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Items: 1 to 50 of 135

1.

A Linear-Scaling Method for Noncovalent Interactions: An Efficient Combination of Absolutely Localized Molecular Orbitals and a Local Random Phase Approximation Approach.

Shaw RA, Hill JG.

J Chem Theory Comput. 2019 Oct 8;15(10):5352-5369. doi: 10.1021/acs.jctc.9b00615. Epub 2019 Sep 10.

2.

Extensive Soot Compaction by Cloud Processing from Laboratory and Field Observations.

Bhandari J, China S, Chandrakar KK, Kinney G, Cantrell W, Shaw RA, Mazzoleni LR, Girotto G, Sharma N, Gorkowski K, Gilardoni S, Decesari S, Facchini MC, Zanca N, Pavese G, Esposito F, Dubey MK, Aiken AC, Chakrabarty RK, Moosmüller H, Onasch TB, Zaveri RA, Scarnato BV, Fialho P, Mazzoleni C.

Sci Rep. 2019 Aug 14;9(1):11824. doi: 10.1038/s41598-019-48143-y.

3.

Dispersion Aerosol Indirect Effect in Turbulent Clouds: Laboratory Measurements of Effective Radius.

Chandrakar KK, Cantrell W, Kostinski AB, Shaw RA.

Geophys Res Lett. 2018;45(19):10738-10745. doi: 10.1029/2018GL079194. Epub 2018 Sep 28.

4.

Influence of Turbulent Fluctuations on Cloud Droplet Size Dispersion and Aerosol Indirect Effects.

Chandrakar KK, Cantrell W, Shaw RA.

J Atmos Sci. 2018 Sep;75(9):3191-3209. doi: 10.1175/JAS-D-18-0006.1. Epub 2018 Aug 24.

5.

Fine-Scale Droplet Clustering in Atmospheric Clouds: 3D Radial Distribution Function from Airborne Digital Holography.

Larsen ML, Shaw RA, Kostinski AB, Glienke S.

Phys Rev Lett. 2018 Nov 16;121(20):204501. doi: 10.1103/PhysRevLett.121.204501.

PMID:
30500255
6.

Transmission infrared spectroscopy for rapid quantification of fat, protein, and lactose concentrations in human milk.

Elsohaby I, McClure JT, Riley CB, Bryanton J, Bigsby K, Shaw RA.

J Perinatol. 2018 Dec;38(12):1685-1693. doi: 10.1038/s41372-018-0233-5. Epub 2018 Oct 1.

PMID:
30275544
7.

Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin.

Singh SK, Joshi PR, Shaw RA, Hill JG, Das A.

Phys Chem Chem Phys. 2018 Jul 11;20(27):18361-18373. doi: 10.1039/c8cp00655e.

PMID:
29942975
8.

Nonthermal ice nucleation observed at distorted contact lines of supercooled water drops.

Yang F, Cruikshank O, He W, Kostinski A, Shaw RA.

Phys Rev E. 2018 Feb;97(2-1):023103. doi: 10.1103/PhysRevE.97.023103.

PMID:
29548219
9.

Centrifugal ultrafiltration of human serum for improving immunoglobulin A quantification using attenuated total reflectance infrared spectroscopy.

Elsohaby I, McClure JT, Riley CB, Bryanton J, Bigsby K, Shaw RA.

J Pharm Biomed Anal. 2018 Feb 20;150:413-419. doi: 10.1016/j.jpba.2017.12.031. Epub 2017 Dec 21.

PMID:
29288967
10.

Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials.

Shaw RA, Hill JG.

J Chem Phys. 2017 Aug 21;147(7):074108. doi: 10.1063/1.4986887.

11.

Application of laboratory and portable attenuated total reflectance infrared spectroscopic approaches for rapid quantification of alpaca serum immunoglobulin G.

Elsohaby I, Burns JB, Riley CB, Shaw RA, McClure JT.

PLoS One. 2017 Jun 26;12(6):e0179644. doi: 10.1371/journal.pone.0179644. eCollection 2017.

12.

Approaching the Hartree-Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis Sets.

Shaw RA, Hill JG.

J Chem Theory Comput. 2017 Apr 11;13(4):1691-1698. doi: 10.1021/acs.jctc.7b00140. Epub 2017 Mar 8.

13.

Aerosol indirect effect from turbulence-induced broadening of cloud-droplet size distributions.

Chandrakar KK, Cantrell W, Chang K, Ciochetto D, Niedermeier D, Ovchinnikov M, Shaw RA, Yang F.

Proc Natl Acad Sci U S A. 2016 Dec 13;113(50):14243-14248. Epub 2016 Nov 28.

14.

Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy.

Shaw RA, Hill JG, Legon AC.

J Phys Chem A. 2016 Oct 27;120(42):8461-8468. doi: 10.1021/acs.jpca.6b08945. Epub 2016 Oct 12.

PMID:
27700095
15.

A Vocabulary Approach to Partial Streamline Matching and Exploratory Flow Visualization.

Tao J, Wang C, Shene CK, Shaw RA.

IEEE Trans Vis Comput Graph. 2016 May;22(5):1503-16. doi: 10.1109/TVCG.2015.2440252.

PMID:
27045908
16.

Effect of Opioids vs NSAIDs and Larger vs Smaller Chest Tube Size on Pain Control and Pleurodesis Efficacy Among Patients With Malignant Pleural Effusion: The TIME1 Randomized Clinical Trial.

Rahman NM, Pepperell J, Rehal S, Saba T, Tang A, Ali N, West A, Hettiarachchi G, Mukherjee D, Samuel J, Bentley A, Dowson L, Miles J, Ryan CF, Yoneda KY, Chauhan A, Corcoran JP, Psallidas I, Wrightson JM, Hallifax R, Davies HE, Lee YC, Dobson M, Hedley EL, Seaton D, Russell N, Chapman M, McFadyen BM, Shaw RA, Davies RJ, Maskell NA, Nunn AJ, Miller RF.

JAMA. 2015 Dec 22-29;314(24):2641-53. doi: 10.1001/jama.2015.16840. Erratum in: JAMA. 2016 Feb 16;315(7):707. JAMA. 2016 Apr 19;315(15):1661.

PMID:
26720026
17.

Quantification of bovine immunoglobulin G using transmission and attenuated total reflectance infrared spectroscopy.

Elsohaby I, McClure JT, Riley CB, Shaw RA, Keefe GP.

J Vet Diagn Invest. 2016 Jan;28(1):30-7. doi: 10.1177/1040638715613101. Epub 2015 Dec 23.

PMID:
26699522
18.

Holographic measurements of inhomogeneous cloud mixing at the centimeter scale.

Beals MJ, Fugal JP, Shaw RA, Lu J, Spuler SM, Stith JL.

Science. 2015 Oct 2;350(6256):87-90. doi: 10.1126/science.aab0751.

19.

A rapid field test for the measurement of bovine serum immunoglobulin G using attenuated total reflectance infrared spectroscopy.

Elsohaby I, Hou S, McClure JT, Riley CB, Shaw RA, Keefe GP.

BMC Vet Res. 2015 Aug 20;11:218. doi: 10.1186/s12917-015-0539-x.

20.

Exploration of attenuated total reflectance mid-infrared spectroscopy and multivariate calibration to measure immunoglobulin G in human sera.

Hou S, Riley CB, Mitchell CA, Shaw RA, Bryanton J, Bigsby K, McClure JT.

Talanta. 2015 Sep 1;142:110-9. doi: 10.1016/j.talanta.2015.04.010. Epub 2015 Apr 23.

PMID:
26003699
21.

Nucleation at the contact line observed on nanotextured surfaces.

Gurganus CW, Charnawskas JC, Kostinski AB, Shaw RA.

Phys Rev Lett. 2014 Dec 5;113(23):235701. Epub 2014 Dec 2.

PMID:
25526136
22.

Use of Fourier-transform infrared spectroscopy to quantify immunoglobulin G concentration and an analysis of the effect of signalment on levels in canine serum.

Seigneur A, Hou S, Shaw RA, McClure J, Gelens H, Riley CB.

Vet Immunol Immunopathol. 2015 Jan 15;163(1-2):8-15. doi: 10.1016/j.vetimm.2014.10.011. Epub 2014 Nov 6.

PMID:
25467886
23.

Measurement of serum immunoglobulin G in dairy cattle using Fourier-transform infrared spectroscopy: a reagent free approach.

Elsohaby I, Riley CB, Hou S, McClure JT, Shaw RA, Keefe GP.

Vet J. 2014 Dec;202(3):510-5. doi: 10.1016/j.tvjl.2014.09.014. Epub 2014 Sep 20.

PMID:
25438729
24.

The Pre-Anschluss Vienna School of Medicine--The surgeons: Ignaz Semmelweis (1818-1865), Theodor Billroth (1829-1894) and Robert Bárány (1876-1936).

Shaw LB, Shaw RA.

J Med Biogr. 2016 Feb;24(1):11-22. doi: 10.1177/0967772014532889. Epub 2014 Jul 22.

PMID:
25052153
25.

The pre-Anschluss Vienna School of Medicine - the physicians: Sigmund Freud (1856-1939), Julius Wagner-Jauregg (1857-1940) and Karel Wenckebach (1864-1940).

Shaw LB, Shaw RA.

J Med Biogr. 2016 May;24(2):158-68. doi: 10.1177/0967772014534804. Epub 2014 Jul 22.

PMID:
25052152
26.

The Pre-Anschluss Vienna School of Medicine - The medical scientists: Karl Landsteiner (1868-1943) and Otto Loewi (1873-1961).

Shaw LB, Shaw RA.

J Med Biogr. 2016 Aug;24(3):289-301. doi: 10.1177/0967772014533062. Epub 2014 Jul 22.

PMID:
25052151
27.

Immunoglobulin G measurement in blood plasma using infrared spectroscopy.

Hou S, McClure JT, Shaw RA, Riley CB.

Appl Spectrosc. 2014;68(4):466-74. doi: 10.1366/12-06869.

PMID:
24694703
28.

Electrophysiological characterization of rod and cone responses in the baboon nonhuman primate model.

Stuck MW, Conley SM, Shaw RA, Wolf R, Naash MI.

Adv Exp Med Biol. 2014;801:67-73. doi: 10.1007/978-1-4614-3209-8_9.

PMID:
24664682
29.

Use of Fourier-transform infrared spectroscopy to quantify immunoglobulin G concentrations in alpaca serum.

Burns J, Hou S, Riley CB, Shaw RA, Jewett N, McClure JT.

J Vet Intern Med. 2014 Mar-Apr;28(2):639-45. doi: 10.1111/jvim.12258. Epub 2014 Jan 13.

30.

Fulminant hepatitis following chemotherapy treatment for breast cancer.

Shoushtari AH, Shaw RA.

BMJ Case Rep. 2013 Jan 9;2013. pii: bcr2012007017. doi: 10.1136/bcr-2012-007017.

31.

Feasibility of infrared spectroscopy with pattern recognition techniques to identify a subpopulation of mares at risk of producing foals diagnosed with failure of transfer of passive immunity.

Riley CB, McClure JT, Low-Ying S, Dolenko BK, Somorjai RL, Shaw RA.

Aust Vet J. 2012 Oct;90(10):387-91. doi: 10.1111/j.1751-0813.2012.00979.x. Epub 2012 Aug 23.

PMID:
23004229
32.

Improved particle size estimation in digital holography via sign matched filtering.

Lu J, Shaw RA, Yang W.

Opt Express. 2012 Jun 4;20(12):12666-74. doi: 10.1364/OE.20.012666.

PMID:
22714295
33.

Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.

Beşli S, Coles SJ, Davies DB, Kılıç A, Shaw RA.

Dalton Trans. 2011 May 21;40(19):5307-15. doi: 10.1039/c1dt10073d. Epub 2011 Apr 7.

PMID:
21475740
34.

Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.

Beşli S, Coles SJ, Davies DB, Kılıç A, Okutan E, Shaw RA, Eçik ET, Çiftçi GY.

Dalton Trans. 2011 May 14;40(18):4959-69. doi: 10.1039/c1dt10176e. Epub 2011 Mar 29.

PMID:
21445437
35.

Metabolic fingerprinting of biofluids by infrared spectroscopy: modeling and optimization of flow rates for laminar fluid diffusion interface sample preconditioning.

Schattka B, Alexander M, Ying SL, Man A, Shaw RA.

Anal Chem. 2011 Jan 15;83(2):555-62. doi: 10.1021/ac102338n. Epub 2010 Dec 23.

PMID:
21182305
36.

Field based speciation of arsenic in UK and Argentinean water samples.

Watts MJ, O'Reilly J, Marcilla AL, Shaw RA, Ward NI.

Environ Geochem Health. 2010 Dec;32(6):479-90. doi: 10.1007/s10653-010-9321-y. Epub 2010 May 20.

PMID:
20490622
37.

Clustering of charged inertial particles in turbulence.

Lu J, Nordsiek H, Saw EW, Shaw RA.

Phys Rev Lett. 2010 May 7;104(18):184505. Epub 2010 May 7.

PMID:
20482181
38.

Arsenic contamination of natural waters in San Juan and La Pampa, Argentina.

O'Reilly J, Watts MJ, Shaw RA, Marcilla AL, Ward NI.

Environ Geochem Health. 2010 Dec;32(6):491-515. doi: 10.1007/s10653-010-9317-7. Epub 2010 May 18.

PMID:
20480386
39.

Atmospheric science. Can we understand clouds without turbulence?

Bodenschatz E, Malinowski SP, Shaw RA, Stratmann F.

Science. 2010 Feb 19;327(5968):970-1. doi: 10.1126/science.1185138. No abstract available.

PMID:
20167779
40.

Toward point-of-care diagnostic metabolic fingerprinting: quantification of plasma creatinine by infrared spectroscopy of microfluidic-preprocessed samples.

Shaw RA, Rigatto C, Reslerova M, Ying SL, Man A, Schattka B, Battrell CF, Matthewson J, Mansfield C.

Analyst. 2009 Jun;134(6):1224-31. doi: 10.1039/b821442e. Epub 2009 Mar 11.

PMID:
19475152
41.

Monitoring angiogenesis noninvasively with near-infrared spectroscopy.

Dunn JF, Zhang Q, Wu Y, Srinivasan S, Smith MR, Shaw RA.

J Biomed Opt. 2008 Nov-Dec;13(6):064043. doi: 10.1117/1.3000431.

42.

Inertial clustering of particles in high-Reynolds-number turbulence.

Saw EW, Shaw RA, Ayyalasomayajula S, Chuang PY, Gylfason A.

Phys Rev Lett. 2008 May 30;100(21):214501. Epub 2008 May 28.

PMID:
18518606
43.

The effect of elevated dietary cholesterol on pulmonary surfactant function in adolescent mice.

McCrae KC, Weltman B, Alyward S, Shaw RA, Sowa MG, Unruh HW, Rand TG, Thliveris JA, Scott JE.

Pediatr Pulmonol. 2008 May;43(5):426-34. doi: 10.1002/ppul.20772.

PMID:
18366117
44.

Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O].

Coles SJ, Davies DB, Hursthouse MB, Huth SL, Kiliç A, Light ME, Odlyha M, Rutherford JS, Shaw RA, Uslu A.

Chem Cent J. 2007 Jul 18;1:20.

46.

A spiro to ansa rearrangement in cyclotriphosphazene derivatives.

Beşli S, Coles SJ, Davies DB, Hursthouse MB, Kiliç A, Shaw RA.

Dalton Trans. 2007 Jul 14;(26):2792-801. Epub 2007 May 4.

PMID:
17592596
47.

DNA fragmentation in developing lung fibroblasts exposed to Stachybotrys chartarum (atra) toxins.

McCrae KC, Rand TG, Shaw RA, Mantsch HH, Sowa MG, Thliveris JA, Scott JE.

Pediatr Pulmonol. 2007 Jul;42(7):592-9.

PMID:
17534970
48.

Stereogenic properties of spiranes combined with four equivalent conventional centres of chirality.

Coles SJ, Davies DB, Eaton RJ, Hursthouse MB, Kiliç A, Shaw RA, Uslu A.

Dalton Trans. 2007 May 28;(20):2040-7. Epub 2007 Mar 23.

PMID:
17502937
49.

Identification of infrared absorption spectral characteristics of synovial fluid of horses with osteochondrosis of the tarsocrural joint.

Vijarnsorn M, Riley CB, Ryan DA, Rose PL, Shaw RA.

Am J Vet Res. 2007 May;68(5):517-23.

PMID:
17472451
50.

Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene.

Coles SJ, Davies DB, Hacivelioğlu F, Hursthouse MB, Ibişoğlu H, Kiliç A, Shaw RA.

Acta Crystallogr C. 2007 Mar;63(Pt 3):o152-6. Epub 2007 Feb 10.

PMID:
17339718

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