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Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments.

The journal of physical chemistry letters

Morawietz T, Urbina AS, Wise PK, Wu X, Lu W, Ben-Amotz D, Markland TE.
PMID: 31549833
J Phys Chem Lett. 2019 Oct 17;10(20):6067-6073. doi: 10.1021/acs.jpclett.9b01781. Epub 2019 Sep 27.

Molecules with an excess number of hydrogen-bonding partners play a crucial role in fundamental chemical processes, ranging from anomalous diffusion in supercooled water to transport of aqueous proton defects and ordering of water around hydrophobic solutes. Here we show...

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Morawietz T, Urbina AS, Wise PK, et al. Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments. J Phys Chem Lett. 2019;10(20):6067-6073doi: 10.1021/acs.jpclett.9b01781.
Morawietz, T., Urbina, A. S., Wise, P. K., Wu, X., Lu, W., Ben-Amotz, D., & Markland, T. E. (2019). Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments. The journal of physical chemistry letters, 10(20), 6067-6073. https://doi.org/10.1021/acs.jpclett.9b01781
Morawietz, Tobias, et al. "Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments." The journal of physical chemistry letters vol. 10,20 (2019): 6067-6073. doi: https://doi.org/10.1021/acs.jpclett.9b01781
Morawietz T, Urbina AS, Wise PK, Wu X, Lu W, Ben-Amotz D, Markland TE. Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments. J Phys Chem Lett. 2019 Oct 17;10(20):6067-6073. doi: 10.1021/acs.jpclett.9b01781. Epub 2019 Sep 27. PMID: 31549833.
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Laying the Foundation for Bladder Health Promotion in Women and Girls.

Urology

Smith AL, Rickey LM, Brady SS, Fok CS, Lowder JL, Markland AD, Mueller ER, Sutcliffe S, Bavendam TG, Brubaker L.
PMID: 32197984
Urology. 2021 Apr;150:227-233. doi: 10.1016/j.urology.2020.03.011. Epub 2020 Mar 18.

Prevention strategies have been effective in many areas of human health, yet have not been utilized for lower urinary tract symptoms (LUTS) or bladder health (BH). This commentary outlines LUTS prevention research initiatives underway within the NIH-sponsored Prevention of...

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Smith AL, Rickey LM, Brady SS, et al. Laying the Foundation for Bladder Health Promotion in Women and Girls. Urology. 2020;150:227-233doi: 10.1016/j.urology.2020.03.011.
Smith, A. L., Rickey, L. M., Brady, S. S., Fok, C. S., Lowder, J. L., Markland, A. D., Mueller, E. R., Sutcliffe, S., Bavendam, T. G., Brubaker, L. (2021). Laying the Foundation for Bladder Health Promotion in Women and Girls. Urology, 150227-233. https://doi.org/10.1016/j.urology.2020.03.011
Smith, Ariana L, et al. "Laying the Foundation for Bladder Health Promotion in Women and Girls." Urology vol. 150 (2021): 227-233. doi: https://doi.org/10.1016/j.urology.2020.03.011
Smith AL, Rickey LM, Brady SS, Fok CS, Lowder JL, Markland AD, Mueller ER, Sutcliffe S, Bavendam TG, Brubaker L. Laying the Foundation for Bladder Health Promotion in Women and Girls. Urology. 2021 Apr;150:227-233. doi: 10.1016/j.urology.2020.03.011. Epub 2020 Mar 18. PMID: 32197984; PMCID: PMC7501176.
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Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals.

The Journal of chemical physics

Mao Y, Montoya-Castillo A, Markland TE.
PMID: 31675855
J Chem Phys. 2019 Oct 28;151(16):164114. doi: 10.1063/1.5125275.

Diabatic states and the couplings between them are important for quantifying, elucidating, and predicting the rates and mechanisms of many chemical and biochemical processes. Here, we propose and investigate approaches to accurately compute diabatic couplings from density functional theory...

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Mao Y, Montoya-Castillo A, Markland TE. Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals. J Chem Phys. 2019;151(16):164114doi: 10.1063/1.5125275.
Mao, Y., Montoya-Castillo, A., & Markland, T. E. (2019). Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals. The Journal of chemical physics, 151(16), 164114. https://doi.org/10.1063/1.5125275
Mao, Yuezhi, et al. "Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals." The Journal of chemical physics vol. 151,16 (2019): 164114. doi: https://doi.org/10.1063/1.5125275
Mao Y, Montoya-Castillo A, Markland TE. Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals. J Chem Phys. 2019 Oct 28;151(16):164114. doi: 10.1063/1.5125275. PMID: 31675855.
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The development of a noninvasive behavioral test for assessment of goat-human interactions.

Translational animal science

Markland ML, Goering MJ, Mumm JM, Jones CK, Crane AR, Hulbert LE.
PMID: 32704958
Transl Anim Sci. 2019 Dec 16;3:1812. doi: 10.1093/tas/txz066. eCollection 2019 Dec.

The objective was to develop a protocol for a noninvasive behavioral test to assess goat-human interactions. Boer goats (

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Markland ML, Goering MJ, Mumm JM, et al. The development of a noninvasive behavioral test for assessment of goat-human interactions. Transl Anim Sci. 2019;3:1812doi: 10.1093/tas/txz066.
Markland, M. L., Goering, M. J., Mumm, J. M., Jones, C. K., Crane, A. R., & Hulbert, L. E. (2019). The development of a noninvasive behavioral test for assessment of goat-human interactions. Translational animal science, 31812. https://doi.org/10.1093/tas/txz066
Markland, M L, et al. "The development of a noninvasive behavioral test for assessment of goat-human interactions." Translational animal science vol. 3 (2019): 1812. doi: https://doi.org/10.1093/tas/txz066
Markland ML, Goering MJ, Mumm JM, Jones CK, Crane AR, Hulbert LE. The development of a noninvasive behavioral test for assessment of goat-human interactions. Transl Anim Sci. 2019 Dec 16;3:1812. doi: 10.1093/tas/txz066. eCollection 2019 Dec. PMID: 32704958; PMCID: PMC6999173.
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Lifestyle Factors Are Important Contributors to Subjective Memory Complaints among Patients without Objective Memory Impairment or Positive Neurochemical Biomarkers for Alzheimer's Disease.

Dementia and geriatric cognitive disorders extra

Miley-Akerstedt A, Jelic V, Marklund K, Walles H, Åkerstedt T, Hagman G, Andersson C.
PMID: 30631336
Dement Geriatr Cogn Dis Extra. 2018 Nov 28;8(3):439-452. doi: 10.1159/000493749. eCollection 2018.

BACKGROUND/AIMS: Many patients presenting to a memory disorders clinic for subjective memory complaints do not show objective evidence of decline on neuropsychological data, have nonpathological biomarkers for Alzheimer's disease, and do not develop a neurodegenerative disorder. Lifestyle variables, including...

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Miley-Akerstedt A, Jelic V, Marklund K, et al. Lifestyle Factors Are Important Contributors to Subjective Memory Complaints among Patients without Objective Memory Impairment or Positive Neurochemical Biomarkers for Alzheimer's Disease. Dement Geriatr Cogn Dis Extra. 2018;8(3):439-452doi: 10.1159/000493749.
Miley-Akerstedt, A., Jelic, V., Marklund, K., Walles, H., Åkerstedt, T., Hagman, G., & Andersson, C. (2018). Lifestyle Factors Are Important Contributors to Subjective Memory Complaints among Patients without Objective Memory Impairment or Positive Neurochemical Biomarkers for Alzheimer's Disease. Dementia and geriatric cognitive disorders extra, 8(3), 439-452. https://doi.org/10.1159/000493749
Miley-Akerstedt, Anna, et al. "Lifestyle Factors Are Important Contributors to Subjective Memory Complaints among Patients without Objective Memory Impairment or Positive Neurochemical Biomarkers for Alzheimer's Disease." Dementia and geriatric cognitive disorders extra vol. 8,3 (2018): 439-452. doi: https://doi.org/10.1159/000493749
Miley-Akerstedt A, Jelic V, Marklund K, Walles H, Åkerstedt T, Hagman G, Andersson C. Lifestyle Factors Are Important Contributors to Subjective Memory Complaints among Patients without Objective Memory Impairment or Positive Neurochemical Biomarkers for Alzheimer's Disease. Dement Geriatr Cogn Dis Extra. 2018 Nov 28;8(3):439-452. doi: 10.1159/000493749. eCollection 2018. PMID: 30631336; PMCID: PMC6323368.
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Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ.

Acta crystallographica. Section C, Structural chemistry

Guillet GL, Pitts SL, Sheriff KW, Rucker DN, Rogers AL.
PMID: 31589154
Acta Crystallogr C Struct Chem. 2019 Oct 01;75:1381-1388. doi: 10.1107/S2053229619012038. Epub 2019 Sep 07.

A novel family of four 1-bromo-2,6-bis{[(λ

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Guillet GL, Pitts SL, Sheriff KW, et al. Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ. Acta Crystallogr C Struct Chem. 2019;75:1381-1388doi: 10.1107/S2053229619012038.
Guillet, G. L., Pitts, S. L., Sheriff, K. W., Rucker, D. N., & Rogers, A. L. (2019). Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ. Acta crystallographica. Section C, Structural chemistry, 751381-1388. https://doi.org/10.1107/S2053229619012038
Guillet, Gary L, et al. "Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ." Acta crystallographica. Section C, Structural chemistry vol. 75 (2019): 1381-1388. doi: https://doi.org/10.1107/S2053229619012038
Guillet GL, Pitts SL, Sheriff KW, Rucker DN, Rogers AL. Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ. Acta Crystallogr C Struct Chem. 2019 Oct 01;75:1381-1388. doi: 10.1107/S2053229619012038. Epub 2019 Sep 07. PMID: 31589154.
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Orbital Angular Momentum Coupling in Elastic Photon-Photon Scattering.

Physical review letters

Aboushelbaya R, Glize K, Savin AF, Mayr M, Spiers B, Wang R, Collier J, Marklund M, Trines RMGM, Bingham R, Norreys PA.
PMID: 31573265
Phys Rev Lett. 2019 Sep 13;123(11):113604. doi: 10.1103/PhysRevLett.123.113604.

In this Letter, we investigate the effect of orbital angular momentum (OAM) on elastic photon-photon scattering in a vacuum for the first time. We define exact solutions to the vacuum electromagnetic wave equation which carry OAM. Using those, the...

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Aboushelbaya R, Glize K, Savin AF, et al. Orbital Angular Momentum Coupling in Elastic Photon-Photon Scattering. Phys Rev Lett. 2019;123(11):113604doi: 10.1103/PhysRevLett.123.113604.
Aboushelbaya, R., Glize, K., Savin, A. F., Mayr, M., Spiers, B., Wang, R., Collier, J., Marklund, M., Trines, R. M. G. M., Bingham, R., & Norreys, P. A. (2019). Orbital Angular Momentum Coupling in Elastic Photon-Photon Scattering. Physical review letters, 123(11), 113604. https://doi.org/10.1103/PhysRevLett.123.113604
Aboushelbaya, R, et al. "Orbital Angular Momentum Coupling in Elastic Photon-Photon Scattering." Physical review letters vol. 123,11 (2019): 113604. doi: https://doi.org/10.1103/PhysRevLett.123.113604
Aboushelbaya R, Glize K, Savin AF, Mayr M, Spiers B, Wang R, Collier J, Marklund M, Trines RMGM, Bingham R, Norreys PA. Orbital Angular Momentum Coupling in Elastic Photon-Photon Scattering. Phys Rev Lett. 2019 Sep 13;123(11):113604. doi: 10.1103/PhysRevLett.123.113604. PMID: 31573265.
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Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments.

The journal of physical chemistry letters

Chen MS, Zuehlsdorff TJ, Morawietz T, Isborn CM, Markland TE.
PMID: 32808797
J Phys Chem Lett. 2020 Sep 17;11(18):7559-7568. doi: 10.1021/acs.jpclett.0c02168. Epub 2020 Aug 27.

The excited-state dynamics of chromophores in complex environments determine a range of vital biological and energy capture processes. Time-resolved, multidimensional optical spectroscopies provide a key tool to investigate these processes. Although theory has the potential to decode these spectra...

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Chen MS, Zuehlsdorff TJ, Morawietz T, et al. Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. J Phys Chem Lett. 2020;11(18):7559-7568doi: 10.1021/acs.jpclett.0c02168.
Chen, M. S., Zuehlsdorff, T. J., Morawietz, T., Isborn, C. M., & Markland, T. E. (2020). Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. The journal of physical chemistry letters, 11(18), 7559-7568. https://doi.org/10.1021/acs.jpclett.0c02168
Chen, Michael S, et al. "Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments." The journal of physical chemistry letters vol. 11,18 (2020): 7559-7568. doi: https://doi.org/10.1021/acs.jpclett.0c02168
Chen MS, Zuehlsdorff TJ, Morawietz T, Isborn CM, Markland TE. Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. J Phys Chem Lett. 2020 Sep 17;11(18):7559-7568. doi: 10.1021/acs.jpclett.0c02168. Epub 2020 Aug 27. PMID: 32808797.
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Ubiquitin ligase RNF8 suppresses Notch signaling to regulate mammary development and tumorigenesis.

The Journal of clinical investigation

Li L, Guturi KKN, Gautreau B, Patel PS, Saad A, Morii M, Mateo F, Palomero L, Barbour H, Gomez A, Ng D, Kotlyar M, Pastrello C, Jackson HW, Khokha R, Jurisica I, Affar EB, Raught B, Sanchez O, Alaoui-Jamali M, Pujana MA, Hakem A, Hakem R.
PMID: 34196309
J Clin Invest. 2021 Jul 01;131(13). doi: 10.1172/JCI152424.

No abstract available.

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Li L, Guturi KKN, Gautreau B, et al. Ubiquitin ligase RNF8 suppresses Notch signaling to regulate mammary development and tumorigenesis. J Clin Invest. 2021;131(13)doi: 10.1172/JCI152424.
Li, L., Guturi, K. K. N., Gautreau, B., Patel, P. S., Saad, A., Morii, M., Mateo, F., Palomero, L., Barbour, H., Gomez, A., Ng, D., Kotlyar, M., Pastrello, C., Jackson, H. W., Khokha, R., Jurisica, I., Affar, E. B., Raught, B., Sanchez, O., Alaoui-Jamali, M., Pujana, M. A., Hakem, A., & Hakem, R. (2021). Ubiquitin ligase RNF8 suppresses Notch signaling to regulate mammary development and tumorigenesis. The Journal of clinical investigation, 131(13), . https://doi.org/10.1172/JCI152424
Li, Li, et al. "Ubiquitin ligase RNF8 suppresses Notch signaling to regulate mammary development and tumorigenesis." The Journal of clinical investigation vol. 131,13 (2021). doi: https://doi.org/10.1172/JCI152424
Li L, Guturi KKN, Gautreau B, Patel PS, Saad A, Morii M, Mateo F, Palomero L, Barbour H, Gomez A, Ng D, Kotlyar M, Pastrello C, Jackson HW, Khokha R, Jurisica I, Affar EB, Raught B, Sanchez O, Alaoui-Jamali M, Pujana MA, Hakem A, Hakem R. Ubiquitin ligase RNF8 suppresses Notch signaling to regulate mammary development and tumorigenesis. J Clin Invest. 2021 Jul 01;131(13). doi: 10.1172/JCI152424. PMID: 34196309; PMCID: PMC8245164.
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Diversifying Medical Anthropology.

Medical anthropology

Marsland R, Staples J.
PMID: 33684321
Med Anthropol. 2021 Jan;40(1):1-2. doi: 10.1080/01459740.2020.1854754.

No abstract available.

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Marsland R, Staples J. Diversifying Medical Anthropology. Med Anthropol. 2021;40(1):1-2doi: 10.1080/01459740.2020.1854754.
Marsland, R., & Staples, J. (2021). Diversifying Medical Anthropology. Medical anthropology, 40(1), 1-2. https://doi.org/10.1080/01459740.2020.1854754
Marsland, Rebecca, and Staples, James. "Diversifying Medical Anthropology." Medical anthropology vol. 40,1 (2021): 1-2. doi: https://doi.org/10.1080/01459740.2020.1854754
Marsland R, Staples J. Diversifying Medical Anthropology. Med Anthropol. 2021 Jan;40(1):1-2. doi: 10.1080/01459740.2020.1854754. PMID: 33684321.
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A framework for automated structure elucidation from routine NMR spectra.

Chemical science

Huang Z, Chen MS, Woroch CP, Markland TE, Kanan MW.
PMID: 34976353
Chem Sci. 2021 Nov 09;12(46):15329-15338. doi: 10.1039/d1sc04105c. eCollection 2021 Dec 01.

Methods to automate structure elucidation that can be applied broadly across chemical structure space have the potential to greatly accelerate chemical discovery. NMR spectroscopy is the most widely used and arguably the most powerful method for elucidating structures of...

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Huang Z, Chen MS, Woroch CP, et al. A framework for automated structure elucidation from routine NMR spectra. Chem Sci. 2021;12(46):15329-15338doi: 10.1039/d1sc04105c.
Huang, Z., Chen, M. S., Woroch, C. P., Markland, T. E., & Kanan, M. W. (2021). A framework for automated structure elucidation from routine NMR spectra. Chemical science, 12(46), 15329-15338. https://doi.org/10.1039/d1sc04105c
Huang, Zhaorui, et al. "A framework for automated structure elucidation from routine NMR spectra." Chemical science vol. 12,46 (2021): 15329-15338. doi: https://doi.org/10.1039/d1sc04105c
Huang Z, Chen MS, Woroch CP, Markland TE, Kanan MW. A framework for automated structure elucidation from routine NMR spectra. Chem Sci. 2021 Nov 09;12(46):15329-15338. doi: 10.1039/d1sc04105c. eCollection 2021 Dec 01. PMID: 34976353; PMCID: PMC8635205.
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Longitudinal Follow Up of Immune Responses to SARS-CoV-2 in Health Care Workers in Sweden With Several Different Commercial IgG-Assays, Measurement of Neutralizing Antibodies and CD4.

Frontiers in immunology

Marklund E, Leach S, Nyström K, Lundgren A, Liljeqvist JÅ, Nilsson S, Yilmaz A, Andersson LM, Bemark M, Gisslén M.
PMID: 34795668
Front Immunol. 2021 Nov 02;12:750448. doi: 10.3389/fimmu.2021.750448. eCollection 2021.

BACKGROUND: The risk of SARS-CoV-2 infection among health care workers (HCWs) is a concern, but studies that conclusively determine whether HCWs are over-represented remain limited. Furthermore, methods used to confirm past infection vary and the immunological response after mild...

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Marklund E, Leach S, Nyström K, et al. Longitudinal Follow Up of Immune Responses to SARS-CoV-2 in Health Care Workers in Sweden With Several Different Commercial IgG-Assays, Measurement of Neutralizing Antibodies and CD4. Front Immunol. 2021;12:750448doi: 10.3389/fimmu.2021.750448.
Marklund, E., Leach, S., Nyström, K., Lundgren, A., Liljeqvist, J. �. �., Nilsson, S., Yilmaz, A., Andersson, L. M., Bemark, M., & Gisslén, M. (2021). Longitudinal Follow Up of Immune Responses to SARS-CoV-2 in Health Care Workers in Sweden With Several Different Commercial IgG-Assays, Measurement of Neutralizing Antibodies and CD4. Frontiers in immunology, 12750448. https://doi.org/10.3389/fimmu.2021.750448
Marklund, Emelie, et al. "Longitudinal Follow Up of Immune Responses to SARS-CoV-2 in Health Care Workers in Sweden With Several Different Commercial IgG-Assays, Measurement of Neutralizing Antibodies and CD4." Frontiers in immunology vol. 12 (2021): 750448. doi: https://doi.org/10.3389/fimmu.2021.750448
Marklund E, Leach S, Nyström K, Lundgren A, Liljeqvist JÅ, Nilsson S, Yilmaz A, Andersson LM, Bemark M, Gisslén M. Longitudinal Follow Up of Immune Responses to SARS-CoV-2 in Health Care Workers in Sweden With Several Different Commercial IgG-Assays, Measurement of Neutralizing Antibodies and CD4. Front Immunol. 2021 Nov 02;12:750448. doi: 10.3389/fimmu.2021.750448. eCollection 2021. PMID: 34795668; PMCID: PMC8593002.
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Showing 25 to 36 of 288 entries