NPCoronaPredict: A Computational Pipeline for the Prediction of the Nanoparticle-Biomolecule Corona.

The corona of a nanoparticle immersed in a biological fluid is of key importance to its eventual fate and bioactivity in the environment or inside live tissues. It is critical to have insight into both the underlying bionano interactions and the corona composition to ensure biocompatibility of novel engineered nanomaterials. A prediction of these properties in silico requires the successful spanning of multiple orders of magnitude of both time and physical dimensions to produce results in a reasonable amount of time, necessitating the development of a multiscale modeling approach.

Multiscale modelling of biomolecular corona formation on metallic surfaces.

In the realm of food industry, the choice of non-consumable materials used plays a crucial role in ensuring consumer safety and product quality. Aluminum is widely used in food packaging and food processing applications, including dairy products. However, the interaction between aluminum and milk content requires further investigation to understand its implications.

prediction of protein binding affinities onto core-shell PEGylated noble metal nanoparticles for rational design of drug nanocarriers.

Polymer-coated nanoparticles (NP) are commonly used as drug carriers or theranostic agents. Their uptake rates are modulated by the interactions with essential serum proteins such as transferrin and albumin. Understanding the control parameters of these interactions is crucial for improving the efficiency of these nanoscale devices.

An ancestral molecular response to nanomaterial particulates.

The varied transcriptomic response to nanoparticles has hampered the understanding of the mechanism of action. Here, by performing a meta-analysis of a large collection of transcriptomics data from various engineered nanoparticle exposure studies, we identify common patterns of gene regulation that impact the transcriptomic response. Analysis identifies deregulation of immune functions as a prominent response across different exposure studies.

Machine-learning based prediction of small molecule-surface interaction potentials.

Predicting the adsorption affinity of a small molecule to a target surface is of importance to a range of fields, from catalysis to drug delivery and human safety, but a complex task to perform computationally when taking into account the effects of the surrounding medium. We present a flexible machine-learning approach to predict potentials of mean force (PMFs) and adsorption energies for chemical-surface pairs from the separate interaction potentials of each partner with a set of probe atoms. We use a pre-existing library of PMFs obtained atomistic molecular dynamics simulations for a variety of inorganic materials and molecules to train the model.

Innovations to maximise impact of a data for decision-making training programme in the Federated States of Micronesia.

Accurate and timely health information is an essential foundation for strengthening health systems. Data for decision making (DDM) is a training curriculum designed to enhance capacity of health department staff to capture and use high-quality data to address priority health issues. In 2013, the Pacific Public Health Surveillance Network adapted and piloted the DDM curriculum as an 'at work, from work, for work' field epidemiology training programme component for low-income and middle-income Pacific Island jurisdictions.

A hard-sphere model of protein corona formation on spherical and cylindrical nanoparticles.

A nanoparticle (NP) immersed in biological media rapidly forms a corona of adsorbed proteins, which later controls the eventual fate of the particle and the route through which adverse outcomes may occur. The composition and timescale for the formation of this corona are both highly dependent on both the NP and its environment. The deposition of proteins on the surface of the NP can be imitated by a process of random sequential adsorption, and, based on this model, we develop a rate-equation treatment for the formation of a corona represented by hard spheres on spherical and cylindrical NPs.

First principles characterisation of bio-nano interface.

Nanomaterials possess a wide range of potential applications due to their novel properties and exceptionally high activity as a result of their large surface to volume ratios compared to bulk matter. The active surface may present both advantage and risk when the nanomaterials interact with living organisms. As the overall biological impact of nanomaterials is triggered and mediated by interactions at the bio-nano interface, an ability to predict those from the atomistic descriptors, especially before the material is produced, can present enormous advantage for the development of nanotechnology.

In Silico Prediction of Protein Adsorption Energy on Titanium Dioxide and Gold Nanoparticles.

The free energy of adsorption of proteins onto nanoparticles offers an insight into the biological activity of these particles in the body, but calculating these energies is challenging at the atomistic resolution. In addition, structural information of the proteins may not be readily available. In this work, we demonstrate how information about adsorption affinity of proteins onto nanoparticles can be obtained from first principles with minimum experimental input.

A cross-sectional study exploring obesity and pregnancy planning among women attending an antenatal clinic in Suva, Fiji.

Background: Pregnancy planning enables maternal health optimisation which is particularly important for women who have obesity and are at increased risk of adverse perinatal outcomes.

Aims: The prevalence of pregnancy planning and its relationship to body mass index (BMI) was investigated in a cohort of women attending antenatal clinics in the main referral hospital in Suva, Fiji.

Materials And Methods: The questionnaire captured health and socio-demographic data, anthropometry and asked about pregnancy planning.

Superstatistical Energy Distributions of an Ion in an Ultracold Buffer Gas.

An ion in a radio frequency ion trap interacting with a buffer gas of ultracold neutral atoms is a driven dynamical system which has been found to develop a nonthermal energy distribution with a power law tail. The exact analytical form of this distribution is unknown, but has often been represented empirically by q-exponential (Tsallis) functions. Based on the concepts of superstatistics, we introduce a framework for the statistical mechanics of an ion trapped in an rf field subject to collisions with a buffer gas.

A decade of data linkage in Western Australia: strategic design, applications and benefits of the WA data linkage system.

Objectives: The report describes the strategic design, steps to full implementation and outcomes achieved by the Western Australian Data Linkage System (WADLS), instigated in 1995 to link up to 40 years of data from over 30 collections for an historical population of 3.7 million. Staged development has seen its expansion, initially from a linkage key to local health data sets, to encompass links to national and local health and welfare data sets, genealogical links and spatial references for mapping applications.

Risk factors for isolated talipes equinovarus in Western Australia, 1980-1994.

A case-control study based on routinely collected data for a West Australian (WA) cohort of births born 1980-94 inclusive was used to identify potential risk factors for the foot deformity isolated talipes equinovarus. Race and sex were identified as risk factors and risk modifiers of the condition in WA infants. In comparison with their female counterparts, Aboriginal males were at greater risk of the deformity than Caucasian males (odd ratio [OR] 7.

Compliance with advice and appropriateness of emergency presentation following contact with the HealthDirect telephone triage service.

Objective: Evaluation of compliance with advice and appropriateness of emergency presentation following contact with a telephone triage service (HealthDirect).

Methods: Compliance rates, triage distributions and admission rates were determined using linked HealthDirect and ED records for patients living within 2 km of an ED that presented during 2000.

Results: Of 13 019 presentations, 842 (6.

Talipes equinovarus in Western Australia.

In Western Australia (WA), talipes equinovarus is a notifiable birth defect and, since 1980, has been ascertained by the population-based Birth Defects Registry (BDR). Talipes equinovarus deformities were classified as two distinct and distinguishable types, viz. isolated talipes equinovarus (no other birth defects present) and associated talipes equinovarus (other birth defects present).

Changes in ante-natal care and family planning in Krakor, Pursat, Cambodia, 1996-1998.

This study examines variations in ante-natal care (ANC) and family planning in Krakor, Pursat, Cambodia between 1996 and 1998. Population-based survey interviews were conducted with a total of 291 women in 1996 and 211 women in 1998. An intervention strategy designed to enhance the skills and roles of Health Centre staff, Village Health Volunteers (VHVs) and Traditional Birth Attendants (TBAs) was conducted.

Changes in Expanded Program for Immunization coverage for mother and child in Krakor, Cambodia 1996--1998.

We evaluated a training intervention aimed at enhancing the roles of health centre staff, Village Health Volunteers (VHVs) and Traditional Birth Attendants (TBAs) within the Expanded Program for Immunization (EPI) in the district of Krakor, Cambodia. We conducted population-based surveys to determine the coverage of the EPI at baseline (1996) and after the intervention (1998), using data from health cards for mothers and their children and history data. Statistically significant changes over the 2-year period were apparent for tetanus, BCG, polio and DTP, supporting the positive impact the training intervention had on immunization coverage in the district.

Population-based outcomes after 28,246 in-hospital vasectomies and 1,902 vasovasostomies in Western Australia.

Objectives: To examine trends in vasectomy and vasovasostomy, and the surgical complications and factors associated with reversal after vasectomy, and paternity after vasovasostomy.

Patients And Methods: Procedure rates were estimated from 1980 to 1996 in the population of Western Australia. Linked hospital morbidity records were used in the follow-up of men after vasectomy to estimate the risks of complications and reversals.

Validation of linked administrative data on end-stage renal failure: application of record linkage to a 'clinical base population'.

Objective: To evaluate the use of record linkage to monitor the occurrence of end-stage renal failure in Western Australia in 1980-94.

Methods: A clinical base population of 1,046 patients was identified from the Western Australian (WA) Health Services Research Linked Database. To exclude acute renal failure, patients were selected if they received in-hospital renal dialysis on more than 10 occasions over more than 28 days in 1980-94.

Population-based linkage of health records in Western Australia: development of a health services research linked database.

Objectives: To introduce the Western Australian Health Services Research Linked Database as infrastructure to support aetiologic, utilisation and outcomes research. To compare the study population, data resources, technical systems and organisational supports with international best practice in record linkage and health research.

Method And Results: The WA Linked Database systematically links the available administrative health data within an Australian State of 1.

Trends in repeat prostatectomy after surgery for benign prostate disease: application of record linkage to healthcare outcomes.

Objective: To compare the risk of repeat prostatectomy for benign prostatic hyperplasia (BPH) in a population-based cohort of 19 598 men in Western Australia treated by transurethral resection of the prostate (TURP) or open prostatectomy over a 16-year period.

Patients And Methods: The Western Australian Health Services Research Linked Database was used to extract all hospital morbidity data, death records and prostate cancer registrations for men who had prostate surgery for BPH in 1980-95. The cumulative incidence of first repeat prostatectomy calculated using the actuarial life-table and incidence-rate ratios of the first repeat prostatectomy, comparing TURP and open prostatectomy, were obtained using Cox regression.

Mortality and prostate cancer risk in 19,598 men after surgery for benign prostatic hyperplasia.

Objectives: To examine postoperative mortality and prostate cancer risk after the first prostatectomy for benign prostatic hypertrophy over a 17-year period in a population-based cohort of men in Western Australia, using improved methods to adjust for comorbidity.

Patients And Methods: The relative survival from death and prostate cancer incidence was calculated against the background population rates. The outcomes of transurethral resection of the prostate (TURP) and open prostatectomy (OP) were compared adjusting for calendar year, age, admission type and comorbidity using Cox regression.

Hospitalisation of the elderly during the last year of life: an application of record linkage in Western Australia 1985-1994.

Study Objective: To measure the trend, pattern, and cost of time spent in hospital during the last year of life in Western Australia and to identify trends in the place of death. The results were compared with those reported from the Oxford Record Linkage Study.

Design: Mortality records for those aged 65 years and over were linked to inpatient hospital morbidity records with a date of separation within one year before death.