Extracting information on virus-human interactions and on antiviral compounds based on automated analysis of large text collections.

The development of effective antivirals is of great importance due to the threat associated with the rapid spread of viral infections. The accumulation of data in scientific publications and in databases of biologically active compounds provides an opportunity to extract specific information about interactions between chemicals and their viral and host targets. This information can be used for elucidation of knowledge about potential antiviral activity of chemical compounds, their side effects and toxicities.

The effect of coronary revascularization treatment timing on mortality in patients with stable ischemic heart disease in British Columbia.

Background: Prior research has shown that patients with stable ischemic heart disease who undergo delayed coronary artery bypass graft (CABG) surgery face higher mortality rates than those who receive CABG within the time recommended by physicians. However, this research did not account for percutaneous coronary intervention (PCI), a widely available alternative to delayed CABG in many settings. We sought to establish whether there was a difference in mortality between timely PCI and delayed CABG.

The effect of treatment timing on repeat revascularization in patients with stable ischemic heart disease.

Objectives: In patients with stable ischemic heart disease, there is no evidence for the effect of revascularization treatment timing on the need for repeat procedures. We aimed to determine if repeat revascularizations differed among patients who received coronary artery bypass graft surgery after the time recommended by physicians compared with those who had timely percutaneous coronary intervention.

Methods: We identified 25,520 British Columbia residents 60 years or older who underwent first-time nonemergency revascularization for angiographically proven, stable left main or multivessel ischemic heart disease between January 1, 2001, and December 31, 2016.

Prediction of viral protease inhibitors using proteochemometrics approach.

Being widely accepted tools in computational drug search, the (Q)SAR methods have limitations related to data incompleteness. The proteochemometrics (PCM) approach expands the applicability area by using description for both protein and ligand structures. The PCM algorithms are urgently required for the development of new antiviral agents.

Lanthanide Contraction in F ( = Ce-Lu) and Its Chemical and Structural Consequences: Part 2: Specialized Empirical System of ( = Y, La, and 14 ) and F Ionic Radii for F Series.

A () () for = Y, La, , and F ( rare earth elements ()) was derived from the dependence of () on the () of (). LC decreased the radius of the cation with increasing Z. The structures of -F (LaF-NdF, "-SmF") of the LaF type, 11 -F ( = Sm-Lu), and -YF of the β-YF type were studied.

Lanthanide Contraction in F ( = Ce-Lu) and Its Chemical and Structural Consequences: Part 1: Location of YF in the F Series According to Its Chemical and Structural Characteristics.

A of 14 () from Ce to Lu consists of the interaction of nucleus with -electrons. (REEs-) include Sc, Y, La, and 14 . They are located in 4-6th periods of the subgroup of group III.

Thermodynamic Origin of Negative Thermal Expansion Based on a Phase Transition-Type Mechanism in the GdF-TbF System.

Multicomponent fluorides of (s-) are () materials. NTE-II occurs in F-F systems formed by "mother" single-component dimorphic F ( = Pm, Sm, Eu, and Gd) with a giant NTE-II. There are two structural types of F polymorphic modifications: low-temperature β-YF (-) and high-temperature LaF (-).

Two-Component Rare-Earth Fluoride Materials with Negative Thermal Expansion Based on a Phase Transition-Type Mechanism in 50 F-'F ( = La-Lu) Systems.

The formation of materials with () based on a () in 50 (temperature-composition) F-'F ( = La-Lu) systems out of 105 possible is predicted. The components of these systems are "" F compounds ( = Pm, Sm, Eu, and Gd) with (), which occur during heating between the main structural types of F: -(β-YF) → -( LaF). The PolTr is characterized by a : the (V) of the low-temperature modification (V) is higher than that of the high-temperature modification (V) by a value (up to 4.

Physiotherapists' perspectives of barriers and facilitators to effective community provision after hip fracture: a qualitative study in England.

Purpose: to investigate physiotherapists' perspectives of effective community provision following hip fracture.

Methods: qualitative semi-structured interviews were conducted with 17 community physiotherapists across England. Thematic analysis drawing on the Theoretical Domains Framework identified barriers and facilitators to implementation of effective provision.

The effect of recognition on survival after out-of-hospital cardiac arrest and implications for biosensor technologies.

Background: Biosensor technologies have been proposed as a solution to provide recognition and facilitate earlier responses to unwitnessed out-of-hospital cardiac arrest (OHCA) cases. We sought to estimate the effect of recognition on survival and modelled the potential incremental impact of increased recognition of unwitnessed cases on survival to hospital discharge, to demonstrate the potential benefit of biosensor technologies.

Methods: We included cases from the British Columbia Cardiac Arrest Registry (2019-2020), which includes Emergency Medical Services (EMS)-assessed OHCAs.

Frequency, duration, and type of physiotherapy in the week after hip fracture surgery - analysis of implications for discharge home, readmission, survival, and recovery of mobility.

Purpose: To examine the association between physiotherapy access after hip fracture and discharge home, readmission, survival, and mobility recovery.

Methods: A 2017 Physiotherapy Hip Fracture Sprint Audit was linked to hospital records for 5383 patients. Logistic regression was used to estimate the association between physiotherapy access in the first postoperative week and discharge home, 30-day readmission post-discharge, 30-day survival and 120-days mobility recovery post-admission adjusted for age, sex, American Society of Anesthesiology grade, Hospital Frailty Risk Score and prefracture mobility/residence.

Time of coronary revascularization: methodology of a mediation analysis study.

Background: The advantage of coronary artery bypass grafting (CABG) over percutaneous coronary intervention (PCI), established in trials, may not be generalizable to populations in which the method of treatment determines the time to treatment. We sought to describe the methodology of a population-based observational study for assessing how changes in time to treatment may affect the comparative effectiveness of these 2 methods of coronary revascularization.

Methods: We propose a framework of causal mediation analysis to compare the outcomes of choosing CABG over PCI, if patients selected for either method waited the same amount of time had they undergone a PCI.

The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain.

Prediction of protein-ligand interaction is necessary for drug design, gene regulatory networks investigation, and chemical probes detection. The existing methods commonly demonstrate high prediction accuracy for the particular groups of protein and their ligands. We developed an approach suited for the wider applicability and tested it on three dataset types significantly differing by protein homology.

Factors affecting mortality after coronary bypass surgery: a scoping review.

Objectives: Previous research reports numerous factors of post-operative mortality in patients undergoing isolated coronary artery bypass graft surgery. However, this evidence has not been mapped to the conceptual framework of care improvement. Without such mapping, interventions designed to improve care quality remain unfounded.

The impact of the frequency, duration and type of physiotherapy on discharge after hip fracture surgery: a secondary analysis of UK national linked audit data.

Unlabelled: Additional physiotherapy in the first postoperative week was associated with fewer days to discharge after hip fracture surgery. A 7-day physiotherapy service in the first postoperative week should be considered as a new key performance indicator in evaluating the quality of care for patients admitted with a hip fracture.

Introduction: To examine the association between physiotherapy in the first week after hip fracture surgery and discharge from acute hospital.

A systematic, concept-based method of developing the exposure measure for drug safety and effectiveness studies.

Purpose: In drug safety and effectiveness studies based on secondary data, the choice of an appropriate exposure measure for a given outcome can be challenging. Different measures of exposure can yield different estimates of treatment effect and safety. There is a knowledge gap with respect to developing and refining measures of drug exposure, to ensure that the exposure measure addresses the study question and is suitable for statistical analysis.

Orthopaedic physiotherapists' perceptions of mechanisms for observed variation in the implementation of physiotherapy practices in the early postoperative phase after hip fracture: a UK qualitative study.

Objective: to explore physiotherapists' perceptions of mechanisms to explain observed variation in early postoperative practice after hip fracture surgery demonstrated in a national audit.

Methods: a qualitative semi-structured interview study of 21 physiotherapists working on orthopaedic wards at seven hospitals with different durations of physiotherapy during a recent audit. Thematic analysis of interviews drawing on Normalisation Process Theory to aid interpretation of findings.

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features.

Computationally predicting the interaction of proteins and ligands presents three main directions: the search of new target proteins for ligands, the search of new ligands for targets, and predicting the interaction of new proteins and new ligands. We proposed an approach providing the fuzzy classification of protein sequences based on the ligand structural features to analyze the latter most complicated case. We tested our approach on five protein groups, which represented promised targets for drug-like ligands and differed in functional peculiarities.

Variation in surgical demand and time to hip fracture repair: a Canadian database study.

Background: Competing demands for operative resources may affect time to hip fracture surgery. We sought to determine the time to hip fracture surgery by variation in demand in Canadian hospitals.

Methods: We obtained discharge abstracts of 151,952 patients aged 65 years or older who underwent surgery for a hip fracture between January, 2004 and December, 2012 in nine Canadian provinces.

Constructing treatment episodes from concomitant medication logs: a prospective observational study.

Objectives: To describe an approach using concomitant medication log records for the construction of treatment episodes. Concomitant medication log records are routinely collected in clinical studies. Unlike prescription and dispensing records, concomitant medication logs collect utilisation data.

Functional and structural features of proteins associated with alternative splicing.

The alternative splicing is a mechanism increasing the number of expressed proteins and a variety of these functions. We uncovered the protein domains most frequently lacked or occurred in the splice variants. Proteins presented by several isoforms participate in such processes as transcription regulation, immune response, etc.

Prediction of Protein-Ligand Interaction Based on the Positional Similarity Scores Derived from Amino Acid Sequences.

The affinity of different drug-like ligands to multiple protein targets reflects general chemical-biological interactions. Computational methods estimating such interactions analyze the available information about the structure of the targets, ligands, or both. Prediction of protein-ligand interactions based on pairwise sequence alignment provides reasonable accuracy if the ligands' specificity well coincides with the phylogenic taxonomy of the proteins.

Prognostic factors of in-hospital complications after hip fracture surgery: a scoping review.

Introduction: To examine prognostic factors that influence complications after hip fracture surgery. To summarize proposed underlying mechanisms for their influence.

Methods: We reported according to the Preferred Reporting Items for Systematic Review and Meta-Analysis Scoping Review extension.

Discharge destination following hip fracture in Canada among previously community-dwelling older adults, 2004-2012: database study.

Unlabelled: Little is known about post-acute care following hip fracture surgery. We investigated discharge destinations from surgical hospitals for nine Canadian provinces. We identified significant heterogeneity in discharge patterns across provinces suggesting different post-acute recovery pathways.

Operationalising a conceptual framework for a contiguous hospitalisation episode to study associations between surgical timing and death after first hip fracture: a Canadian observational study.

Objective: We describe steps to operationalise a published conceptual framework for a contiguous hospitalisation episode using acute care hospital discharge abstracts. We then quantified the degree of bias induced by a first abstract episode, which does not account for hospital transfers.

Design: Retrospective observational study.