. 2019 Jun 12;15(23):4723-4736. doi: 10.1039/c9sm00633h.

12.

Understanding the effect of thionation on naphthalene diimide using first-principles predictions of near-edge x-ray absorption fine structure spectra.

Rundel K, Liang Y, Welford A, Prendergast D, McNeill CR.

J Chem Phys. 2019 Mar 14;150(10):104302. doi: 10.1063/1.5084754.

PMID:
30876363
13.

Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides.

Hong J, Gent WE, Xiao P, Lim K, Seo DH, Wu J, Csernica PM, Takacs CJ, Nordlund D, Sun CJ, Stone KH, Passarello D, Yang W, Prendergast D, Ceder G, Toney MF, Chueh WC.

Nat Mater. 2019 Mar;18(3):256-265. doi: 10.1038/s41563-018-0276-1. Epub 2019 Feb 4.

14.

Exploring chemical speciation at electrified interfaces using detailed continuum models.

Baskin A, Prendergast D.

J Chem Phys. 2019 Jan 28;150(4):041725. doi: 10.1063/1.5058159.

PMID:
30709310
15.

Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-Doped NaAlH4.

White JL, Rowberg AJE, Wan LF, Kang S, Ogitsu T, Kolasinski RD, Whaley JA, Baker AA, Lee JRI, Liu YS, Trotochaud L, Guo J, Stavila V, Prendergast D, Bluhm H, Allendorf MD, Wood BC, El Gabaly F.

ACS Appl Mater Interfaces. 2019 Feb 6;11(5):4930-4941. doi: 10.1021/acsami.8b17650. Epub 2019 Jan 25.

PMID:
30630309
16.

Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods.

Gattinoni C, Tsaousis P, Euaruksakul C, Price R, Duncan DA, Pascal T, Prendergast D, Held G, Michaelides A.

Langmuir. 2019 Jan 29;35(4):882-893. doi: 10.1021/acs.langmuir.8b03528. Epub 2019 Jan 18.

PMID:
30607957
17.

Probing the electric field-induced doping mechanism in YBa2Cu3O7 using computed Cu K-edge x-ray absorption spectra.

Poloni R, Mariano AL, Prendergast D, Garcia-Barriocanal J.

J Chem Phys. 2018 Dec 21;149(23):234706. doi: 10.1063/1.5055283.

PMID:
30579294
18.

Cooperative adsorption of carbon disulfide in diamine-appended metal-organic frameworks.

McGuirk CM, Siegelman RL, Drisdell WS, Runčevski T, Milner PJ, Oktawiec J, Wan LF, Su GM, Jiang HZH, Reed DA, Gonzalez MI, Prendergast D, Long JR.

Nat Commun. 2018 Dec 3;9(1):5133. doi: 10.1038/s41467-018-07458-6.

19.

Molecular-Scale Structure of Electrode-Electrolyte Interfaces: The Case of Platinum in Aqueous Sulfuric Acid.

Wu CH, Pascal TA, Baskin A, Wang H, Fang HT, Liu YS, Lu YH, Guo J, Prendergast D, Salmeron MB.

J Am Chem Soc. 2018 Nov 28;140(47):16237-16244. doi: 10.1021/jacs.8b09743. Epub 2018 Nov 12.

PMID:
30369234
20.

Financial hardship and risk of suicide among U.S. Army personnel.

Goodin CA, Prendergast DM, Pruitt LD, Smolenski DJ, Wilson NY, Skopp N, Hoyt T.

Psychol Serv. 2019 May;16(2):286-292. doi: 10.1037/ser0000201. Epub 2018 Oct 25.

PMID:
30359074
21.

Fundamental understanding of chemical processes in extreme ultraviolet resist materials.

Kostko O, Xu B, Ahmed M, Slaughter DS, Ogletree DF, Closser KD, Prendergast DG, Naulleau P, Olynick DL, Ashby PD, Liu Y, Hinsberg WD, Wallraff GM.

J Chem Phys. 2018 Oct 21;149(15):154305. doi: 10.1063/1.5046521.

22.

Evaluation of three commercial PCR kits for the direct detection of Mycobacterium avium subsp. paratuberculosis (MAP) in bovine faeces.

Prendergast DM, Pearce RA, Yearsley D, Ramovic E, Egan J.

Vet J. 2018 Nov;241:52-57. doi: 10.1016/j.tvjl.2018.09.013. Epub 2018 Sep 27.

PMID:
30340660
23.

Nanostructured Metal Hydrides for Hydrogen Storage.

Schneemann A, White JL, Kang S, Jeong S, Wan LF, Cho ES, Heo TW, Prendergast D, Urban JJ, Wood BC, Allendorf MD, Stavila V.

Chem Rev. 2018 Nov 28;118(22):10775-10839. doi: 10.1021/acs.chemrev.8b00313. Epub 2018 Oct 2.

PMID:
30277071
24.

Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO3.

Barnes TA, Wan LF, Kent PRC, Prendergast D.

Phys Chem Chem Phys. 2018 Oct 3;20(38):24877-24884. doi: 10.1039/c8cp05511d.

PMID:
30232496
25.

Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks.

Kundu J, Stilck JF, Lee JH, Neaton JB, Prendergast D, Whitelam S.

Phys Rev Lett. 2018 Jul 6;121(1):015701. doi: 10.1103/PhysRevLett.121.015701.

PMID:
30028153
26.

Solution-Based, Template-Assisted Realization of Large-Scale Graphitic ZnO.

Tom KB, Lin S, Wan LF, Wang J, Ahlm N, N'Diaye AT, Bustillo K, Huang J, Liu Y, Lou S, Chen R, Yan S, Wu H, Jin D, Yuan H, Prendergast D, Yao J.

ACS Nano. 2018 Aug 28;12(8):7554-7561. doi: 10.1021/acsnano.8b03835. Epub 2018 Aug 15.

PMID:
30011187
27.

Mapping DNA damage-dependent genetic interactions in yeast via party mating and barcode fusion genetics.

Díaz-Mejía JJ, Celaj A, Mellor JC, Coté A, Balint A, Ho B, Bansal P, Shaeri F, Gebbia M, Weile J, Verby M, Karkhanina A, Zhang Y, Wong C, Rich J, Prendergast D, Gupta G, Öztürk S, Durocher D, Brown GW, Roth FP.

Mol Syst Biol. 2018 May 28;14(5):e7985. doi: 10.15252/msb.20177985.

28.

Mapping Catalytically Relevant Edge Electronic States of MoS2.

Parija A, Choi YH, Liu Z, Andrews JL, De Jesus LR, Fakra SC, Al-Hashimi M, Batteas JD, Prendergast D, Banerjee S.

ACS Cent Sci. 2018 Apr 25;4(4):493-503. doi: 10.1021/acscentsci.8b00042. Epub 2018 Apr 3.

29.

Corpus callosum shape and morphology in youth across the psychosis Spectrum.

Prendergast DM, Karlsgodt KH, Fales CL, Ardekani BA, Szeszko PR.

Schizophr Res. 2018 Sep;199:266-273. doi: 10.1016/j.schres.2018.04.008. Epub 2018 Apr 13.

PMID:
29656909
30.

Soft X-Ray Second Harmonic Generation as an Interfacial Probe.

Lam RK, Raj SL, Pascal TA, Pemmaraju CD, Foglia L, Simoncig A, Fabris N, Miotti P, Hull CJ, Rizzuto AM, Smith JW, Mincigrucci R, Masciovecchio C, Gessini A, Allaria E, De Ninno G, Diviacco B, Roussel E, Spampinati S, Penco G, Di Mitri S, Trovò M, Danailov M, Christensen ST, Sokaras D, Weng TC, Coreno M, Poletto L, Drisdell WS, Prendergast D, Giannessi L, Principi E, Nordlund D, Saykally RJ, Schwartz CP.

Phys Rev Lett. 2018 Jan 12;120(2):023901. doi: 10.1103/PhysRevLett.120.023901.

31.

Theory-driven design of high-valence metal sites for water oxidation confirmed using in situ soft X-ray absorption.

Zheng X, Zhang B, De Luna P, Liang Y, Comin R, Voznyy O, Han L, García de Arquer FP, Liu M, Dinh CT, Regier T, Dynes JJ, He S, Xin HL, Peng H, Prendergast D, Du X, Sargent EH.

Nat Chem. 2018 Feb;10(2):149-154. doi: 10.1038/nchem.2886. Epub 2017 Nov 20.

PMID:
29359759
32.

Universal Relationship between Molecular Structure and Crystal Structure in Peptoid Polymers and Prevalence of the cis Backbone Conformation.

Greer DR, Stolberg MA, Kundu J, Spencer RK, Pascal T, Prendergast D, Balsara NP, Zuckermann RN.

J Am Chem Soc. 2018 Jan 17;140(2):827-833. doi: 10.1021/jacs.7b11891. Epub 2018 Jan 8.

33.

Strain and Bond Length Dynamics upon Growth and Transfer of Graphene by NEXAFS Spectroscopy from First-Principles and Experiment.

Rojas WY, Winter AD, Grote J, Kim SS, Naik RR, Williams AD, Weiland C, Principe E, Fischer DA, Banerjee S, Prendergast D, Campo EM.

Langmuir. 2018 Jan 30;34(4):1783-1794. doi: 10.1021/acs.langmuir.7b03260. Epub 2018 Jan 18.

PMID:
29286662
34.

Molecular understanding of polyelectrolyte binders that actively regulate ion transport in sulfur cathodes.

Li L, Pascal TA, Connell JG, Fan FY, Meckler SM, Ma L, Chiang YM, Prendergast D, Helms BA.

Nat Commun. 2017 Dec 22;8(1):2277. doi: 10.1038/s41467-017-02410-6.

35.

Divergent Patterns of Mitochondrial and Nuclear Ancestry Are Associated with the Risk for Preterm Birth.

Crawford N, Prendergast D, Oehlert JW, Shaw GM, Stevenson DK, Rappaport N, Sirota M, Tishkoff SA, Sondheimer N.

J Pediatr. 2018 Mar;194:40-46.e4. doi: 10.1016/j.jpeds.2017.10.052. Epub 2017 Dec 14.

36.

Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces.

Pham TA, Zhang X, Wood BC, Prendergast D, Ptasinska S, Ogitsu T.

J Phys Chem Lett. 2018 Jan 4;9(1):194-203. doi: 10.1021/acs.jpclett.7b01382. Epub 2017 Dec 26.

PMID:
29240441
37.

Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides.

Gent WE, Lim K, Liang Y, Li Q, Barnes T, Ahn SJ, Stone KH, McIntire M, Hong J, Song JH, Li Y, Mehta A, Ermon S, Tyliszczak T, Kilcoyne D, Vine D, Park JH, Doo SK, Toney MF, Yang W, Prendergast D, Chueh WC.

Nat Commun. 2017 Dec 12;8(1):2091. doi: 10.1038/s41467-017-02041-x.

38.

Assessment of Ambient Exposures Firefighters Encounter While at the Fire Station: An Exploratory Study.

Sparer EH, Prendergast DP, Apell JN, Bartzak MR, Wagner GR, Adamkiewicz G, Hart JE, Sorensen G.

J Occup Environ Med. 2017 Oct;59(10):1017-1023. doi: 10.1097/JOM.0000000000001114.

39.

Atomically Thin Interfacial Suboxide Key to Hydrogen Storage Performance Enhancements of Magnesium Nanoparticles Encapsulated in Reduced Graphene Oxide.

Wan LF, Liu YS, Cho ES, Forster JD, Jeong S, Wang HT, Urban JJ, Guo J, Prendergast D.

Nano Lett. 2017 Sep 13;17(9):5540-5545. doi: 10.1021/acs.nanolett.7b02280. Epub 2017 Aug 3.

PMID:
28762272
40.

Erratum: "Electrokinetic detection for x-ray spectra of weakly interacting liquids: n-decane and n-nonane" [J. Chem. Phys. 140, 234202 (2014)].

Lam RK, Shih O, Smith JW, Sheardy AT, Rizzuto AM, Prendergast D, Saykally RJ.

J Chem Phys. 2017 Jun 28;146(24):249902. doi: 10.1063/1.4990053. No abstract available.

PMID:
28668025
41.

Ultrafast carrier thermalization and trapping in silicon-germanium alloy probed by extreme ultraviolet transient absorption spectroscopy.

Zürch M, Chang HT, Kraus PM, Cushing SK, Borja LJ, Gandman A, Kaplan CJ, Oh MH, Prell JS, Prendergast D, Pemmaraju CD, Neumark DM, Leone SR.

Struct Dyn. 2017 Jun 6;4(4):044029. doi: 10.1063/1.4985056. eCollection 2017 Jul.

42.

Evaluation of Multivalent Cation Insertion in Single- and Double-Layered Polymorphs of V2O5.

Parija A, Prendergast D, Banerjee S.

ACS Appl Mater Interfaces. 2017 Jul 19;9(28):23756-23765. doi: 10.1021/acsami.7b05556. Epub 2017 Jul 3.

PMID:
28644001
43.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium.

Zürch M, Chang HT, Borja LJ, Kraus PM, Cushing SK, Gandman A, Kaplan CJ, Oh MH, Prell JS, Prendergast D, Pemmaraju CD, Neumark DM, Leone SR.

Nat Commun. 2017 Jun 1;8:15734. doi: 10.1038/ncomms15734.

44.

Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy.

Altman AB, Pemmaraju CD, Alayoglu S, Arnold J, Booth CH, Braun A, Bunker CE, Herve A, Minasian SG, Prendergast D, Shuh DK, Tyliszczak T.

Inorg Chem. 2017 May 15;56(10):5710-5719. doi: 10.1021/acs.inorgchem.7b00280. Epub 2017 May 4.

45.

The importance of inner-shell electronic structure for enhancing the EUV absorption of photoresist materials.

Closser KD, Ogletree DF, Naulleau P, Prendergast D.

J Chem Phys. 2017 Apr 28;146(16):164106. doi: 10.1063/1.4981815.

PMID:
28456207
46.

Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction.

Attar AR, Bhattacherjee A, Pemmaraju CD, Schnorr K, Closser KD, Prendergast D, Leone SR.

Science. 2017 Apr 7;356(6333):54-59. doi: 10.1126/science.aaj2198. Epub 2017 Apr 6.

PMID:
28386006
47.

Coordination Characteristics of Uranyl BBP Complexes: Insights from an Electronic Structure Analysis.

Pemmaraju CD, Copping R, Smiles DE, Shuh DK, Grønbech-Jensen N, Prendergast D, Canning A.

ACS Omega. 2017 Mar 21;2(3):1055-1062. doi: 10.1021/acsomega.6b00459. eCollection 2017 Mar 31.

48.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Liang Y, Vinson J, Pemmaraju S, Drisdell WS, Shirley EL, Prendergast D.

Phys Rev Lett. 2017 Mar 3;118(9):096402. doi: 10.1103/PhysRevLett.118.096402. Epub 2017 Mar 3.

49.

Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects.

Pascal TA, Villaluenga I, Wujcik KH, Devaux D, Jiang X, Wang DR, Balsara N, Prendergast D.

Nano Lett. 2017 Apr 12;17(4):2517-2523. doi: 10.1021/acs.nanolett.7b00249. Epub 2017 Mar 17.

50.

Determining crystal phase purity in c-BP through X-ray absorption spectroscopy.

Huber SP, Medvedev VV, Gullikson E, Padavala B, Edgar JH, van de Kruijs RW, Bijkerk F, Prendergast D.

Phys Chem Chem Phys. 2017 Mar 22;19(12):8174-8187. doi: 10.1039/c6cp06967c.

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