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Mapping uncharted territory in ice from zeolite networks to ice structures
2018
Nature Communications
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Ice is one of the most extensively studied condensed matter systems. Yet, both experimentally and theoretically several new phases have been discovered over the last years. Here we report a large-scale density-functional-theory study of the configuration space of water ice. We geometry optimise 74,963 ice structures, which are selected and constructed from over five million tetrahedral networks listed in the databases of Treacy, Deem, and the International Zeolite Association. All prior
doi:10.1038/s41467-018-04618-6
pmid:29872048
pmcid:PMC5988809
fatcat:pxhai7cxlncxnmatal4hr6yzfe
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... e of ice is set aside and we introduce "generalised convex hulls" to identify configurations stabilised by appropriate thermodynamic constraints. We thereby rediscover all known phases (I-XVII, i, 0 and the quartz phase) except the metastable ice IV. Crucially, we also find promising candidates for ices XVIII through LI. Using the "sketch-map" dimensionality-reduction algorithm we construct an a priori, navigable map of configuration space, which reproduces similarity relations between structures and highlights the novel candidates. By relating the known phases to the tractably small, yet structurally diverse set of synthesisable candidate structures, we provide an excellent starting point for identifying formation pathways.
Reactive oxygen species signalling in the diabetic heart: emerging prospect for therapeutic targeting
2017
Heart
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Despite being first described 45 years ago, the existence of a distinct diabetic cardiomyopathy remains controversial. Nonetheless, it is widely accepted that the diabetic heart undergoes characteristic structural and functional changes in the absence of ischaemia and hypertension, which are independently linked to heart failure progression and are likely to underlie enhanced susceptibility to stress. A prominent feature is marked collagen accumulation linked with inflammation and extensive
doi:10.1136/heartjnl-2017-311448
pmid:28954833
fatcat:xtnzw2wznvebdj73jsulw5xupi
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... acellular matrix changes, which appears to be the main factor underlying cardiac stiffness and subclinical diastolic dysfunction, estimated to occur in as many as 75% of optimally controlled diabetics. Whether this characteristic remodelling phenotype is primarily driven by microvascular dysfunction or alterations in cardiomyocyte metabolism remains unclear. Although hyperglycaemia regulates multiple pathways in the diabetic heart, increased reactive oxygen species (ROS) generation is thought to represent a central mechanism underlying associated adverse remodelling. Indeed, experimental and clinical diabetes are linked with oxidative stress which plays a key role in cardiomyopathy, while key processes underlying diabetic cardiac remodelling, such as inflammation, angiogenesis, cardiomyocyte hypertrophy and apoptosis, fibrosis and contractile dysfunction, are redox sensitive. This review will explore the relative contributions of the major ROS sources (dysfunctional nitric oxide synthase, mitochondria, xanthine oxidase, nicotinamide adenine dinucleotide phosphate oxidases) in the diabetic heart and the potential for therapeutic targeting of ROS signalling using novel pharmacological and nonpharmacological approaches to modify specific aspects of the remodelling phenotype in order to prevent and/or delay heart failure development and progression.
The role of human cognitive neuroscience in drug discovery for the dementias
2014
Current opinion in pharmacology (Print)
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Drug discovery for the dementias Wesnes and Edgar 63 Table 1 Summary of non-industry sponsored upcoming and current prevention trials in Alzheimer's disease Target engagement at two years; a subsequent ...
Drug discovery for the dementias Wesnes and Edgar 67 With appropriate design and standardization, tests can be developed which properly characterize the quality of performance over repeated assessments ...
doi:10.1016/j.coph.2013.12.001
pmid:24565014
fatcat:tcm6bkj6wzd27lguopuqcithv4
Histopathological diagnoses on pleural biopsy specimens over a 15-year period at Chris Hani Baragwanath Academic Hospital, Johannesburg, South Africa: A retrospective review
2018
South African Medical Journal
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Chris Hani Baragwanath Academic Hospital (CHBAH) in Soweto, Johannesburg, is the largest hospital in SA, and indeed in the southern hemisphere, but there have been no studies investigating pleural biopsies ...
Primary
lung
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carcnoma
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lung SCC
Large
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differentiated
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carcinoma
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Poorly
differentiated
Acute Chronic Suppurative
HIV + 10
S Afr Med J ...
doi:10.7196/samj.2018.v109i1.13400
fatcat:oztkwwpc3vfahpcszdv3qh6w6u
Psychometric evaluation of the Work Readiness Questionnaire in schizophrenia
2014
CNS Spectrums
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Objective/Introduction Unemployment can negatively impact quality of life among patients with schizophrenia. Employment status depends on ability, opportunity, education, and cultural influences. A clinician-rated scale of work readiness, independent of current work status, can be a valuable assessment tool. A series of studies were conducted to create and validate a Work Readiness Questionnaire (WoRQ) for clinicians to assess patient ability to engage in socially useful activity, independent
doi:10.1017/s1092852914000352
pmid:25269787
pmcid:PMC4825104
fatcat:a4n5wdc26ffprnrvqw7x4zrobu
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... work availability. Methods Content validity, test–retest and inter-rater reliability, and construct validity were evaluated in three separate studies. Results Content validity was supported. Cronbach's α was 0.91, in the excellent range. Clinicians endorsed WoRQ concepts, including treatment adherence, physical appearance, social competence, and symptom control. The final readiness decision showed good test–retest reliability and moderate inter-rater reliability. Work readiness was associated with higher function and lower levels of negative symptoms. Low positive and high negative predictive values confirmed the concept validity. Discussion The WoRQ has suitable psychometric properties for use in a clinical trial for patients with a broad range of symptom severity. The scale may be applicable to assess therapeutic interventions. It is not intended to assess eligibility for supported work interventions. Conclusions The WoRQ is suitable for use in schizophrenia clinical trials to assess patient work functional potential.
Cell Cycle-controlled Interaction of Nucleolin with the Retinoblastoma Protein and Cancerous Cell Transformation
2006
Journal of Biological Chemistry
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Retinoblastoma protein (Rb) is a multifunctional tumor suppressor, frequently inactivated in certain types of human cancer. Nucleolin is an abundant multifunctional phosphoprotein of proliferating and cancerous cells, recently identified as cell cycle-regulated transcription activator, controlling expression of human papillomavirus type 18 (HPV18) oncogenes in cervical cancer. Here we find that nucleolin is associated with Rb in intact cells in the G 1 phase of the cell cycle, and the complex
doi:10.1074/jbc.m513335200
pmid:16698799
fatcat:xg6vyamjnfas5pj5s3suizmqvi
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... rmation is mediated by the growth-inhibitory domain of Rb. Association with Rb inhibits the DNA binding function of nucleolin and in consequence the interaction of nucleolin with the HPV18 enhancer, resulting in Rb-mediated repression of the HPV18 oncogenes. The intracellular distribution of nucleolin in epithelial cells is Rb-dependent, and an altered nucleolin localization in human cancerous tissues results from a loss of Rb. Our findings suggest that deregulated nucleolin activity due to a loss of Rb contributes to tumor development in malignant diseases, thus providing further insights into the molecular network for the Rb-mediated tumor suppression.
Generalized convex hull construction for materials discovery
2018
PHYSICAL REVIEW MATERIALS
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2018 pre-print arXiv:1803.01932v1 fatcat:o3jk6qzo7negnh36fhll2bhzo4Other Versions
The fingerprints identify the structures X i according to additive, data-driven features Φ j , which encode the full structural diversity of the dataset. ...
Day and J. Yang for sharing the W99 optimized configurations of pentacene and 5A crystals, and for insightful discussion.
Methods Structural Features. ...
doi:10.1103/physrevmaterials.2.103804
fatcat:62kluue4gnayjoughkedbfnsni
Molecular Mechanisms of Disease Pathogenesis Differ in Krabbe Disease Variants
2016
Traffic : the International Journal of Intracellular Transport
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Quantifying the impact of the COVID ‐19 pandemic on gastrointestinal cancer care delivery
2021
Cancer Reports
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Column 2 (B, D, F, H, J) includes graphical representations of the difference in the number of patients with a recorded encounter subtype within a given week as compared between 2019 and 2020. ...
doi:10.1002/cnr2.1427
pmid:34137216
pmcid:PMC8420475
fatcat:mbq44is5rnep5cp4atb36w4a7y
Pilot Evaluation of the Unsupervised, At-Home Cogstate Brief Battery in ADNI-2
2021
Journal of Alzheimer's Disease
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There is a need for feasible, scalable assessments to detect cognitive impairment and decline. The Cogstate Brief Battery (CBB) is validated for Alzheimer's disease (AD) and in unsupervised and bring your own device contexts. The CBB has shown usability for self-completion in the home but has not been employed in this way in a multisite clinical trial in AD. Objective: The objective of the pilot was to evaluate feasibility of at-home, self-completion of the CBB in the Alzheimer's Disease
doi:10.3233/jad-210201
pmid:34366337
pmcid:PMC8543269
fatcat:54zb74gsavethg54n7v7kktxry
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... aging Initiative (ADNI) over 24 months. Methods: The CBB was included as a pilot for cognitively normal (CN) and mild cognitive impairment (MCI) participants in ADNI-2, invited to take the assessment in-clinic, then at at-home over a period of 24 months follow-up. Data were analyzed to explore acceptability/usability, concordance of in-clinic and at-home assessment, and validity. Results: Data were collected for 104 participants (46 CN, 51 MCI, and 7 AD) who consented to provide CBB data. Subsequent analyses were performed for the CN and MCI groups only. Test completion rates were 100%for both the first in-clinic supervised and first at-home unsupervised assessments, with few repeat performances required. However, availability follow-up data declined sharply over time. Good concordance was seen between in-clinic and at-home assessments, with non-significant and small effect size differences (Cohen's d between -0.04 and 0.28) and generally moderate correlations (r = 0.42 to 0.73). Known groups validity was also supported (11/16 comparisons with Cohen's d≥0.3). Conclusion: These data demonstrate the feasibility of use for the CBB for unsupervised at-home, testing, including MCI groups. Optimal approaches to the application of assessments to support compliance over time remain to be determined.
Ambipolar ion acceleration in an expanding magnetic nozzle
2011
Plasma Sources Science & Technology
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The helicon plasma stage in the Variable Specific Impulse Magnetoplasma Rocket (VASIMR ® ) VX-200i device was used to characterize an axial plasma potential profile within an expanding magnetic nozzle region of the laboratory based device. The ion acceleration mechanism is identified as an ambipolar electric field produced by an electron pressure gradient, resulting in a local axial ion speed of Mach 4 downstream of the magnetic nozzle. A 20 eV argon ion kinetic energy was measured in the
doi:10.1088/0963-0252/20/1/015007
fatcat:kr6z5f7yvrbpnhxu5ksqgwgeyi
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... n source, which had a peak magnetic field strength of 0.17 T. The helicon plasma source was operated with 25 mg s −1 argon propellant and 30 kW of RF power. The maximum measured values of plasma density and electron temperature within the exhaust plume were 1 × 10 20 m −3 and 9 eV, respectively. The measured plasma density is nearly an order of magnitude larger than previously reported steady-state helicon plasma sources. The exhaust plume also exhibits a 95% to 100% ionization fraction. The size scale and spatial location of the plasma potential structure in the expanding magnetic nozzle region appear to follow the size scale and spatial location of the expanding magnetic field. The thickness of the potential structure was found to be 10 4 to 10 5 λ De depending on the local electron temperature in the magnetic nozzle, many orders of magnitude larger than typical laboratory double layer structures. The background plasma density and neutral argon pressure were 10 15 m −3 and 2 × 10 −5 Torr, respectively, in a 150 m 3 vacuum chamber during operation of the helicon plasma source. The agreement between the measured plasma potential and plasma potential that was calculated from an ambipolar ion acceleration analysis over the bulk of the axial distance where the potential drop was located is a strong confirmation of the ambipolar acceleration process.
Cognitive performance in relapsing remitting multiple sclerosis: A longitudinal study in daily practice using a brief computerized cognitive battery
2011
BMC Neurology
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Edgar has a PhD in Cognitive
Competing interests Dr. ...
Edgar is an expert in computerized cognitive assessment and a former Scientific Director at CDR Ltd, developers of the CDR System computerized cognitive test battery. Dr. ...
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doi:10.1186/1471-2377-11-68
pmid:21649910
pmcid:PMC3128855
fatcat:n4b2as4xvjey5eiz3mkpthiizu
Defining therapeutic benefit for people with schizophrenia: Focus on negative symptoms
2015
Schizophrenia Research
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Contents lists available at ScienceDirect Schizophrenia Research j o u r n a l h o m e p a g e : w w w . e l s e v i e r . c o m / l o c a t e / s c h r e s negative symptoms ...
doi:10.1016/j.schres.2014.12.001
pmid:25579053
fatcat:mn5y3pt5ajhvfgzbdoskel67c4
Cognitive Performance by Humans During a Smoked Cocaine Binge-Abstinence Cycle
2005
The American Journal of Drug and Alcohol Abuse
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Five cocaine-dependent individuals completed a 22-day inpatient study of sleep and cognition. Following 3 days of drug-free baseline, participants underwent 3 days of twice-daily smoked cocaine base self-administration (6 50-mg doses, 14 minutes apart), followed by 15 days of abstinence. Each morning and afternoon, the CDR repeatable, multiple-version, computerized cognitive battery (whose stability following practice has been documented) was administered. During abstinence, performance
doi:10.1081/ada-200068120
pmid:16320435
fatcat:qdqecsmz4rg37daa7gr2ynqjrq
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... ated on vigilance tasks (especially reaction time) as well as on immediate and delayed verbal recognition tasks but not on working memory tasks. Declines were most evident in the afternoon. Data suggest that abstinence can unmask cognitive deficits induced by chronic cocaine use and circadian factors may mediate their severity.
Clinical Implications for the Timely Diagnosis of Mycobacterium marinum in the Age of Biologic Therapy: A Case Report and Review of the Literature
2017
Case Reports in Infectious Diseases
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Mycobacterium marinum infections typically present as cutaneous nodular lesions with a sporotrichoid lymphatic spread on extensor surfaces of extremities. The natural history of this infection can be altered if the host is immunosuppressed, leading to disseminated presentations. A detailed exposure history and high degree of suspicion for this indolent pathogen are often required for the correct diagnosis of this disease. We present a case of a 67-year-old male misdiagnosed with seronegative
doi:10.1155/2017/5274302
pmid:28392952
pmcid:PMC5368394
fatcat:r5qlilqpk5formc2bjlzjyssby
more »
... umatoid arthritis presenting with rheumatic nodules. Initiation of chronic immunosuppressant therapy including biologic monoclonal antibodies resulted in the exacerbation of initially localized disease to broadly disseminated lymphatic, joint, and myotendinous granulomatous disease and led to delay in the correct diagnosis. Cessation of immunosuppressants, with a prolonged course of antimicrobial therapy and multiple surgical debridements were required for cure.
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