Publications by authors named "Peter Wood"

129 Publications

Intracerebral haemorrhage in patients with brain metastases receiving therapeutic anticoagulation.

J Neurol Neurosurg Psychiatry 2021 Mar 9. Epub 2021 Mar 9.

Department of Radiation Oncology, Dana-Farber/Brigham and Women's Cancer Center, Boston, Massachusetts, USA

Background: Venous thromboembolism is common in patients with solid malignancies and brain metastases. Whether to anticoagulate such patients is controversial given the possibility of intracerebral haemorrhage (ICH). We evaluated the added risk of ICH in patients with brain metastases receiving therapeutic anticoagulation.

Methods: We performed a matched, retrospective cohort study of 291 patients (100 receiving therapeutic anticoagulation vs 191 controls) with brain metastases managed at Brigham and Women's Hospital/Dana-Farber Cancer Institute between 1998 and 2015. For each patient, all MRI studies of the brain were reviewed to identify ICH. Propensity score matching and multivariable Cox regression were used to mitigate confounding.

Results: The risk of ICH was comparable in patients receiving anticoagulation versus controls preanticoagulation Postanticoagulation, we observed significant or borderline-significant associations between anticoagulation and development of any ICH (HR 1.31, 95% CI 0.96 to 1.79, p=0.09), ICH as identified by gradient echo/susceptibility-weighted imaging (HR 1.46, 95% CI 1.06 to 2.01, p=0.02), symptomatic ICH (HR 1.80, 95% CI 1.01 to 3.22, p=0.05), extralesional ICH (HR 5.82, 95% CI 1.56 to 21.7, p0.009) and fatal ICH (HR 5.68, 95% CI 0.60 to 54.2, p=0.13). Anticoagulation was associated with differentially higher ICH risk in patients with prior ICH versus no prior ICH (HR 2.20 vs 0.68, respectively, p interaction <0.001) and symptomatic ICH risk in melanoma versus other primary malignancies (HR 6.46 vs 1.36, respectively, p interaction=0.02).

Conclusions: Anticoagulation is associated with clinically significant ICH in patients with brain metastases, especially those with melanoma or prior ICH. The indication for anticoagulation and risk of intracerebral bleeding should be considered on an individual basis among such patients.
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http://dx.doi.org/10.1136/jnnp-2020-324488DOI Listing
March 2021

Lipid-Based Natural Food Extracts for Effective Control of Botrytis Bunch Rot and Powdery Mildew on Field-Grown Winegrapes in New Zealand.

Plants (Basel) 2021 Feb 24;10(3). Epub 2021 Feb 24.

The New Zealand Institute for Plant and Food Research Limited (Plant & Food Research), Private Bag 3230, Waikato Mail Centre, Hamilton 3240, New Zealand.

Synthetic controls of crop pathogens are increasingly associated with harm to the environment and human health, and pathogen resistance. Pesticide residues in crops can also act as non-tariff trade barriers. There is therefore a strong imperative to develop biologically based and natural product (NP) biofungicides as more sustainable alternatives for crop pathogen control. We demonstrate the field efficacy, over multiple seasons, of NP biofungicides, NP1 (based on anhydrous milk fat) and NP2 (based on soybean oil), on two major diseases of winegrapes-Botrytis bunch rot (Botrytis) and powdery mildew (PM). The NPs were integrated into a season-long integrated disease management programme that has produced chemical-residue-free wines. Efficacies for Botrytis control on three different varieties were: 63-97% on Chardonnay, 0-96% for Sauvignon Blanc and 46-58% on Riesling; with 65-98% PM control on Chardonnay and Riesling. NP2 exhibited the significant control of Botrytis latent infections, making it a viable alternative to mid-season synthetic fungicides. Disease control was significantly better than the untreated control and usually as efficacious as the synthetic fungicide treatment(s). Yields and wine quality in NP-treated crops were normally equivalent to those in the synthetic fungicide treatments. The results indicate that NP-mediated disease control of Botrytis and powdery mildew can be obtained in the vineyard, without synthetic fungicide input.
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http://dx.doi.org/10.3390/plants10030423DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7996311PMC
February 2021

Support for veterinary landlords.

Authors:
Peter Wood

Vet Rec 2020 07;187(1):36

123 Hempsted Lane, Gloucester, GL2 5JY.

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http://dx.doi.org/10.1136/vr.m2706DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7456688PMC
July 2020

Risk factors for lymphatic filariasis and mass drug administration non-participation in Mandalay Region, Myanmar.

Parasit Vectors 2021 Jan 22;14(1):72. Epub 2021 Jan 22.

College of Public Health, Medical and Veterinary Sciences, Division of Tropical Health and Medicine, James Cook University, Cairns, QLD, Australia.

Background: Myanmar commenced a lymphatic filariasis (LF) elimination programme in 2000. Whilst the country has made considerable progress since then, a number of districts have demonstrated persistent transmission after many rounds of mass drug administration (MDA). The causes of unsuccessful MDA have been examined elsewhere; however, there remains little information on the factors that contribute in Myanmar.

Methods: We conducted an analysis of factors associated with persistent infection, LF-related hydrocoele and MDA participation in an area with ongoing transmission in 2015. A cross-sectional household survey was undertaken in 24 villages across four townships of Mandalay Region. Participants were screened for circulating filarial antigen (CFA) using immunochromatographic tests and, if positive, for microfilaria by night-time thick blood slide. Individuals 15 year and older were assessed for filariasis morbidity (lymphoedema and, if male, hydrocoele) by ultrasound-assisted clinical examination. A pre-coded questionnaire was used to assess risk factors for LF and for non-participation (never taking MDA). Significant variables identified in univariate analyses were included in separate step-wise multivariate logistic regressions for each outcome.

Results: After adjustment for covariates and survey design, being CFA positive was significantly associated with age [odds ratio (OR) 1.03, 95% CI 1.01-1.06), per year], male gender (OR 3.14, 1.27-7.76), elevation (OR 0.96, 0.94-0.99, per metre) and the density of people per household room (OR 1.59, 1.31-1.92). LF-related hydrocoele was associated with age (OR 1.06, 1.03-1.09, per year) and residing in Amarapura Township (OR 8.93, 1.37-58.32). Never taking MDA was associated with male gender [OR 6.89 (2.13-22.28)] and age, particularly in females, with a significant interaction term. Overall, compared to those aged 30-44 years, the proportion never taking MDA was higher in all age groups (OR highest in those < 5 years and > 60 years, ranging from 3.37 to 12.82). Never taking MDA was also associated with residing in Amarapura township (OR 2.48, 1.15-5.31), moving to one's current village from another (OR 2.62, 1.12-6.11) and ever having declined medication (OR 11.82, 4.25-32.91). Decreased likelihood of never taking MDA was associated with a higher proportion of household members being present during the last MDA round (OR 0.16, 0.03-0.74) and the number visits by the MDA programme (OR 0.69, 0.48-1.00).

Conclusions: These results contribute to the understanding of LF and MDA participation-related risk factors and will assist Myanmar to improve its elimination and morbidity management programmes.
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http://dx.doi.org/10.1186/s13071-021-04583-yDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7821648PMC
January 2021

Targeted classification of metal-organic frameworks in the Cambridge structural database (CSD).

Chem Sci 2020 Aug 17;11(32):8373-8387. Epub 2020 Jun 17.

Adsorption & Advanced Materials Laboratory (AAML) , Department of Chemical Engineering & Biotechnology , University of Cambridge , Philippa Fawcett Drive , Cambridge CB3 0AS , UK . Email:

Large-scale targeted exploration of metal-organic frameworks (MOFs) with characteristics such as specific surface chemistry or metal-cluster family has not been investigated so far. These definitions are particularly important because they can define the way MOFs interact with specific molecules ( their hydrophilic/phobic character) or their physicochemical stability. We report here the development of algorithms to break down the overarching family of MOFs into a number of subgroups according to some of their key chemical and physical features. Available within the Cambridge Crystallographic Data Centre's (CCDC) software, we introduce new approaches to allow researchers to browse and efficiently look for targeted MOF families based on some of the most well-known secondary building units. We then classify them in terms of their crystalline properties: metal-cluster, network and pore dimensionality, surface chemistry ( functional groups) and chirality. This dynamic database and family of algorithms allow experimentalists and computational users to benefit from the developed criteria to look for specific classes of MOFs but also enable users - and encourage them - to develop additional MOF queries based on desired chemistries. These tools are backed-up by an interactive web-based data explorer containing all the data obtained. We also demonstrate the usefulness of these tools with a high-throughput screening for hydrogen storage at room temperature. This toolbox, integrated in the CCDC software, will guide future exploration of MOFs and similar materials, as well as their design and development for an ever-increasing range of potential applications.
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http://dx.doi.org/10.1039/d0sc01297aDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7690317PMC
August 2020

Digital Health Approaches for the Assessment and Optimisation of Hypertension Care Provision.

Can J Cardiol 2020 Dec 17. Epub 2020 Dec 17.

Department of Medicine, University of Alberta, Edmonton, Alberta, Canada.

Although many aspects of our lives have been transformed by digital innovation, widespread adoption of digital health advancements within the health care sector in general, and for hypertension care specifically, has been limited. However, it is likely that, over the next decade, material increases in the uptake of digital health innovations for hypertension care delivery will be seen. In this narrative review, we summarise those innovations thought to have the greatest chance for impact in the next decade. These include provision of virtual care combined with home blood pressure (BP) telemonitoring, use of digital registries and protocolised care, leveraging continuous BP measurement to collect vast amounts of individual and population-based BP data, and adoption of digital therapeutics to provide low-cost scalable interventions for patients with or at risk for hypertension. Of these, home BP telemonitoring is likely the most ready for implementation, but it needs to be done in a way that enables efficient guideline-concordant care in a cost-effective manner. In addition, efforts must be focused on implementing digital health solutions in a manner that addresses the major challenges to digital adoption. This entails ensuring that innovations are accessible, usable, secure, validated, evidence based, cost-effective, and integrated into the electronic systems that are already used by patients or providers. Increasing the use of broader digital innovations such as artificial/augmented intelligence, data analytics, and interactive voice response is also critically important. The digital revolution holds substantial promise, but success will depend on the ability of collaborative stakeholders to adopt and implement innovative, usable solutions.
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http://dx.doi.org/10.1016/j.cjca.2020.12.009DOI Listing
December 2020

σ-Hole interactions in small-molecule compounds containing divalent sulfur groups R-S-R.

Acta Crystallogr B Struct Sci Cryst Eng Mater 2020 Aug 24;76(Pt 4):707-718. Epub 2020 Jul 24.

Department of Chemistry, University of Kinshasa, B.P.190 Kinshasa XI, The Democratic Republic of the Congo.

Hydrogen bonds, aromatic stacking contacts and σ-hole interactions are all noncovalent interactions commonly observed in biological systems. Structural data derived from the Protein Data Bank showed that methionine residues can interact with oxygen atoms through directional S...O contacts in the protein core. In the present work, the Cambridge Structural Database (CSD) was used in conjunction with ab initio calculations to explore the σ-hole interaction properties of small-molecule compounds containing divalent sulfur. CSD surveys showed that 7095 structures contained R-S-R groups that interact with electronegative atoms like N, O, S and Cl. Frequencies of occurrence and geometries of the interaction were dependent on the nature of R and R, and the hybridization of carbon atoms in C,C-S, and C,S-S fragments. The most common interactions in terms of frequency of occurrence were C,C-S...O, C,C-S...N and C,C-S...S with predominance of Csp. The strength of the chalcogen interaction increased when enhancing the electron-withdrawing character of the substituents. The most positive electrostatic potentials (V; illustrating positive σ-holes) calculated on R-S-R groups were located on the S atom, in the S-R and S-R extensions, and increased with electron-withdrawing R and R substituents like the interaction strength did. As with geometric data derived from the CSD, interaction geometries calculated for some model systems and representative CSD compounds suggested that the interactions were directed in the extensions of S-R and S-R bonds. The values of complexation energies supported attractive interactions between σ-hole bond donors and acceptors, enhanced by dispersion. The interactions of R-S-R with large V and nucleophiles with large negative V coherently provided more negative energies. According to NBO analysis, chalcogen interactions consisted of charge transfer from a nucleophile lone pair to an S-R or S-R antibonding orbital. The directional σ-hole interactions at R-S-R can be useful in crystal engineering and the area of supramolecular biochemistry.
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http://dx.doi.org/10.1107/S2052520620008598DOI Listing
August 2020

Automated oxidation-state assignment for metal sites in coordination complexes in the Cambridge Structural Database.

Acta Crystallogr B Struct Sci Cryst Eng Mater 2019 Dec 14;75(Pt 6):1096-1105. Epub 2019 Nov 14.

Centre for Science at Extreme Conditions and EaStCHEM School of Chemistry, The University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3FJ, UK.

The Cambridge Structural Database (CSD) currently contains over 400 000 transition-metal-containing entries, however many entries still lack curated oxidation-state assignments. Surveying and editing the remaining entries would be far too resource- and time-intensive to be carried out manually. Here, a highly reliable automated workflow for oxidation-state assignment in transition-metal coordination complexes via CSD Python API (application programming interface) scripts is presented. The strengths and limitations of the bond-valence sum (BVS) method are discussed and the use of complementary methods for improved assignment confidence is explored. In total, four complementary techniques have been implemented in this study. The resulting workflow overcomes the limitations of the BVS approach, widening the applicability of an automated procedure to more CSD entries. Assignments are successful for 99% of the cases where a high consensus between different methodologies is observed. Out of a total number of 54 999 unique metal atoms in a test dataset, the procedure yielded the correct oxidation state in 47 072 (86%) of cases.
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http://dx.doi.org/10.1107/S2052520619013040DOI Listing
December 2019

: automated execution of Pixel calculations via the interface.

J Appl Crystallogr 2020 Aug 30;53(Pt 4):1154-1162. Epub 2020 Jul 30.

EaStCHEM School of Chemistry and Centre for Science at Extreme Conditions, The University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3FJ, Scotland.

The interpretation of crystal structures in terms of intermolecular interaction energies enables phase stability and polymorphism to be rationalized in terms of quantitative thermodynamic models, while also providing insight into the origin of physical and chemical properties including solubility, compressibility and host-guest formation. The Pixel method is a semi-empirical procedure for the calculation of intermolecular interactions and lattice energies based only on crystal structure information. Molecules are represented as blocks of undistorted molecular electron and nuclear densities subdivided into small volume elements called pixels. Electrostatic, polarization, dispersion and Pauli repulsion terms are calculated between pairs of pixels and nuclei in different molecules, with the accumulated sum equating to the intermolecular interaction energy, which is broken down into physically meaningful component terms. The procedure enables Pixel calculations to be carried out with minimal user intervention from the graphical interface of , which is part of the software distributed with the Cambridge Structural Database (CSD). Following initial setup of a crystallographic model, one module assigns atom types and writes necessary input files. A second module then submits the required electron-density calculation either locally or to a remote server, downloads the results, and submits the Pixel calculation itself. Full lattice energy calculations can be performed for structures with up to two molecules in the crystallographic asymmetric unit. For more complex cases, only molecule-molecule energies are calculated. The program makes use of the CSD Python API, which is also distributed with the CSD.
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http://dx.doi.org/10.1107/S1600576720008444DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7401789PMC
August 2020

Cardiac rehabilitation in the paediatric Fontan population: development of a home-based high-intensity interval training programme.

Cardiol Young 2020 Oct 27;30(10):1409-1416. Epub 2020 Jul 27.

Division of Pediatric Cardiology, Department of Pediatrics, Stollery Children's Hospital, University of Alberta, Edmonton, Alberta, Canada.

Introduction: We evaluated the safety and feasibility of high-intensity interval training via a novel telemedicine ergometer (MedBIKE™) in children with Fontan physiology.

Methods: The MedBIKE™ is a custom telemedicine ergometer, incorporating a video game platform and live feed of patient video/audio, electrocardiography, pulse oximetry, and power output, for remote medical supervision and modulation of work. There were three study phases: (I) exercise workload comparison between the MedBIKE™ and a standard cardiopulmonary exercise ergometer in 10 healthy adults. (II) In-hospital safety, feasibility, and user experience (via questionnaire) assessment of a MedBIKE™ high-intensity interval training protocol in children with Fontan physiology. (III) Eight-week home-based high-intensity interval trial programme in two participants with Fontan physiology.

Results: There was good agreement in oxygen consumption during graded exercise at matched work rates between the cardiopulmonary exercise ergometer and MedBIKE™ (1.1 ± 0.5 L/minute versus 1.1 ± 0.5 L/minute, p = 0.44). Ten youth with Fontan physiology (11.5 ± 1.8 years old) completed a MedBIKE™ high-intensity interval training session with no adverse events. The participants found the MedBIKE™ to be enjoyable and easy to navigate. In two participants, the 8-week home-based protocol was tolerated well with completion of 23/24 (96%) and 24/24 (100%) of sessions, respectively, and no adverse events across the 47 sessions in total.

Conclusion: The MedBIKE™ resulted in similar physiological responses as compared to a cardiopulmonary exercise test ergometer and the high-intensity interval training protocol was safe, feasible, and enjoyable in youth with Fontan physiology. A randomised-controlled trial of a home-based high-intensity interval training exercise intervention using the MedBIKE™ will next be undertaken.
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http://dx.doi.org/10.1017/S1047951120002097DOI Listing
October 2020

Ibrutinib for central nervous system lymphoma: the Australasian Lymphoma Alliance/MD Anderson Cancer Center experience.

Br J Haematol 2021 Mar 16;192(6):1049-1053. Epub 2020 Jul 16.

Department of Haematology, Sir Charles Gairdner Hospital, Nedlands, WA, Australia.

Primary and secondary central nervous system lymphomas (PCNSL/SCNSL) are aggressive rare malignancies with dismal outcomes. Encouraging data have emerged from Phase I/II clinical trials treating relapsed/refractory PCNSL/SCNSL with ibrutinib. We analysed 33 patients who received ibrutinib, alone or with other therapies, for PCNSL (n = 9) or SCNSL (n = 24). The objective response rate was 58% (complete response 55%). The median progression-free survival and overall survival for patients with PCNSL were both 3·1 months; for SCNSL, 10·2 and 11·5 months respectively. Only one invasive fungal infection was observed, despite concurrent or recent use of dexamethasone 8-16 mg daily in 14 patients (42%). Ibrutinib has encouraging activity in these aggressive malignancies.
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http://dx.doi.org/10.1111/bjh.16946DOI Listing
March 2021

The role of achievement emotions in primary school mathematics: Control-value antecedents and achievement outcomes.

Br J Educ Psychol 2021 Mar 14;91(1):347-367. Epub 2020 Jul 14.

Department of Psychology, University of Essex, UK.

Background: Appraisals of control and value are proposed as proximal antecedents of achievement emotions, which, in turn, predict achievement. Relatively few studies have investigated how control and value may interact to determine achievement emotions, or subsequent achievement mediated by emotions.

Aim: To examine whether control, value, and their interaction predicted mathematics test score directly, and indirectly, mediated by three salient achievement emotions: enjoyment, boredom, and anxiety.

Method: Data were collected from 1,298 primary schoolchildren. Participants completed self-report measures of control, value (i.e., intrinsic, attainment, and utility), and achievement emotions (i.e., enjoyment, boredom, and anxiety), in the context of mathematics. Participants then undertook a curriculum-based mathematics test in class.

Results: Higher control and value were related to a higher mathematics test score directly, and indirectly, mediated via higher enjoyment and lower anxiety. The interaction of control and intrinsic value predicted mathematics test score directly, and indirectly, mediated via enjoyment.

Conclusion: Intrinsic value amplified the direct positive relation between control and mathematics test score. Intrinsic value also protected mathematics test scores at lower levels of control indirectly, through higher enjoyment. Helping students to maximize control and value will be beneficial for their learning experience and outcomes.
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http://dx.doi.org/10.1111/bjep.12367DOI Listing
March 2021

Impact of choosing the closest rather than the mean auscultatory blood pressure value on the European Society of Hypertension International Protocol device validation results.

Blood Press Monit 2020 Aug;25(4):224-226

Department of Medicine, University of Alberta.

Objective: When calculating the difference between alternating auscultatory reference standard (ARS) and the automated device-under-test (DUT) blood pressure (BP) measurements, the European Society of Hypertension International Protocol (ESH-IP) allows investigators to choose the closest ARS value to the DUT value, rather than using the mean of the ARS readings [which is mandated by the International Organization for Standardization (ISO)]. The impact of this rule on ESH-IP validation study results is unknown and was assessed.

Design And Methods: Nine alternating BP measurements performed according to the ISO protocol were obtained in 94 subjects. The impact of using the closest rather than the mean ARS reading on mean error, SD of the difference, and proportion of readings with DUT-ARS differences within 5, 10, and 15 mmHg was determined.

Results: Mean age was 58.6 ± 18.3 years, screening BP was 126.4/77.7 mmHg, and arm circumference was 32.0 ± 4.7 cm. DUT-ARS difference was 0.0 ± 5.3/-0.5 ± 5.0 mmHg using the closest ARS and -0.2 ± 6.5/-0.7 ± 5.9 mmHg using the mean ARS. When using the closest rather than the mean ARS value, the proportion of systolic readings with absolute DUT-ARS differences ≤5 mmHg was 73% (vs. 60% for the mean ARS method), ≤10 mmHg was 93% (vs. 88%), and ≤15 mmHg was 99% (vs. 98%). Corresponding values for diastolic BP were 73% (vs. 62%) for differences ≤5 mmHg, 94% (vs. 91%) for ≤10 mmHg, and 99% (vs. 99%) for ≤15 mmHg.

Conclusion: Using the closest rather than the mean ARS value results in more favourable validation study results and increases likelihood of passing.
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http://dx.doi.org/10.1097/MBP.0000000000000454DOI Listing
August 2020

Validation of the BIOS BD240 home blood pressure monitor in a multi-racial, multi-morbid Canadian population according to the International Standards Organization 2018 Protocol.

Blood Press Monit 2020 Jun;25(3):167-170

Department of Medicine, University of Alberta, Edmonton, Alberta, Canada.

Objective: Assess the accuracy of the BIOS BD240 home blood pressure (BP) monitor and wide-range cuff according to the International Organization for Standardization (ISO) 2018 standard.

Methods: Eighty-five subjects (aged ≥18 y) with arm circumferences between 24 and 43 cm were studied. Blinded, two-observer, mercury-based auscultation performed using a two-piece cuff chosen for upper arm size was used for reference measurements. Accuracy criteria 1 and 2 of the ISO standard were determined and Bland-Altman plots generated.

Results: Sixty percent of the study sample was female and 42% had hypertension. Mean device-to-reference standard differences in SBP/DBP were 0.0 ± 6.2/-0.2 ± 6.3 for criterion 1 and 0.0 ± 4.8/-0.2 ± 5.8 for criterion 2.

Conclusion: The BIOS BD240 passed the requirements of the American National Standards Institute/Association for the Advancement of Medical Instrumentation/ISO standard for both SBP and DBP and can be recommended for use.
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http://dx.doi.org/10.1097/MBP.0000000000000444DOI Listing
June 2020

: from visualization to analysis, design and prediction.

J Appl Crystallogr 2020 Feb 1;53(Pt 1):226-235. Epub 2020 Feb 1.

Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK.

The program , developed at the Cambridge Crystallographic Data Centre, was originally designed primarily as a crystal structure visualization tool. Over the years the fields and scientific communities of chemical crystallography and crystal engineering have developed to require more advanced structural analysis software. has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure visualization.
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http://dx.doi.org/10.1107/S1600576719014092DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6998782PMC
February 2020

A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts.

Chem Rev 2019 08 17;119(16):9427-9477. Epub 2019 Jun 17.

Cambridge Crystallographic Data Centre , 12 Union Road , Cambridge CB2 1EZ , United Kingdom.

The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has reaped dividends in numerous and diverse areas of chemical research. Each of the million or so crystal structures in the database was solved for its own particular reason, but collected together, the structures can be reused to address a multitude of new problems. In this Review, which is focused mainly on the last 10 years, we chronicle the contribution of the CSD to research into molecular geometries, molecular interactions, and molecular assemblies and demonstrate its value in the design of biologically active molecules and the solid forms in which they are delivered. Its potential in other commercially relevant areas is described, including gas storage and delivery, thin films, and (opto)electronics. The CSD also aids the solution of new crystal structures. Because no scientific instrument is without shortcomings, the limitations of CSD research are assessed. We emphasize the importance of maintaining database quality: notwithstanding the arrival of big data and machine learning, it remains perilous to ignore the principle of garbage in, garbage out. Finally, we explain why the CSD must evolve with the world around it to ensure it remains fit for purpose in the years ahead.
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http://dx.doi.org/10.1021/acs.chemrev.9b00155DOI Listing
August 2019

Investigation of Mixture Modelling Algorithms as a Tool for Determining the Statistical Likelihood of Serological Exposure to Filariasis Utilizing Historical Data from the Lymphatic Filariasis Surveillance Program in Vanuatu.

Trop Med Infect Dis 2019 Mar 8;4(1). Epub 2019 Mar 8.

College of Public Health, Medical and Veterinary Sciences, James Cook University, Cairns, QLD 4878, Australia.

As the prevalence of lymphatic filariasis declines, it becomes crucial to adequately eliminate residual areas of endemicity and implement surveillance. To this end, serological assays have been developed, including the Bm14 Filariasis CELISA which recommends a specific optical density cut-off level. We used mixture modelling to assess positive cut-offs of Bm14 serology in children in Vanuatu using historical OD (Optical Density) ELISA values collected from a transmission assessment survey (2005) and a targeted child survey (2008). Mixture modelling is a statistical technique using probability distributions to identify subpopulations of positive and negative results (absolute cut-off value) and an 80% indeterminate range around the absolute cut-off (80% cut-off). Depending on programmatic choices, utilizing the lower 80% cut-off ensures the inclusion of all likely positives, however with the trade-off of lower specificity. For 2005, country-wide antibody prevalence estimates varied from 6.4% (previous cut-off) through 9.0% (absolute cut-off) to 17.3% (lower 80% cut-off). This corroborated historical evidence of hotspots in Pentecost Island in Penama province. For 2008, there were no differences in the prevalence rates using any of the thresholds. In conclusion, mixture modelling is a powerful tool that allows closer monitoring of residual transmission spots and these findings supported additional monitoring which was conducted in Penama in later years. Utilizing a statistical data-based cut-off, as opposed to a universal cut-off, may help guide program decisions that are better suited to the national program.
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http://dx.doi.org/10.3390/tropicalmed4010045DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6473238PMC
March 2019

First-Line Treatment of Patients With Indolent Non-Hodgkin Lymphoma or Mantle-Cell Lymphoma With Bendamustine Plus Rituximab Versus R-CHOP or R-CVP: Results of the BRIGHT 5-Year Follow-Up Study.

J Clin Oncol 2019 04 27;37(12):984-991. Epub 2019 Feb 27.

14 US Oncology Research, The Woodlands, TX.

Purpose: The BRIGHT study ( ClinicalTrials.gov identifier: NCT00877006) was initiated to compare the efficacy and safety of bendamustine plus rituximab (BR) with either rituximab plus cyclophosphamide, doxorubicin, vincristine, and prednisone (R-CHOP) or rituximab plus cyclophosphamide, vincristine, and prednisone (R-CVP) for treatment-naive patients with indolent non-Hodgkin lymphoma or mantle-cell lymphoma. This publication provides long-term follow-up data.

Patients And Methods: Patients were monitored for a minimum of 5 years after completion of study treatment for the time-to-event end points of progression-free survival (PFS), event-free survival, duration of response, and overall survival per investigator assessment. Data on the number of patients who received second-line anticancer treatment and the occurrence of other malignancies were also collected.

Results: The medians were not reached for any of the time-to event end points for either the BR or R-CHOP/R-CVP study treatment groups by study completion. PFS rates at 5 years were 65.5% in the BR treatment group and 55.8% in the R-CHOP/R-CVP group. The difference in PFS was considered significant with a hazard ratio of 0.61 (95% CI, 0.45 to 0.85; = .0025). The hazard ratio for event-free survival and duration of response ( = .0020 and .0134, respectively) also favored the BR regimen over R-CHOP/R-CVP. However, no significant difference in overall survival was observed. The overall safety profiles of BR, R-CHOP, and R-CVP were as expected; no new safety data were collected during long-term follow-up. A higher number of secondary malignancies was noted in the BR treatment group.

Conclusion: Overall, BR demonstrated better long-term disease control than R-CHOP/R-CVP and should be considered as a first-line treatment option for patients with indolent and mantle-cell lymphoma.
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http://dx.doi.org/10.1200/JCO.18.00605DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6494265PMC
April 2019

Cost-effectiveness of home blood pressure telemonitoring and case management in the secondary prevention of cerebrovascular disease in Canada.

J Clin Hypertens (Greenwich) 2019 02 20;21(2):159-168. Epub 2018 Dec 20.

Department of Medicine, University of Alberta, Edmonton, Alberta, Canada.

Home blood pressure (BP) telemonitoring and pharmacist case management reduce BP, but cost-effectiveness assessments are mixed. We examined the incremental cost-effectiveness of this intervention vs usual care in Canadians with cerebrovascular disease. A Markov decision model cost-utility analysis examining community-residing, high-risk patients with a recent nondisabling cerebrovascular event was created. A lifetime time horizon and health care payer perspective were used. Achieved BP, future cardiovascular risks, and attendant consequences on quality-adjusted life years and Canadian dollar costs were modeled. BP telemonitoring was assumed to occur for 3 months, then quarterly. Life tables were used to determine overall mortality, adjusted by cardiovascular disease mortality. Relative efficacies of intervention-associated BP lowering, resource use, and costs were obtained from Canadian published literature. Reduction in systolic BP of 9.7 mmHg was used in the base case; subsequently, robust sensitivity analyses were conducted. The results showed that, over the lifetime horizon, telemonitoring with case management led to net health care savings of $1929 Canadian and increased per-patient QALYs by 0.83. These findings were robust to sensitivity analysis, with the intervention remaining dominant or highly cost-effective. Increasing telemonitoring costs by 50% still resulted in the intervention being dominant; if the costs of telemonitoring plus case management were 2-3 times base case cost, incremental cost-effectiveness was $1200-$4700 per quality-adjusted life year gained. In conclusion, home BP telemonitoring and pharmacist case management poststroke lowered costs and improved QALYs. Strategies and funding for broad implementation of this dominant strategy should be implemented.
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http://dx.doi.org/10.1111/jch.13459DOI Listing
February 2019

Combining different diagnostic studies of lymphatic filariasis for risk mapping in Papua New Guinea: a predictive model from microfilaraemia and antigenaemia prevalence surveys.

Trop Med Health 2018 4;46:41. Epub 2018 Dec 4.

3College of Public Health, Medical and Veterinary Sciences, James Cook University, Cairns, QLD 4870 Australia.

Background: The Global Programme to Eliminate Lymphatic Filariasis has encouraged countries to follow a set of guidelines to help them assess the need for mass drug administration and evaluate its progress. Papua New Guinea (PNG) is one of the highest priority countries in the Western Pacific for lymphatic filariasis and the site of extensive research on lymphatic filariasis and surveys of its prevalence. However, different diagnostic tests have been used and thresholds for each test are unclear.

Methods: We reviewed the prevalence of lymphatic filariasis reported in 295 surveys conducted in PNG between 1990 and 2014, of which 65 used more than one test. Results from different diagnostics were standardised using a set of criteria that included a model to predict antigen prevalence from microfilariae prevalence. We mapped the point location of each of these surveys and categorised their standardised prevalence estimates.

Results: Several predictive models were produced and investigated, including the effect of any mass drug administration and number of rounds prior to the surveys. One model was chosen based on goodness of fit parameters and used to predict antigen prevalence for surveys that tested only for microfilariae. Standardised prevalence values show that 72% of all surveys reported a prevalence above 0.05. High prevalence was situated on the coastal north, south and island regions, while the central highland area of Papua New Guinea shows low levels of prevalence.

Conclusions: Our study is the first to provide an explicit predictive relationship between the prevalence values based on empirical results from antigen and microfilaria tests, taking into account the occurrence of mass drug administration. This is a crucial step to combine studies to develop risk maps of lymphatic filariasis for programme planning and evaluation, as shown in the case of Papua New Guinea.
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http://dx.doi.org/10.1186/s41182-018-0123-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6280391PMC
December 2018

Usability and Acceptability of a Home Blood Pressure Telemonitoring Device Among Community-Dwelling Senior Citizens With Hypertension: Qualitative Study.

JMIR Aging 2018 Jul 24;1(2):e10975. Epub 2018 Jul 24.

Department of Medicine, University of Alberta, Edmonton, AB, Canada.

Background: Hypertension is a major cause of cardiovascular disease in older individuals. To ensure that blood pressure (BP) levels are within the optimal range, accurate BP monitoring is required. Contemporary hypertension clinical practice guidelines strongly endorse the use of home BP measurement as a preferred method of BP monitoring for individuals with hypertension. The benefits of home BP monitoring may be optimized when measurements are telemonitored to care providers; however, this may be challenging for older individuals with less technological capabilities.

Objective: The objective of this qualitative study was to examine the usability and acceptability of a home BP telemonitoring device among senior citizens.

Methods: We conducted a qualitative descriptive study. Following a 1-week period of device use, individual, semistructured interviews were conducted. Interview audio recordings were anonymized, de-identified, and transcribed verbatim. We performed thematic analysis on interview transcripts.

Results: Seven senior citizens participated in the usability testing of the home BP telemonitoring device. Participants comprised females (n=4) and males (n=3) with a mean age of 86 years (range, 70-95 years). Overall, eight main themes were identified from the interviews: (1) positive features of the device; (2) difficulties or problems with the device; (3) device was simple to use; (4) comments about wireless capability and components; (5) would recommend device to someone else; (6) would use device in future; (7) suggestions for improving the device; and (8) assistance to use device. Additional subthemes were also identified.

Conclusions: Overall, the home BP telemonitoring device had very good usability and acceptability among community-dwelling senior citizens with hypertension. To enhance its long-term use, few improvements were noted that may mitigate some of the relatively minor challenges encountered by the target population.
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http://dx.doi.org/10.2196/10975DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6716488PMC
July 2018

Justification for the EPA's transparency rule.

Authors:
Peter Wood

Nature 2018 07;559(7713):181

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http://dx.doi.org/10.1038/d41586-018-05677-xDOI Listing
July 2018

Surveillance efforts after mass drug administration to validate elimination of lymphatic filariasis as a public health problem in Vanuatu.

Trop Med Health 2017 16;45:18. Epub 2017 Jun 16.

WHO Office of the Representative for the South Pacific and Division of Pacific Technical Support, Suva, Fiji.

Background: Vanuatu was formerly highly endemic for lymphatic filariasis (LF), caused by and transmitted by mosquitoes. After a baseline survey showing 4.8% antigen prevalence in 1998, the country conducted nationwide (in one implementation unit) annual mass drug administration (MDA) with albendazole and diethylcarbamazine citrate from 2000 to 2004 and achieved prevalence of 0.2% by 2006 in a representative nationwide cluster survey among all age groups.

Methods: Post MDA surveillance was conducted from 2006 to 2012. After MDA, the country was divided for surveillance into three evaluation units (EUs) formed by grouping provinces according to baseline prevalence: EU1: Torba, Sanma and Malampa; EU2: Penama; EU3: Shefa and Tafea. The study compiled all past data and information on surveys in Vanuatu from the country programme. This paper reviews the surveillance activities done after stopping MDA to validate the interruption of transmission and elimination of LF as a public health problem.

Results: Post-MDA surveillance consisting of at least three transmission assessment surveys (TAS) in each of the three EUs was conducted between 2006 and 2012. Sentinel and spot check surveys identified a few villages with persistent high prevalence; all antigen positive cases in these sites were treated and additional targeted MDA conducted for 3 years in 13 villages in one area of concern. All three EUs passed all TAS in 2007, 2010 and 2012 respectively, with no positives found except in EU2 (Penama province) in 2012 when 2 children tested positive for circulating filariasis antigen. Assessment of the burden of chronic filariasis morbidity found 95 cases in 2003 and 32 remaining cases in 2007, all aged over 60 years.

Conclusions: Vanuatu has achieved validation of elimination of LF as a public health problem. Post-validation surveillance is still recommended especially in formerly highly endemic areas.
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http://dx.doi.org/10.1186/s41182-017-0057-6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5472907PMC
June 2017

Impact of the Lymphatic Filariasis Control Program towards elimination of filariasis in Vanuatu, 1997-2006.

Trop Med Health 2017 1;45. Epub 2017 Jun 1.

Nagasaki University, Nagasaki, Japan.

Background: Lymphatic filariasis (LF) occurs when filarial parasites are transmitted to humans through mosquitoes. The filarial worms affect the lymphatic system which leads to abnormal enlargement of body parts, chronic pain, disability, and social discrimination. In 1999, a commitment was made to eliminate LF from the Pacific Region by 2010. The Pacific Program to Eliminate LF began, with Vanuatu being one of the 16 endemic countries included in this program.

Methods: In 1997/1998 a LF prevalence baseline survey was conducted to determine the need for mass drug administration (MDA) in Vanuatu. In 1999, the Vanuatu Lymphatic Filariasis Control Program was established, and nationwide MDA was implemented from 2000 to 2004. LF prevalence was collected during the MDA through sentinel site and spot check surveys, and after 5 years of MDA. MDA implementation methods included health worker training, social mobilization, and culturally appropriate health promotion strategies.

Results: LF prevalence at baseline was 4.79%; after MDA this declined to 0.16% in 2005/2006. Average MDA coverage ranged from 75.5-81.5% across 5 years. All three evaluation units surveyed in 2005/2006 were below the 1% threshold required to stop MDA.

Conclusions: The LF Control Program between 1997 and 2006 was successful in reducing LF prevalence to <1%. High MDA coverage was a critical component of this success. This period of the Vanuatu LF Control Program played an important role in helping to eliminate LF in Vanuatu.
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http://dx.doi.org/10.1186/s41182-017-0047-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5452608PMC
June 2017

Use of the PIXEL method to investigate gas adsorption in metal-organic frameworks.

CrystEngComm 2016 May 20;18(18):3273-3281. Epub 2016 Apr 20.

EaStCHEM School of Chemistry and Centre for Science at Extreme Conditions , The University of Edinburgh , King's Buildings , West Mains Road , Edinburgh , EH9 3FJ , UK . Email: ; ; Tel: +44 (0)131 650 5804.

PIXEL has been used to perform calculations of adsorbate-adsorbent interaction energies between a range of metal-organic frameworks (MOFs) and simple guest molecules. Interactions have been calculated for adsorption between MOF-5 and Ar, H, and N; Zn(BDC)(TED) (BDC = 1,4-benzenedicarboxylic acid, TED = triethylenediamine) and H; and HKUST-1 and CO. The locations of the adsorption sites and the calculated energies, which show differences in the Coulombic or dispersion characteristic of the interaction, compare favourably to experimental data and literature energy values calculated using density functional theory.
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http://dx.doi.org/10.1039/c6ce00555aDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5361143PMC
May 2016

Home Blood Pressure Telemonitoring: Rationale for Use, Required Elements, and Barriers to Implementation in Canada.

Can J Cardiol 2017 05 3;33(5):619-625. Epub 2017 Jan 3.

Department of Medicine, University of Alberta, Edmonton, Alberta, Canada. Electronic address:

Contemporary hypertension guidelines strongly endorse the use of home blood pressure (BP) monitoring for hypertension diagnosis and management. However, barriers exist that prevent optimal use of home BP measurements. Patients might not follow the recommended home BP measurement protocol, might not take the required number of readings, and/or might report only selected readings to their providers. Providers might not calculate the mean (used for clinical decision-making) and/or incorporate home BP measurements into the medical record. Use of home BP telemonitoring, defined as the process by which home BP readings are securely teletransmitted and summarized within a health care portal or electronic medical record for provider use, might overcome these barriers. Telemonitoring, especially when combined with protocolized case management, leads to statistically significant and clinically important BP reductions, and improvements in overall BP control. Despite evidence supporting its use, home BP telemonitoring is not widely used in Canada. Barriers to adoption can be classified as structural and financial. Although technological advancements have made telemonitoring highly feasible, infrastructure is lacking, and implementation remains a challenge; this is especially true with respect to creating simple and cost-effective systems that are user-friendly and acceptable to patients as well as to providers. Ensuring data security is crucial to successful implementation, as is developing appropriate reimbursement models for providers. If these barriers can be overcome, home BP telemonitoring has the potential to make care provision easier and more convenient for patients and providers, while improving BP control in Canadians with hypertension.
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http://dx.doi.org/10.1016/j.cjca.2016.12.018DOI Listing
May 2017

The Epidemiology of Malaria in Kutubu, Southern Highlands Province, Papua New Guinea, before and during a Private Sector Initiative for Malaria Control.

Trop Med Infect Dis 2017 Feb 10;2(1). Epub 2017 Feb 10.

Oil Search Foundation, PO Box 842, Port Moresby, Papua New Guinea.

Papua New Guinea (PNG) has a significant malaria burden, is resource constrained, and has isolated populations with limited access to health services. Home-based management is a key element of the national program that supports strategies of early detection, diagnosis and treatment. We describe the epidemiology of malaria near Lake Kutubu in the Southern Highlands Province through reported data on suspected and confirmed malaria in patients accessing public health facilities or using a novel, incentivised, social marketing approach for malaria treatment at the village level. Monthly case data reported by nine health facilities and 14 village-based providers, known as Marasin Stoa Kipas (MSK), were extracted from outpatient registers and MSK malaria case forms. Descriptive statistics of diagnostic use, monthly incidence, test positivity rate and species distribution were estimated. Summary statistics of service delivery demonstrate patient access and diagnostic coverage in program areas. From May 2005 to September 2013, 15,726 individuals were tested with either rapid diagnostic test and/or microscopy at health facilities, and 42% had a positive result for malaria (n = 6604); of these 67.1% (n = 4431) were positive for P. falciparum (alone or mixed) and 32.9% were positive for non-P. falciparum species (alone or mixed). From October 2007 to September 2013, 9687 individuals were tested with either RDT and/or microscopy at MSK sites and 44.2% (n = 4283) tested positive for malaria; of these, 65.3% (n = 2796) were positive for P. falciparum, while 34.7% (n = 1487) were positive for non-P. falciparum species. Up to April 2010 there was an intermittent and upward trend in the reported incidence of all species of confirmed malaria, reaching 50 per 1000 population per month for both sites combined, followed by a steady decline to four per 1000 population per month in 2013, with P. vivax the most common infection. This study is the most recent longitudinal overview of malaria in the Southern Highlands since 2003. It outlines patient access to a community-based model of care. The analysis shows changes in health facility versus MSK use, a strongly decreasing trend in incidence of confirmed malaria from 2010 to 2013, and a shift from predominantly P. falciparum to P. vivax infection.
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http://dx.doi.org/10.3390/tropicalmed2010002DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6082053PMC
February 2017

The T-cell Receptor Repertoire Influences the Tumor Microenvironment and Is Associated with Survival in Aggressive B-cell Lymphoma.

Clin Cancer Res 2017 Apr 20;23(7):1820-1828. Epub 2016 Sep 20.

University of Queensland Diamantina Institute, Translational Research Institute, University of Queensland, Australia.

To investigate the relationship between the intra-tumoral T-cell receptor (TCR) repertoire and the tumor microenvironment (TME) in diffuse large B-cell lymphoma (DLBCL) and the impact of TCR on survival. We performed high-throughput unbiased TCRβ sequencing on a population-based cohort of 92 patients with DLBCL treated with conventional (i.e., non-checkpoint blockade) frontline "R-CHOP" therapy. Key immune checkpoint genes within the TME were digitally quantified by nanoString. The primary endpoints were 4-year overall survival (OS) and progression-free survival (PFS). The TCR repertoire within DLBCL nodes was abnormally narrow relative to non-diseased nodal tissues ( < 0.0001). In DLBCL, a highly dominant single T-cell clone was associated with inferior 4-year OS rate of 60.0% [95% confidence interval (CI), 31.7%-79.6%], compared with 79.8% in patients with a low dominant clone (95% CI, 66.7%-88.5%; = 0.005). A highly dominant clone also predicted inferior 4-year PFS rate of 46.6% (95% CI, 22.5%-76.6%) versus 72.6% (95% CI, 58.8%-82.4%, = 0.008) for a low dominant clone. In keeping, clonal expansions were most pronounced in the EBV DLBCL subtype that is known to express immunogenic viral antigens and is associated with particularly poor outcome. Increased T-cell diversity was associated with significantly elevated , and immune checkpoint molecules. Put together, these findings suggest that the TCR repertoire is a key determinant of the TME. Highly dominant T-cell clonal expansions within the TME are associated with poor outcome in DLBCL treated with conventional frontline therapy. .
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http://dx.doi.org/10.1158/1078-0432.CCR-16-1576DOI Listing
April 2017

Global terrestrial Human Footprint maps for 1993 and 2009.

Sci Data 2016 08 23;3:160067. Epub 2016 Aug 23.

Wildlife Conservation Society, Global Conservation Program, Bronx, New York 10460, USA.

Remotely-sensed and bottom-up survey information were compiled on eight variables measuring the direct and indirect human pressures on the environment globally in 1993 and 2009. This represents not only the most current information of its type, but also the first temporally-consistent set of Human Footprint maps. Data on human pressures were acquired or developed for: 1) built environments, 2) population density, 3) electric infrastructure, 4) crop lands, 5) pasture lands, 6) roads, 7) railways, and 8) navigable waterways. Pressures were then overlaid to create the standardized Human Footprint maps for all non-Antarctic land areas. A validation analysis using scored pressures from 3114×1 km(2) random sample plots revealed strong agreement with the Human Footprint maps. We anticipate that the Human Footprint maps will find a range of uses as proxies for human disturbance of natural systems. The updated maps should provide an increased understanding of the human pressures that drive macro-ecological patterns, as well as for tracking environmental change and informing conservation science and application.
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http://dx.doi.org/10.1038/sdata.2016.67DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5127486PMC
August 2016