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Andrew J Mccammon - One of the best experts on this subject based on the ideXlab platform.

  • mechanism of glycan receptor recognition and specificity switch for avian swine and human adapted influenza virus hemagglutinins a molecular dynamics perspective
    Biophysical Journal, 2010
    Co-Authors: Irene E Newhouse, Phineus R L Markwick, Rommie E Amaro, Hsing C Pao, Maqsudul Alam, Andrew J Mccammon
    Abstract:

    Hemagglutinins (HA's) from duck, swine and human influenza viruses have previously been shown to prefer avian and human glycan receptor analogues with distinct topological profiles, pentasaccharides LSTa (α-2,3 linkage) and LSTc (α-2,6 linkage), in comparative molecular dynamics studies. Based upon detailed analyses of the dynamic motions of the receptor binding domains (RBD's) and interaction energy profiles with individual glycan residues, we have identified approximately 30 residue positions and secondary structural elements (SSE's) in the RBD that present distinct profiles with the receptor analogues. Glycan binding constrained the conformational space sampling by the HA. Electrostatic steering appeared to play a key role in glycan binding specificity. The complex dynamic behaviors of the major SSE and trimeric interfaces with or without bound glycans suggested that networks of interactions might account for species specificity in these low affinity and high avidity (multivalent) interactions between different HA and glycans. Contact Frequency, energetic decomposition and H-bond analyses revealed species-specific differences in HA-glycan interaction profiles, not readily discernable from crystal structures alone. Interaction energy profiles indicated that mutation events at the set of residues such as 145, 156, 158 and 222 would favor human or avian receptor analogues, often through interactions with distal asialo-residues. These results correlate well with existing experimental evidence, and suggest new opportunities for simulation-based vaccine and drug development.

  • mechanism of glycan receptor recognition and specificity switch for avian swine and human adapted influenza virus hemagglutinins a molecular dynamics perspective
    Journal of the American Chemical Society, 2009
    Co-Authors: Irene E Newhouse, Phineus R L Markwick, Rommie E Amaro, Hsing C Pao, Maqsudul Alam, Andrew J Mccammon
    Abstract:

    Hemagglutinins (HA's) from duck, swine, and human influenza viruses have previously been shown to prefer avian and human glycan receptor analogues with distinct topological profiles, pentasaccharides LSTa (alpha-2,3 linkage) and LSTc (alpha-2,6 linkage), in comparative molecular dynamics studies. On the basis of detailed analyses of the dynamic motions of the receptor binding domains (RBDs) and interaction energy profiles with individual glycan residues, we have identified approximately 30 residue positions in the RBD that present distinct profiles with the receptor analogues. Glycan binding constrained the conformational space sampling by the HA. Electrostatic steering appeared to play a key role in glycan binding specificity. The complex dynamic behaviors of the major SSE and trimeric interfaces with or without bound glycans suggested that networks of interactions might account for species specificity in these low affinity and high avidity (multivalent) interactions between different HA and glycans. Contact Frequency, energetic decomposition, and H-bond analyses revealed species-specific differences in HA-glycan interaction profiles, not readily discernible from crystal structures alone. Interaction energy profiles indicated that mutation events at the set of residues such as 145, 156, 158, and 222 would favor human or avian receptor analogues, often through interactions with distal asialo-residues. These results correlate well with existing experimental evidence, and suggest new opportunities for simulation-based vaccine and drug development.

Irene E Newhouse - One of the best experts on this subject based on the ideXlab platform.

  • mechanism of glycan receptor recognition and specificity switch for avian swine and human adapted influenza virus hemagglutinins a molecular dynamics perspective
    Biophysical Journal, 2010
    Co-Authors: Irene E Newhouse, Phineus R L Markwick, Rommie E Amaro, Hsing C Pao, Maqsudul Alam, Andrew J Mccammon
    Abstract:

    Hemagglutinins (HA's) from duck, swine and human influenza viruses have previously been shown to prefer avian and human glycan receptor analogues with distinct topological profiles, pentasaccharides LSTa (α-2,3 linkage) and LSTc (α-2,6 linkage), in comparative molecular dynamics studies. Based upon detailed analyses of the dynamic motions of the receptor binding domains (RBD's) and interaction energy profiles with individual glycan residues, we have identified approximately 30 residue positions and secondary structural elements (SSE's) in the RBD that present distinct profiles with the receptor analogues. Glycan binding constrained the conformational space sampling by the HA. Electrostatic steering appeared to play a key role in glycan binding specificity. The complex dynamic behaviors of the major SSE and trimeric interfaces with or without bound glycans suggested that networks of interactions might account for species specificity in these low affinity and high avidity (multivalent) interactions between different HA and glycans. Contact Frequency, energetic decomposition and H-bond analyses revealed species-specific differences in HA-glycan interaction profiles, not readily discernable from crystal structures alone. Interaction energy profiles indicated that mutation events at the set of residues such as 145, 156, 158 and 222 would favor human or avian receptor analogues, often through interactions with distal asialo-residues. These results correlate well with existing experimental evidence, and suggest new opportunities for simulation-based vaccine and drug development.

  • mechanism of glycan receptor recognition and specificity switch for avian swine and human adapted influenza virus hemagglutinins a molecular dynamics perspective
    Journal of the American Chemical Society, 2009
    Co-Authors: Irene E Newhouse, Phineus R L Markwick, Rommie E Amaro, Hsing C Pao, Maqsudul Alam, Andrew J Mccammon
    Abstract:

    Hemagglutinins (HA's) from duck, swine, and human influenza viruses have previously been shown to prefer avian and human glycan receptor analogues with distinct topological profiles, pentasaccharides LSTa (alpha-2,3 linkage) and LSTc (alpha-2,6 linkage), in comparative molecular dynamics studies. On the basis of detailed analyses of the dynamic motions of the receptor binding domains (RBDs) and interaction energy profiles with individual glycan residues, we have identified approximately 30 residue positions in the RBD that present distinct profiles with the receptor analogues. Glycan binding constrained the conformational space sampling by the HA. Electrostatic steering appeared to play a key role in glycan binding specificity. The complex dynamic behaviors of the major SSE and trimeric interfaces with or without bound glycans suggested that networks of interactions might account for species specificity in these low affinity and high avidity (multivalent) interactions between different HA and glycans. Contact Frequency, energetic decomposition, and H-bond analyses revealed species-specific differences in HA-glycan interaction profiles, not readily discernible from crystal structures alone. Interaction energy profiles indicated that mutation events at the set of residues such as 145, 156, 158, and 222 would favor human or avian receptor analogues, often through interactions with distal asialo-residues. These results correlate well with existing experimental evidence, and suggest new opportunities for simulation-based vaccine and drug development.

Colleen Galambos Galambos Dsw - One of the best experts on this subject based on the ideXlab platform.

  • predictors of graduate social work students interest in aging related work
    Journal of Gerontological Social Work, 2002
    Co-Authors: Sherry Cummings M Dsw, Colleen Galambos Galambos Dsw
    Abstract:

    Abstract The increasing population of older adults in this country has created a growing demand for gerontological social workers. Despite this demand, few graduate level social work students indicate a preference for working with older clients. Using symbolic interactionism as a theoretical framework, this study sought to identify factors predictive of MSW students' interest in securing post-graduate geriatric employment. The contributions of closeness to elders, Contact with elders, education, attitudes toward aging, and rewarding interactions with elders were examined. In the final model rewarding interactions with older clients, Contact Frequency, and geriatric skill level emerged as significant predictors of students' desire to pursue aging-related employment (F(8,128) = 17.8, p <.0001, R2 = .54). Implications for social work education are discussed.

Raeanne C Moore - One of the best experts on this subject based on the ideXlab platform.

  • social Contact Frequency and pain among older adults with hiv an ecological momentary assessment study
    Annals of Behavioral Medicine, 2021
    Co-Authors: Matthew S Herbert, Jennalee S Wooldridge, Emily W Paolillo, Colin A Depp, Raeanne C Moore
    Abstract:

    BACKGROUND Social relationships are important for pain management among individuals with HIV, but the impact of daily social Contact on pain responses in real-time, real-world settings has never been specifically examined. PURPOSE The purpose of the present study was to examine the relationship between social Contact Frequency and pain, and the role of negative and positive affect in this relationship among older adults with HIV using ecological momentary assessment (EMA). METHODS A total of 66 (Mage = 59.3, SD = 6.3, range: 50-74) older adults with HIV completed EMA surveys that included social Contact Frequency, pain level, and negative and positive affect four times per day for 2 weeks. Mixed-effects regression models were used to examine concurrent and lagged associations between social Contact Frequency, pain, and negative and positive affect. RESULTS Greater recent social Contact Frequency was associated with less severe current pain (unstandardized B = -0.04, 95% CI: -0.08, -0.01, p = .014), while greater current pain was associated with lower subsequent social Contact Frequency (unstandardized B = -0.07, 95% CI: -0.11, -0.03, p < .001). Further, higher current negative affect was related to greater current pain, and this relationship was dampened by increased recent social Contact Frequency (unstandardized B = -0.17, 95% CI: -0.26, -0.08, p < .001). Neither negative nor positive affect was significantly associated with the relationship between current pain and subsequent social Contact Frequency. CONCLUSIONS Social Contact Frequency and pain are bidirectionally and inversely associated among older adults with HIV. Further, recent social Contact influences current pain by attenuating negative affect. Together, these results highlight the need to address social engagement in interventions for pain among older adults with HIV.

  • social Contact Frequency and pain among older adults with hiv an ecological momentary assessment study
    The Journal of Pain, 2021
    Co-Authors: Matthew S Herbert, Jennalee S Wooldridge, Emily W Paolillo, Colin A Depp, Raeanne C Moore
    Abstract:

    The purpose of the present study was to examine the relationship between social Contact Frequency and pain, and the role of negative and positive affect in this relationship, among older adults with HIV in real-time, real world settings using ecological momentary assessment (EMA). A total of 66 (Mage=59.3, SD=6.3) older adults with HIV completed EMA surveys that included social Contact Frequency, pain level, and negative and positive affect four times per day for two weeks. Mixed-effects regression models were used to examine concurrent and lagged associations between social Contact Frequency, pain, and negative and positive affect. Greater recent social contract Frequency was associated with less severe current pain (B=-0.04, SE=0.02, p

Matthew S Herbert - One of the best experts on this subject based on the ideXlab platform.

  • social Contact Frequency and pain among older adults with hiv an ecological momentary assessment study
    Annals of Behavioral Medicine, 2021
    Co-Authors: Matthew S Herbert, Jennalee S Wooldridge, Emily W Paolillo, Colin A Depp, Raeanne C Moore
    Abstract:

    BACKGROUND Social relationships are important for pain management among individuals with HIV, but the impact of daily social Contact on pain responses in real-time, real-world settings has never been specifically examined. PURPOSE The purpose of the present study was to examine the relationship between social Contact Frequency and pain, and the role of negative and positive affect in this relationship among older adults with HIV using ecological momentary assessment (EMA). METHODS A total of 66 (Mage = 59.3, SD = 6.3, range: 50-74) older adults with HIV completed EMA surveys that included social Contact Frequency, pain level, and negative and positive affect four times per day for 2 weeks. Mixed-effects regression models were used to examine concurrent and lagged associations between social Contact Frequency, pain, and negative and positive affect. RESULTS Greater recent social Contact Frequency was associated with less severe current pain (unstandardized B = -0.04, 95% CI: -0.08, -0.01, p = .014), while greater current pain was associated with lower subsequent social Contact Frequency (unstandardized B = -0.07, 95% CI: -0.11, -0.03, p < .001). Further, higher current negative affect was related to greater current pain, and this relationship was dampened by increased recent social Contact Frequency (unstandardized B = -0.17, 95% CI: -0.26, -0.08, p < .001). Neither negative nor positive affect was significantly associated with the relationship between current pain and subsequent social Contact Frequency. CONCLUSIONS Social Contact Frequency and pain are bidirectionally and inversely associated among older adults with HIV. Further, recent social Contact influences current pain by attenuating negative affect. Together, these results highlight the need to address social engagement in interventions for pain among older adults with HIV.

  • social Contact Frequency and pain among older adults with hiv an ecological momentary assessment study
    The Journal of Pain, 2021
    Co-Authors: Matthew S Herbert, Jennalee S Wooldridge, Emily W Paolillo, Colin A Depp, Raeanne C Moore
    Abstract:

    The purpose of the present study was to examine the relationship between social Contact Frequency and pain, and the role of negative and positive affect in this relationship, among older adults with HIV in real-time, real world settings using ecological momentary assessment (EMA). A total of 66 (Mage=59.3, SD=6.3) older adults with HIV completed EMA surveys that included social Contact Frequency, pain level, and negative and positive affect four times per day for two weeks. Mixed-effects regression models were used to examine concurrent and lagged associations between social Contact Frequency, pain, and negative and positive affect. Greater recent social contract Frequency was associated with less severe current pain (B=-0.04, SE=0.02, p