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Article ; Online: Metal Ion Binding Induces Local Protein Unfolding and Destabilizes Human Carbonic Anhydrase II.

McConnell, Kayla D / Fitzkee, Nicholas C / Emerson, Joseph P

2022 Volume 61, Issue 3, Page(s) 1249–1253

Abstract: Human carbonic anhydrase II (HCA) is a robust metalloprotein and an excellent biological model system to study the thermodynamics of metal ion coordination. Apo-HCA binds one zinc ion or two copper ions. We studied these binding processes at five ... ...

Abstract	Human carbonic anhydrase II (HCA) is a robust metalloprotein and an excellent biological model system to study the thermodynamics of metal ion coordination. Apo-HCA binds one zinc ion or two copper ions. We studied these binding processes at five temperatures (15-35 °C) using isothermal titration calorimetry, yielding thermodynamic parameters corrected for pH and buffer effects. We then sought to identify binding-induced structural changes. Our data suggest that binding at the active site organizes 6-8 residues; however, copper binding near the N-terminus results in a net
MeSH term(s)	Binding Sites/drug effects ; Calorimetry ; Carbonic Anhydrase II/antagonists & inhibitors ; Carbonic Anhydrase II/metabolism ; Carbonic Anhydrase Inhibitors/chemistry ; Carbonic Anhydrase Inhibitors/pharmacology ; Coordination Complexes/chemistry ; Coordination Complexes/pharmacology ; Copper/chemistry ; Copper/pharmacology ; Humans ; Ions/chemistry ; Ions/pharmacology ; Protein Unfolding ; Zinc/chemistry ; Zinc/pharmacology
Chemical Substances	Carbonic Anhydrase Inhibitors ; Coordination Complexes ; Ions ; Copper (789U1901C5) ; Carbonic Anhydrase II (EC 4.2.1.-) ; Zinc (J41CSQ7QDS)
Language	English
Publishing date	2022-01-06
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.1c03271
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Article ; Online: The ATCC genome portal: 3,938 authenticated microbial reference genomes.

Nguyen, Scott V / Puthuveetil, Nikhita P / Petrone, Joseph R / Kirkland, Jade L / Gaffney, Kaitlyn / Tabron, Corina L / Wax, Noah / Duncan, James / King, Stephen / Marlow, Robert / Reese, Amy L / Yarmosh, David A / McConnell, Hannah H / Fernandes, Ana S / Bagnoli, John / Benton, Briana / Jacobs, Jonathan L

Microbiology resource announcements

2024 Volume 13, Issue 2, Page(s) e0104523

Abstract: The ATCC Genome Portal (AGP, https://genomes.atcc.org/) is a database of authenticated genomes for bacteria, fungi, protists, and viruses held in ATCC's biorepository. It now includes 3,938 assemblies (253% increase) produced under ISO 9000 by ATCC. Here, ...

Abstract	The ATCC Genome Portal (AGP, https://genomes.atcc.org/) is a database of authenticated genomes for bacteria, fungi, protists, and viruses held in ATCC's biorepository. It now includes 3,938 assemblies (253% increase) produced under ISO 9000 by ATCC. Here, we present new features and content added to the AGP for the research community.
Language	English
Publishing date	2024-01-30
Publishing country	United States
Document type	Journal Article
ISSN	2576-098X
ISSN (online)	2576-098X
DOI	10.1128/mra.01045-23
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Article ; Online: Chylous Ascites: Reassessment of Diagnostic Criteria in Patients With Portal Hypertension.

Matchett, Caroline L / Rattan, Puru / McConnell, Joseph P / Donato, Leslie J / Simonetto, Douglas A / Kamath, Patrick S

The American journal of gastroenterology

2022 Volume 118, Issue 2, Page(s) 364–366

Abstract: Introduction: The triglyceride (TG) threshold for diagnosis of chylous ascites in patients with portal hypertension remains uncertain.: Methods: Retrospective analysis of lipoprotein electrophoresis was conducted in 286 consecutive ascites samples.!## ...

Abstract	Introduction: The triglyceride (TG) threshold for diagnosis of chylous ascites in patients with portal hypertension remains uncertain. Methods: Retrospective analysis of lipoprotein electrophoresis was conducted in 286 consecutive ascites samples. Results: Ascitic TG ≥ 81 mg/dL is 95.4% sensitive and 94.6% specific for chylous ascites diagnosed by the presence of significant chylomicron population. Discussion: The cutoff for chylous ascites diagnosis should be TG ≥ 81 mg/dL.
MeSH term(s)	Humans ; Chylous Ascites/diagnosis ; Chylous Ascites/etiology ; Retrospective Studies ; Hypertension, Portal/complications ; Hypertension, Portal/diagnosis ; Ascites ; Triglycerides
Chemical Substances	Triglycerides
Language	English
Publishing date	2022-10-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	390122-1
ISSN	1572-0241 ; 0002-9270
ISSN (online)	1572-0241
ISSN	0002-9270
DOI	10.14309/ajg.0000000000002072
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Article ; Online: Uganda's "EID Systems Strengthening" model produces significant gains in testing, linkage, and retention of HIV-exposed and infected infants: An impact evaluation.

Kiyaga, Charles / Narayan, Vijay / McConnell, Ian / Elyanu, Peter / Kisaakye, Linda Nabitaka / Joseph, Eleanor / Kekitiinwa, Adeodata / Grosz, Jeff

PloS one

2021 Volume 16, Issue 2, Page(s) e0246546

Abstract: ... Among infants testing HIV+, retention in care at an ART clinic increased from 23% (57/244) to 66% (44/67) (p ... < .0001). Initiation of HIV+ infants on ART increased from 36% (27/75) to 92% (46/50) (p < .0001). HEI ... receiving 1st PCR results increased from 57% (718/1268) to 73% (518/707) (p < .0001). Among breastfeeding ...

Abstract	Introduction: A review of Uganda's HIV Early Infant Diagnosis (EID) program in 2010 revealed poor retention outcomes for HIV-exposed infants (HEI) after testing. The review informed development of the 'EID Systems Strengthening' model: a set of integrated initiatives at health facilities to improve testing, retention, and clinical care of HIV-exposed and infected infants. The program model was piloted at several facilities and later scaled countrywide. This mixed-methods study evaluates the program's impact and assesses its implementation. Methods: We conducted a retrospective cohort study at 12 health facilities in Uganda, comprising all HEI tested by DNA PCR from June 2011 to May 2014 (n = 707). Cohort data were collected manually at the health facilities and analyzed. To assess impact, retention outcomes were statistically compared to the baseline study's cohort outcomes. We conducted a cross-sectional qualitative assessment of program implementation through 1) structured clinic observation and 2) key informant interviews with health workers, district officials, NGO technical managers, and EID trainers (n = 51). Results: The evaluation cohort comprised 707 HEI (67 HIV+). The baseline study cohort contained 1268 HEI (244 HIV+). Among infants testing HIV+, retention in care at an ART clinic increased from 23% (57/244) to 66% (44/67) (p < .0001). Initiation of HIV+ infants on ART increased from 36% (27/75) to 92% (46/50) (p < .0001). HEI receiving 1st PCR results increased from 57% (718/1268) to 73% (518/707) (p < .0001). Among breastfeeding HEI with negative 1st PCR, 55% (192/352) received a confirmatory PCR test, a substantial increase from baseline period. Testing coverage improved significantly: HIV+ pregnant women who brought their infants for testing after birth increased from 18% (67/367) to 52% (175/334) (p < .0001). HEI were tested younger: mean age at DBS test decreased from 6.96 to 4.21 months (p < .0001). Clinical care for HEI was provided more consistently. Implementation fidelity was strong for most program components. The strongest contributory interventions were establishment of 'EID Care Points', integration of clinical care, longitudinal patient tracking, and regular health worker mentorship. Gaps included limited follow up of lost infants, inconsistent buy-in/ownership of health facility management, and challenges sustaining health worker motivation. Discussion: Uganda's 'EID Systems Strengthening' model has produced significant gains in testing and retention of HEI and HIV+ infants, yet the country still faces major challenges. The 3 core concepts of Uganda's model are applicable to any country: establish a central service point for HEI, equip it to provide high-quality care and tracking, and develop systems to link HEI to the service point. Uganda's experience has shown the importance of intensively targeting systemic bottlenecks to HEI retention at facility level, a necessary complement to deploying rapidly scalable technologies and other higher-level initiatives.
MeSH term(s)	Algorithms ; Cross-Sectional Studies ; Diagnostic Tests, Routine ; Female ; HIV Infections/diagnosis ; Humans ; Infectious Disease Transmission, Vertical/prevention & control ; Pregnancy ; Retrospective Studies ; Uganda
Language	English
Publishing date	2021-02-04
Publishing country	United States
Document type	Journal Article
ISSN	1932-6203
ISSN (online)	1932-6203
DOI	10.1371/journal.pone.0246546
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Article ; Online: Ambient temperature and air pollution associations with suicide and homicide mortality in California: A statewide case-crossover study.

Rahman, Md Mostafijur / Lorenzo, Melissa / Ban-Weiss, George / Hasan, Zainab / Azzouz, Mehjar / Eckel, Sandrah P / Conti, David V / Lurmann, Fred / Schlaerth, Hannah / Johnston, Jill / Ko, Joseph / Palinkas, Lawrence / Hurlburt, Michael / Silva, Sam / Gauderman, W James / McConnell, Rob / Garcia, Erika

The Science of the total environment

2023 Volume 874, Page(s) 162462

Abstract: Background: Higher ambient temperature and air pollution may contribute to increased risk of behaviors harmful to oneself or to others; however, quantitative evidence is limited. We examined the relationship of deaths due to suicide and homicide with ... ...

Abstract	Background: Higher ambient temperature and air pollution may contribute to increased risk of behaviors harmful to oneself or to others; however, quantitative evidence is limited. We examined the relationship of deaths due to suicide and homicide with temperature and air pollution in California-a state prone to high levels of both exposures. Method: California death certificates from 2014 to 2019 were used to identify deaths due to suicide and homicide. Residential data for decedents were used to assign exposure to daily temperature (maximum[T Results: We observed 24,387 deaths due to suicide and 10,767 deaths due to homicide. We found a monotonic temperature association for both outcomes. A 5 °C increase in T Conclusion: Risk of suicide and homicide mortality increases with increasing daily ambient temperatures. Findings have public health relevance given anticipated increases in temperatures due to global climate change.
MeSH term(s)	Male ; Humans ; Female ; Aged ; Temperature ; Cross-Over Studies ; Homicide ; Air Pollution/analysis ; Air Pollutants/adverse effects ; Air Pollutants/analysis ; Particulate Matter/adverse effects ; Particulate Matter/analysis ; Ozone/analysis ; Suicide ; Nitrogen Dioxide/analysis ; Environmental Exposure/adverse effects
Chemical Substances	Air Pollutants ; Particulate Matter ; Ozone (66H7ZZK23N) ; Nitrogen Dioxide (S7G510RUBH)
Language	English
Publishing date	2023-02-27
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2023.162462
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Article ; Online: Low-Density Lipoprotein Cholesterol Corrected for Lipoprotein(a) Cholesterol, Risk Thresholds, and Cardiovascular Events.

Willeit, Peter / Yeang, Calvin / Moriarty, Patrick M / Tschiderer, Lena / Varvel, Stephen A / McConnell, Joseph P / Tsimikas, Sotirios

Journal of the American Heart Association

2020 Volume 9, Issue 23, Page(s) e016318

Abstract: Background Conventional "low-density lipoprotein cholesterol (LDL-C)" assays measure cholesterol content in both low-density lipoprotein and lipoprotein(a) particles. To clarify the consequences of this methodological limitation for clinical care, our ... ...

Abstract	Background Conventional "low-density lipoprotein cholesterol (LDL-C)" assays measure cholesterol content in both low-density lipoprotein and lipoprotein(a) particles. To clarify the consequences of this methodological limitation for clinical care, our study aimed to compare associations of "LDL-C" and corrected LDL-C with risk of cardiovascular disease and to assess the impact of this correction on the classification of patients into guideline-recommended LDL-C categories. Methods and Results Lipoprotein(a) cholesterol content was estimated as 30% of lipoprotein(a) mass and subtracted from "LDL-C" to obtain corrected LDL-C values (LDL-C
MeSH term(s)	Adult ; Aged ; Cardiovascular Diseases/blood ; Cardiovascular Diseases/diagnosis ; Cardiovascular Diseases/epidemiology ; Cholesterol, LDL/blood ; Female ; Humans ; Lipoprotein(a)/blood ; Male ; Middle Aged ; Risk Factors
Chemical Substances	Cholesterol, LDL ; Lipoprotein(a)
Language	English
Publishing date	2020-11-23
Publishing country	England
Document type	Journal Article ; Meta-Analysis ; Research Support, Non-U.S. Gov't
ZDB-ID	2653953-6
ISSN	2047-9980 ; 2047-9980
ISSN (online)	2047-9980
ISSN	2047-9980
DOI	10.1161/JAHA.119.016318
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Article ; Online: Cu-Catalyzed Chan-Evans-Lam Coupling Reactions of 2-Nitroimidazole with Aryl Boronic Acids: An Effort toward New Bioactive Agents against S. pneumoniae.

Raju, Selvam / Sheridan, Patrick E / Hauer, Alanna K / Garrett, Allyn E / McConnell, Danielle E / Thornton, Justin A / Stokes, Sean L / Emerson, Joseph P

Chemistry & biodiversity

2022 Volume 19, Issue 8, Page(s) e202200327

Abstract: The coupling of phenylboronic acids with poorly-activated imidazoles is studied as a model system to explore the use of copper-catalyzed Chan-Evans-Lam (CEL) coupling for targeted C-N bond forming reactions. Optimized CEL reaction conditions are reported ...

Abstract	The coupling of phenylboronic acids with poorly-activated imidazoles is studied as a model system to explore the use of copper-catalyzed Chan-Evans-Lam (CEL) coupling for targeted C-N bond forming reactions. Optimized CEL reaction conditions are reported for four phenanthroline-based ligand systems, where the ligand 4,5-diazafluoren-9-one (dafo, L2) with 1 molar equivalent of potassium carbonate yielded the highest reactivity. The substrate 2-nitroimidazole (also known as azomycin) has documented antimicrobial activity against a range of microbes. Here N-arylation of 2-nitroimidazole with a range of aryl boronic acids has been successfully developed by copper(II)-catalyzed CEL reactions. Azomycin and a range of newly arylated azomycin derivatives were screened against S. pneumoniae, where 1-(4-(benzyloxy)phenyl)-2-nitro-1H-imidazole (3d) was demonstrated to have a minimal inhibition concentration value of 3.3 μg/mL.
MeSH term(s)	Boronic Acids/chemistry ; Catalysis ; Copper/chemistry ; Ligands ; Nitroimidazoles/pharmacology
Chemical Substances	Boronic Acids ; Ligands ; Nitroimidazoles ; Copper (789U1901C5) ; azomycin (K8E96XL55D)
Language	English
Publishing date	2022-08-03
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2139001-0
ISSN	1612-1880 ; 1612-1872
ISSN (online)	1612-1880
ISSN	1612-1872
DOI	10.1002/cbdv.202200327
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Article ; Online: Prevalence of Elevated Lp(a) Mass Levels and Patient Thresholds in 532 359 Patients in the United States.

Varvel, Steve / McConnell, Joseph P / Tsimikas, Sotirios

Arteriosclerosis, thrombosis, and vascular biology

2016 Volume 36, Issue 11, Page(s) 2239–2245

Abstract: ... respectively. Females had higher mean (SD) (37.0 [42.7] versus 30.7 [36.7]; P<0.0001) and median (interquartile ... range) (19 [8-53] versus 15 [7-42]; P<0.0001) Lp(a) than males.: Conclusions: This is the largest ...

Abstract	Objective: Elevated lipoprotein(a) [Lp(a)] is a causal, independent risk factor for cardiovascular disease and aortic stenosis. We aimed to define the prevalence and patient thresholds of elevated Lp(a) levels in the United States. Approach and results: We analyzed Lp(a) levels in 532 359 subjects from 2 data sets: (1) in 531 144 subjects from a referral laboratory and (2) in 915 patients from a tertiary referral center. Lp(a) mass levels were measured by immunoturbidometric assays in both centers and expressed as mg/dL. At the referral laboratory, the median age (interquartile range) of the subjects was 57.0 (46-67) years, and 51.9% were female. Lp(a) levels were skewed rightward as expected. The mean±SD levels were 34.0±40.0 mg/dL, and median (interquartile range) levels were 17 (7-47) mg/dL, with range 0 to 907 mg/dL. Lp(a) levels at 75%, 80%, 90%, 95%, 99%, and 99.9% percentiles were >47, >60, >90, >116, >180, and >245 mg/dL, respectively. At the referral laboratory, Lp(a) levels >30 and >50 mg/dL were present in 35.0% and 24.0% of subjects, respectively, and at the tertiary referral center, 39.5% and 29.2%, respectively. Females had higher mean (SD) (37.0 [42.7] versus 30.7 [36.7]; P<0.0001) and median (interquartile range) (19 [8-53] versus 15 [7-42]; P<0.0001) Lp(a) than males. Conclusions: This is the largest database to assess the distribution of Lp(a) and is derived from patients as opposed to general populations. Lp(a) levels >30 and >50 mg/dL were fairly common, particularly in a tertiary care setting. These data may inform consensus documents, guidelines, and therapeutic cutoffs for Lp(a)-mediated cardiovascular risk.
MeSH term(s)	Aged ; Biomarkers/blood ; Blood Glucose/analysis ; C-Reactive Protein/analysis ; Cardiovascular Diseases/blood ; Cardiovascular Diseases/diagnosis ; Cardiovascular Diseases/epidemiology ; Cholesterol, LDL/blood ; Databases, Factual ; Female ; Glycated Hemoglobin A/analysis ; Humans ; Insulin/blood ; Lipoprotein(a)/blood ; Male ; Middle Aged ; Nephelometry and Turbidimetry ; Predictive Value of Tests ; Prevalence ; Reference Values ; Risk Factors ; Sex Factors ; Tertiary Care Centers ; United States/epidemiology ; Up-Regulation
Chemical Substances	Biomarkers ; Blood Glucose ; Cholesterol, LDL ; Glycated Hemoglobin A ; Insulin ; Lipoprotein(a) ; hemoglobin A1c protein, human ; C-Reactive Protein (9007-41-4)
Language	English
Publishing date	2016-11
Publishing country	United States
Document type	Journal Article ; Multicenter Study
ZDB-ID	1221433-4
ISSN	1524-4636 ; 1079-5642
ISSN (online)	1524-4636
ISSN	1079-5642
DOI	10.1161/ATVBAHA.116.308011
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Article ; Online: Improved biomass burning emissions from 1750 to 2010 using ice core records and inverse modeling.

Zhang, Bingqing / Chellman, Nathan J / Kaplan, Jed O / Mickley, Loretta J / Ito, Takamitsu / Wang, Xuan / Wensman, Sophia M / McCrimmon, Drake / Steffensen, Jørgen Peder / McConnell, Joseph R / Liu, Pengfei

Nature communications

2024 Volume 15, Issue 1, Page(s) 3651

Abstract: Estimating fire emissions prior to the satellite era is challenging because observations are limited, leading to large uncertainties in the calculated aerosol climate forcing following the preindustrial era. This challenge further limits the ability of ... ...

Abstract	Estimating fire emissions prior to the satellite era is challenging because observations are limited, leading to large uncertainties in the calculated aerosol climate forcing following the preindustrial era. This challenge further limits the ability of climate models to accurately project future climate change. Here, we reconstruct a gridded dataset of global biomass burning emissions from 1750 to 2010 using inverse analysis that leveraged a global array of 31 ice core records of black carbon deposition fluxes, two different historical emission inventories as a priori estimates, and emission-deposition sensitivities simulated by the atmospheric chemical transport model GEOS-Chem. The reconstructed emissions exhibit greater temporal variabilities which are more consistent with paleoclimate proxies. Our ice core constrained emissions reduced the uncertainties in simulated cloud condensation nuclei and aerosol radiative forcing associated with the discrepancy in preindustrial biomass burning emissions. The derived emissions can also be used in studies of ocean and terrestrial biogeochemistry.
Language	English
Publishing date	2024-04-30
Publishing country	England
Document type	Journal Article
ZDB-ID	2553671-0
ISSN	2041-1723 ; 2041-1723
ISSN (online)	2041-1723
ISSN	2041-1723
DOI	10.1038/s41467-024-47864-7
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Article ; Online: Reproducibility of arterial spin labeling cerebral blood flow image processing: A report of the ISMRM open science initiative for perfusion imaging (OSIPI)_and the ASL MRI challenge.

Paschoal, Andre M / Woods, Joseph G / Pinto, Joana / Bron, Esther E / Petr, Jan / Kennedy McConnell, Flora A / Bell, Laura / Dounavi, Maria-Eleni / van Praag, Cassandra Gould / Mutsaerts, Henk J M M / Taylor, Aaron Oliver / Zhao, Moss Y / Brumer, Irène / Chan, Wei Siang Marcus / Toner, Jack / Hu, Jian / Zhang, Logan X / Domingos, Catarina / Monteiro, Sara P /

Figueiredo, Patrícia / Harms, Alexander G J / Padrela, Beatriz E / Tham, Channelle / Abdalle, Ahmed / Croal, Paula L / Anazodo, Udunna

Magnetic resonance in medicine

2024

Abstract: Purpose: Arterial spin labeling (ASL) is a widely used contrast-free MRI method for assessing cerebral blood flow (CBF). Despite the generally adopted ASL acquisition guidelines, there is still wide variability in ASL analysis. We explored this ... ...

Abstract	Purpose: Arterial spin labeling (ASL) is a widely used contrast-free MRI method for assessing cerebral blood flow (CBF). Despite the generally adopted ASL acquisition guidelines, there is still wide variability in ASL analysis. We explored this variability through the ISMRM-OSIPI ASL-MRI Challenge, aiming to establish best practices for more reproducible ASL analysis. Methods: Eight teams analyzed the challenge data, which included a high-resolution T1-weighted anatomical image and 10 pseudo-continuous ASL datasets simulated using a digital reference object to generate ground-truth CBF values in normal and pathological states. We compared the accuracy of CBF quantification from each team's analysis to the ground truth across all voxels and within predefined brain regions. Reproducibility of CBF across analysis pipelines was assessed using the intra-class correlation coefficient (ICC), limits of agreement (LOA), and replicability of generating similar CBF estimates from different processing approaches. Results: Absolute errors in CBF estimates compared to ground-truth synthetic data ranged from 18.36 to 48.12 mL/100 g/min. Realistic motion incorporated into three datasets produced the largest absolute error and variability between teams, with the least agreement (ICC and LOA) with ground-truth results. Fifty percent of the submissions were replicated, and one produced three times larger CBF errors (46.59 mL/100 g/min) compared to submitted results. Conclusions: Variability in CBF measurements, influenced by differences in image processing, especially to compensate for motion, highlights the significance of standardizing ASL analysis workflows. We provide a recommendation for ASL processing based on top-performing approaches as a step toward ASL standardization.
Language	English
Publishing date	2024-03-19
Publishing country	United States
Document type	Journal Article
ZDB-ID	605774-3
ISSN	1522-2594 ; 0740-3194
ISSN (online)	1522-2594
ISSN	0740-3194
DOI	10.1002/mrm.30081
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