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Embedding non-collinear two-component electronic structure in a collinear quantum environment.

The Journal of chemical physics

Hoyer CE, Williams-Young DB, Huang C, Li X.
PMID: 31067887
J Chem Phys. 2019 May 07;150(17):174114. doi: 10.1063/1.5092628.

Spin-containing materials are important for spintronic applications. In this work, we present a computational framework to embed nonrelativistic, two-component calculations in a one-component environment. In this framework, both embedding scalar potential and magnetic field can be included to describe...

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Hoyer CE, Williams-Young DB, Huang C, et al. Embedding non-collinear two-component electronic structure in a collinear quantum environment. J Chem Phys. 2019;150(17):174114doi: 10.1063/1.5092628.
Hoyer, C. E., Williams-Young, D. B., Huang, C., & Li, X. (2019). Embedding non-collinear two-component electronic structure in a collinear quantum environment. The Journal of chemical physics, 150(17), 174114. https://doi.org/10.1063/1.5092628
Hoyer, Chad E, et al. "Embedding non-collinear two-component electronic structure in a collinear quantum environment." The Journal of chemical physics vol. 150,17 (2019): 174114. doi: https://doi.org/10.1063/1.5092628
Hoyer CE, Williams-Young DB, Huang C, Li X. Embedding non-collinear two-component electronic structure in a collinear quantum environment. J Chem Phys. 2019 May 07;150(17):174114. doi: 10.1063/1.5092628. PMID: 31067887.
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Precision medicine research with American Indian and Alaska Native communities: Results of a deliberative engagement with tribal leaders.

Genetics in medicine : official journal of the American College of Medical Genetics

Trinidad SB, Blacksher E, Woodbury RB, Hopkins SE, Burke W, Woodahl EL, Boyer BB, Hiratsuka VY.
PMID: 34906504
Genet Med. 2021 Nov 30; doi: 10.1016/j.gim.2021.11.003. Epub 2021 Nov 30.

PURPOSE: Amid calls for greater diversity in precision medicine research, the perspectives of Indigenous people have been underexplored. Our goals were to understand tribal leaders' views regarding the potential benefits and risks of such research, explore its priority for...

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Trinidad SB, Blacksher E, Woodbury RB, et al. Precision medicine research with American Indian and Alaska Native communities: Results of a deliberative engagement with tribal leaders. Genet Med. 2021;doi: 10.1016/j.gim.2021.11.003.
Trinidad, S. B., Blacksher, E., Woodbury, R. B., Hopkins, S. E., Burke, W., Woodahl, E. L., Boyer, B. B., & Hiratsuka, V. Y. (2021). Precision medicine research with American Indian and Alaska Native communities: Results of a deliberative engagement with tribal leaders. Genetics in medicine : official journal of the American College of Medical Genetics, . https://doi.org/10.1016/j.gim.2021.11.003
Trinidad, Susan Brown, et al. "Precision medicine research with American Indian and Alaska Native communities: Results of a deliberative engagement with tribal leaders." Genetics in medicine : official journal of the American College of Medical Genetics vol. (2021). doi: https://doi.org/10.1016/j.gim.2021.11.003
Trinidad SB, Blacksher E, Woodbury RB, Hopkins SE, Burke W, Woodahl EL, Boyer BB, Hiratsuka VY. Precision medicine research with American Indian and Alaska Native communities: Results of a deliberative engagement with tribal leaders. Genet Med. 2021 Nov 30; doi: 10.1016/j.gim.2021.11.003. Epub 2021 Nov 30. PMID: 34906504.
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Linkage and association analysis of circulating vitamin D and parathyroid hormone identifies novel loci in Alaska Native Yup'ik people.

Genes & nutrition

Aslibekyan S, Vaughan LK, Wiener HW, Hidalgo BA, Lemas DJ, O'Brien DM, Hopkins SE, Stanhope KL, Havel PJ, Thummel KE, Boyer BB, Tiwari HK.
PMID: 27579147
Genes Nutr. 2016 Aug 02;11:23. doi: 10.1186/s12263-016-0538-y. eCollection 2016.

BACKGROUND: Vitamin D deficiency is a well-documented public health issue with both genetic and environmental determinants. Populations living at far northern latitudes are vulnerable to vitamin D deficiency and its health sequelae, although consumption of traditional native dietary pattern...

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Aslibekyan S, Vaughan LK, Wiener HW, et al. Linkage and association analysis of circulating vitamin D and parathyroid hormone identifies novel loci in Alaska Native Yup'ik people. Genes Nutr. 2016;11:23doi: 10.1186/s12263-016-0538-y.
Aslibekyan, S., Vaughan, L. K., Wiener, H. W., Hidalgo, B. A., Lemas, D. J., O'Brien, D. M., Hopkins, S. E., Stanhope, K. L., Havel, P. J., Thummel, K. E., Boyer, B. B., & Tiwari, H. K. (2016). Linkage and association analysis of circulating vitamin D and parathyroid hormone identifies novel loci in Alaska Native Yup'ik people. Genes & nutrition, 1123. https://doi.org/10.1186/s12263-016-0538-y
Aslibekyan, Stella, et al. "Linkage and association analysis of circulating vitamin D and parathyroid hormone identifies novel loci in Alaska Native Yup'ik people." Genes & nutrition vol. 11 (2016): 23. doi: https://doi.org/10.1186/s12263-016-0538-y
Aslibekyan S, Vaughan LK, Wiener HW, Hidalgo BA, Lemas DJ, O'Brien DM, Hopkins SE, Stanhope KL, Havel PJ, Thummel KE, Boyer BB, Tiwari HK. Linkage and association analysis of circulating vitamin D and parathyroid hormone identifies novel loci in Alaska Native Yup'ik people. Genes Nutr. 2016 Aug 02;11:23. doi: 10.1186/s12263-016-0538-y. eCollection 2016. PMID: 27579147; PMCID: PMC4971612.
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Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

Accounts of chemical research

Gagliardi L, Truhlar DG, Li Manni G, Carlson RK, Hoyer CE, Bao JL.
PMID: 28001359
Acc Chem Res. 2017 Jan 17;50(1):66-73. doi: 10.1021/acs.accounts.6b00471. Epub 2016 Dec 21.

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate...

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Gagliardi L, Truhlar DG, Li Manni G, et al. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems. Acc Chem Res. 2016;50(1):66-73doi: 10.1021/acs.accounts.6b00471.
Gagliardi, L., Truhlar, D. G., Li Manni, G., Carlson, R. K., Hoyer, C. E., & Bao, J. L. (2017). Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems. Accounts of chemical research, 50(1), 66-73. https://doi.org/10.1021/acs.accounts.6b00471
Gagliardi, Laura, et al. "Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems." Accounts of chemical research vol. 50,1 (2017): 66-73. doi: https://doi.org/10.1021/acs.accounts.6b00471
Gagliardi L, Truhlar DG, Li Manni G, Carlson RK, Hoyer CE, Bao JL. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems. Acc Chem Res. 2017 Jan 17;50(1):66-73. doi: 10.1021/acs.accounts.6b00471. Epub 2016 Dec 21. PMID: 28001359.
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SARS-CoV-2 Infection and COVID-19 Outcomes in Rheumatic Disease: A Systematic Literature Review And Meta-Analysis.

Arthritis & rheumatology (Hoboken, N.J.)

Conway R, Grimshaw AA, Konig MF, Putman M, Duarte-García A, Tseng LY, Cabrera DM, Chock YPE, Degirmenci HB, Duff E, Egeli BH, Graef ER, Gupta A, Harkins P, Hoyer BF, Jayatilleke A, Jin S, Kasia C, Khilnani A, Kilian A, Kim AH, Lin CMA, Low C, Proulx L, Sattui SE, Singh N, Sparks JA, Tam H, Ugarte-Gil MF, Ung N, Wang K, Wise LM, Yang Z, Young KJ, Liew JW, Grainger R, Wallace ZS, Hsieh E.
PMID: 34807517
Arthritis Rheumatol. 2021 Nov 22; doi: 10.1002/art.42030. Epub 2021 Nov 22.

OBJECTIVE: The relative risk of SARS-CoV-2 infection and COVID-19 disease severity among people with rheumatic and musculoskeletal diseases (RMD) compared to those without RMD remains uncertain. We sought to quantify the risk for SARS-CoV-2 infection and describe clinical outcomes...

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Conway R, Grimshaw AA, Konig MF, et al. SARS-CoV-2 Infection and COVID-19 Outcomes in Rheumatic Disease: A Systematic Literature Review And Meta-Analysis. Arthritis Rheumatol. 2021;doi: 10.1002/art.42030.
Conway, R., Grimshaw, A. A., Konig, M. F., Putman, M., Duarte-García, A., Tseng, L. Y., Cabrera, D. M., Chock, Y. P. E., Degirmenci, H. B., Duff, E., Egeli, B. H., Graef, E. R., Gupta, A., Harkins, P., Hoyer, B. F., Jayatilleke, A., Jin, S., Kasia, C., Khilnani, A., Kilian, A., Kim, A. H., Lin, C. M. A., Low, C., Proulx, L., Sattui, S. E., Singh, N., Sparks, J. A., Tam, H., Ugarte-Gil, M. F., Ung, N., Wang, K., Wise, L. M., Yang, Z., Young, K. J., Liew, J. W., Grainger, R., Wallace, Z. S., Hsieh, E. (2021). SARS-CoV-2 Infection and COVID-19 Outcomes in Rheumatic Disease: A Systematic Literature Review And Meta-Analysis. Arthritis & rheumatology (Hoboken, N.J.), . https://doi.org/10.1002/art.42030
Conway, Richard, et al. "SARS-CoV-2 Infection and COVID-19 Outcomes in Rheumatic Disease: A Systematic Literature Review And Meta-Analysis." Arthritis & rheumatology (Hoboken, N.J.) vol. (2021). doi: https://doi.org/10.1002/art.42030
Conway R, Grimshaw AA, Konig MF, Putman M, Duarte-García A, Tseng LY, Cabrera DM, Chock YPE, Degirmenci HB, Duff E, Egeli BH, Graef ER, Gupta A, Harkins P, Hoyer BF, Jayatilleke A, Jin S, Kasia C, Khilnani A, Kilian A, Kim AH, Lin CMA, Low C, Proulx L, Sattui SE, Singh N, Sparks JA, Tam H, Ugarte-Gil MF, Ung N, Wang K, Wise LM, Yang Z, Young KJ, Liew JW, Grainger R, Wallace ZS, Hsieh E. SARS-CoV-2 Infection and COVID-19 Outcomes in Rheumatic Disease: A Systematic Literature Review And Meta-Analysis. Arthritis Rheumatol. 2021 Nov 22; doi: 10.1002/art.42030. Epub 2021 Nov 22. PMID: 34807517.
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Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations.

The Journal of chemical physics

Hoyer CE, Manni GL, Truhlar DG, Gagliardi L.
PMID: 25429944
J Chem Phys. 2014 Nov 28;141(20):204309. doi: 10.1063/1.4901718.

The diatomic molecule Fe2 was investigated using restricted active space second-order perturbation theory (RASPT2). This molecule is very challenging to study computationally because predictions about the ground state and excited states depend sensitively on the choice of the quantum...

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Hoyer CE, Manni GL, Truhlar DG, et al. Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations. J Chem Phys. 2014;141(20):204309doi: 10.1063/1.4901718.
Hoyer, C. E., Manni, G. L., Truhlar, D. G., & Gagliardi, L. (2014). Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations. The Journal of chemical physics, 141(20), 204309. https://doi.org/10.1063/1.4901718
Hoyer, Chad E, et al. "Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations." The Journal of chemical physics vol. 141,20 (2014): 204309. doi: https://doi.org/10.1063/1.4901718
Hoyer CE, Manni GL, Truhlar DG, Gagliardi L. Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations. J Chem Phys. 2014 Nov 28;141(20):204309. doi: 10.1063/1.4901718. PMID: 25429944.
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Oxygen Persufflation in Liver Transplantation Results of a Randomized Controlled Trial.

Bioengineering (Basel, Switzerland)

Gallinat A, Hoyer DP, Sotiropoulos G, Treckmann J, Benkoe T, Belker J, Saner F, Paul A, Minor T.
PMID: 31035575
Bioengineering (Basel). 2019 Apr 27;6(2). doi: 10.3390/bioengineering6020035.

Oxygen persufflation has shown experimentally to favorably influence hepatic energy dependent pathways and to improve survival after transplantation. The present trial evaluated oxygen persufflation as adjunct in clinical liver preservation. A total of

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Gallinat A, Hoyer DP, Sotiropoulos G, et al. Oxygen Persufflation in Liver Transplantation Results of a Randomized Controlled Trial. Bioengineering (Basel). 2019;6(2)doi: 10.3390/bioengineering6020035.
Gallinat, A., Hoyer, D. P., Sotiropoulos, G., Treckmann, J., Benkoe, T., Belker, J., Saner, F., Paul, A., & Minor, T. (2019). Oxygen Persufflation in Liver Transplantation Results of a Randomized Controlled Trial. Bioengineering (Basel, Switzerland), 6(2), . https://doi.org/10.3390/bioengineering6020035
Gallinat, Anja, et al. "Oxygen Persufflation in Liver Transplantation Results of a Randomized Controlled Trial." Bioengineering (Basel, Switzerland) vol. 6,2 (2019). doi: https://doi.org/10.3390/bioengineering6020035
Gallinat A, Hoyer DP, Sotiropoulos G, Treckmann J, Benkoe T, Belker J, Saner F, Paul A, Minor T. Oxygen Persufflation in Liver Transplantation Results of a Randomized Controlled Trial. Bioengineering (Basel). 2019 Apr 27;6(2). doi: 10.3390/bioengineering6020035. PMID: 31035575; PMCID: PMC6630246.
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Choosing Wisely Together: Physical and Occupational Therapy Consultation for Acute Neurology Inpatients.

The Neurohospitalist

Probasco JC, Lavezza A, Cassell A, Shakes T, Feurer A, Russell H, Sporney H, Burnett M, Maritim C, Urrutia V, Puttgen HA, Friedman M, Hoyer EH.
PMID: 29623154
Neurohospitalist. 2018 Apr;8(2):53-59. doi: 10.1177/1941874417729981. Epub 2017 Sep 12.

BACKGROUND: Although many hospitalized neuroscience patients have physical and occupational therapy (rehabilitation) needs, patients with none or minimal physical impairments frequently receive rehabilitation consultation, diverting from patients with greatest need.METHODS: A multidisciplinary team on the general and cerebrovascular neurology...

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Probasco JC, Lavezza A, Cassell A, et al. Choosing Wisely Together: Physical and Occupational Therapy Consultation for Acute Neurology Inpatients. Neurohospitalist. 2017;8(2):53-59doi: 10.1177/1941874417729981.
Probasco, J. C., Lavezza, A., Cassell, A., Shakes, T., Feurer, A., Russell, H., Sporney, H., Burnett, M., Maritim, C., Urrutia, V., Puttgen, H. A., Friedman, M., & Hoyer, E. H. (2018). Choosing Wisely Together: Physical and Occupational Therapy Consultation for Acute Neurology Inpatients. The Neurohospitalist, 8(2), 53-59. https://doi.org/10.1177/1941874417729981
Probasco, John C, et al. "Choosing Wisely Together: Physical and Occupational Therapy Consultation for Acute Neurology Inpatients." The Neurohospitalist vol. 8,2 (2018): 53-59. doi: https://doi.org/10.1177/1941874417729981
Probasco JC, Lavezza A, Cassell A, Shakes T, Feurer A, Russell H, Sporney H, Burnett M, Maritim C, Urrutia V, Puttgen HA, Friedman M, Hoyer EH. Choosing Wisely Together: Physical and Occupational Therapy Consultation for Acute Neurology Inpatients. Neurohospitalist. 2018 Apr;8(2):53-59. doi: 10.1177/1941874417729981. Epub 2017 Sep 12. PMID: 29623154; PMCID: PMC5882008.
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One-year Allograft and Patient Survival in Renal Transplant Recipients Receiving Antiplatelet Therapy at the Time of Transplantation.

International journal of organ transplantation medicine

Benkö T, Gottmann M, Radunz S, Bienholz A, Saner FH, Treckmann JW, Paul A, Hoyer DP.
PMID: 29531642
Int J Organ Transplant Med. 2018;9(1):10-19. Epub 2018 Feb 01.

BACKGROUND: Antiplatelet therapy is common in patients on the waiting list for kidney transplantation.OBJECTIVE: To evaluate the incidence of post-operative bleeding in patients with antiplatelet therapy undergoing kidney transplantation and analyze the impact on the outcome.METHODS: We studied all...

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Benkö T, Gottmann M, Radunz S, et al. One-year Allograft and Patient Survival in Renal Transplant Recipients Receiving Antiplatelet Therapy at the Time of Transplantation. Int J Organ Transplant Med. 2018;9(1):10-19
Benkö, T., Gottmann, M., Radunz, S., Bienholz, A., Saner, F. H., Treckmann, J. W., Paul, A., & Hoyer, D. P. (2018). One-year Allograft and Patient Survival in Renal Transplant Recipients Receiving Antiplatelet Therapy at the Time of Transplantation. International journal of organ transplantation medicine, 9(1), 10-19.
Benkö, T, et al. "One-year Allograft and Patient Survival in Renal Transplant Recipients Receiving Antiplatelet Therapy at the Time of Transplantation." International journal of organ transplantation medicine vol. 9,1 (2018): 10-19.
Benkö T, Gottmann M, Radunz S, Bienholz A, Saner FH, Treckmann JW, Paul A, Hoyer DP. One-year Allograft and Patient Survival in Renal Transplant Recipients Receiving Antiplatelet Therapy at the Time of Transplantation. Int J Organ Transplant Med. 2018;9(1):10-19. Epub 2018 Feb 01. PMID: 29531642; PMCID: PMC5839625.
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Effect of chemical modification of cellulose on the activity of a cellulase from Aspergillus niger.

Biotechnology and bioengineering

Boyer RF, Redmond MA.
PMID: 18548761
Biotechnol Bioeng. 1983 May;25(5):1311-9. doi: 10.1002/bit.260250511.

Five chemically modified forms of cellulose were prepared, characterized, and tested as substrates for a homogeneous glucanohydrolase from A. niger. The relative order of reactivity at pH 4.0 was DEAE = PEI > benzyl DEAE > cellulose > P...

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Boyer RF, Redmond MA. Effect of chemical modification of cellulose on the activity of a cellulase from Aspergillus niger. Biotechnol Bioeng. 1983;25(5):1311-9doi: 10.1002/bit.260250511.
Boyer, R. F., & Redmond, M. A. (1983). Effect of chemical modification of cellulose on the activity of a cellulase from Aspergillus niger. Biotechnology and bioengineering, 25(5), 1311-9. https://doi.org/10.1002/bit.260250511
Boyer, R F, and Redmond, M A. "Effect of chemical modification of cellulose on the activity of a cellulase from Aspergillus niger." Biotechnology and bioengineering vol. 25,5 (1983): 1311-9. doi: https://doi.org/10.1002/bit.260250511
Boyer RF, Redmond MA. Effect of chemical modification of cellulose on the activity of a cellulase from Aspergillus niger. Biotechnol Bioeng. 1983 May;25(5):1311-9. doi: 10.1002/bit.260250511. PMID: 18548761.
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Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

Journal of chemical theory and computation

Ghosh S, Sonnenberger AL, Hoyer CE, Truhlar DG, Gagliardi L.
PMID: 26636724
J Chem Theory Comput. 2016 Jan 12;12(1):455. doi: 10.1021/acs.jctc.5b01116. Epub 2015 Dec 04.

No abstract available.

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Ghosh S, Sonnenberger AL, Hoyer CE, et al. Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. J Chem Theory Comput. 2015;12(1):455doi: 10.1021/acs.jctc.5b01116.
Ghosh, S., Sonnenberger, A. L., Hoyer, C. E., Truhlar, D. G., & Gagliardi, L. (2016). Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. Journal of chemical theory and computation, 12(1), 455. https://doi.org/10.1021/acs.jctc.5b01116
Ghosh, Soumen, et al. "Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer." Journal of chemical theory and computation vol. 12,1 (2016): 455. doi: https://doi.org/10.1021/acs.jctc.5b01116
Ghosh S, Sonnenberger AL, Hoyer CE, Truhlar DG, Gagliardi L. Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. J Chem Theory Comput. 2016 Jan 12;12(1):455. doi: 10.1021/acs.jctc.5b01116. Epub 2015 Dec 04. PMID: 26636724.
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Development of in vitro fertilized embryos of the polyclad flatworm, Hoploplana inquilina, following blastomere separation and deletion.

Roux's archives of developmental biology : the official organ of the EDBO

Boyer BC.
PMID: 28305838
Rouxs Arch Dev Biol. 1987 Mar;196(3):158-164. doi: 10.1007/BF00376309.

After in vitro fertilization of naked eggs of the polyclad turbellarian, Hoploplana inquilina, both cell separation experiments and deletions of specific blastomeres are possible. With these techniques one can analyze the developmental potential of isolated blastomeres and determine if...

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Boyer BC. Development of in vitro fertilized embryos of the polyclad flatworm, Hoploplana inquilina, following blastomere separation and deletion. Rouxs Arch Dev Biol. 1987;196(3):158-164doi: 10.1007/BF00376309.
Boyer, B. C. (1987). Development of in vitro fertilized embryos of the polyclad flatworm, Hoploplana inquilina, following blastomere separation and deletion. Roux's archives of developmental biology : the official organ of the EDBO, 196(3), 158-164. https://doi.org/10.1007/BF00376309
Boyer, Barbara Conta. "Development of in vitro fertilized embryos of the polyclad flatworm, Hoploplana inquilina, following blastomere separation and deletion." Roux's archives of developmental biology : the official organ of the EDBO vol. 196,3 (1987): 158-164. doi: https://doi.org/10.1007/BF00376309
Boyer BC. Development of in vitro fertilized embryos of the polyclad flatworm, Hoploplana inquilina, following blastomere separation and deletion. Rouxs Arch Dev Biol. 1987 Mar;196(3):158-164. doi: 10.1007/BF00376309. PMID: 28305838.
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