Natural & Computing Sciences

  • Meston Building, Meston Walk, Old Aberdeen

    AB24 3UE

Research Output 1972 2020

2019

Heterologous expression of a cryptic gene cluster from Streptomyces leeuwenhoekii C34T yields a novel lasso peptide, leepeptin

Gomez-Escribano, J. P., Castro, J. F., Razmilic, V., Jarmusch, S. A., Saalbach, G., Ebel, R., Jaspars, M., Andrews, B., Asenjo, J. A. & Bibb, M. J., 1 Dec 2019, In : Applied and Environmental Microbiology. 85, 23, 13 p., e01752-19.

Research output: Contribution to journalArticle

Open Access
File
Streptomyces
Multigene Family
multigene family
peptide
peptides
4 Citations (Scopus)

Hexagonal perovskite derivatives: a new direction in the design of oxide ion conducting materials

Fop, S., McCombie, K. S., Wildman, E. J., Skakle, J. M. S. & Mclaughlin, A. C., 2019, In : Chemical Communications. 55, 15, p. 2127-2137 11 p.

Research output: Contribution to journalArticle

Perovskite
Oxides
Ions
Derivatives
perovskite
5 Downloads (Pure)

Hierarchical MnOx/ZSM-5 as heterogeneous catalysts in conversion of delignified rice husk to levulinic acid

Krisnandi, Y. K., Nurani, D. A., Agnes, A., Pertiwi, R., Antra, N. F., Anggraeni, A. R., Azaria, A. P. & Howe, R. F., 1 Jan 2019, In : Indonesian Journal of Chemistry. 19, 1, p. 115-123 9 p.

Research output: Contribution to journalArticle

Open Access
File
Catalysts
Zeolites
Energy dispersive spectroscopy
Hierarchical systems
levulinic acid
4 Downloads (Pure)

High-precision isotopic analysis sheds new light on mercury metabolism in long-finned pilot whales (Globicephala melas)

Bolea-Fernandez, E., Rua-Ibarz, A., Krupp, E. M., Feldmann, J. & Vanhaecke, F., 13 May 2019, In : Scientific Reports. 9, 7262.

Research output: Contribution to journalArticle

Open Access
File
isotopic analysis
whale
metabolism
muscle
lactation

Hopf cocycle deformations and invariant theory

Meir, E., 13 May 2019, In : Mathematische Zeitschrift.

Research output: Contribution to journalArticle

Open Access
Invariant Theory
Deformation Theory
Cocycle
Group Algebra
Hopf Algebra

Hopf Invariants for sectional category with applications to topological robotics

González, J., Grant, M. & Vandembroucq, L., 15 Jul 2019, In : Quarterly Journal of Mathematics. 38 p.

Research output: Contribution to journalArticle

Hopf Invariant
Topological Complexity
Robotics
Lusternik-Schnirelmann Category
Cell Complex

How cations determine the interfacial potential profile: relevance for the CO2 reduction reaction

Hussain, G., Pérez-Martinez, L., Le, J-B., Papasizza, M., Cabello, G., Cheng, J. & Cuesta, A., 11 Oct 2019, In : Electrochimica Acta. 327, 8 p., 135055.

Research output: Contribution to journalArticle

Cations
Positive ions
Carbon Monoxide
Polarization
Molecules
1 Citation (Scopus)

Human health, legislative and socioeconomic issues caused by the fish-borne zoonotic parasite Anisakis: Challenges in risk assessment

Bao, M., Pierce, G. J., Strachan, N. J. C., Pascual, S., González-Muñoz, M. & Levsen, A., 30 Apr 2019, In : Trends in Food Science and Technology. 86, p. 298-310 13 p.

Research output: Contribution to journalReview article

Anisakis
Zoonoses
risk assessment
human health
socioeconomics
6 Downloads (Pure)

Hybrid Mechanisms for On-Demand Transport

Egan, M., Oren, N. & Jakob, M., 9 Jan 2019, In : Transactions on Intelligent Transportation Systems.

Research output: Contribution to journalArticle

Open Access
File
Profitability
Costs
4 Downloads (Pure)

Hydrogen-bonded molecular salts of reduced benzothiazole derivatives with carboxylates: a robust R_2^2(8) supramolecular motif (even when disordered)

Shaibah, M. A. E., Sagar, B. K., Yathirajan, H. S., Cordes, D. B., Slawin, A. M. Z. & Harrison, W. T. A., 1 Feb 2019, In : Acta Crystallographica Section E: Crystallographic Communications. 75, 2, p. 167-174 8 p.

Research output: Contribution to journalArticle

Open Access
File
carboxylates
Cations
Bromobenzoates
Hydrogen
Succinic Acid

Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations

Mant, B. P., Law, M. M. & Strasburger, K., 28 Sep 2019, In : Journal of Physics B: Atomic and Molecular Physics. 52, 18, 185201.

Research output: Contribution to journalArticle

Open Access
File
potential energy
rigid rotors
hydrogen
scattering
atoms
1 Downloads (Pure)

Hyperchaos synchronization using univariate impulse control

Tian, K., Bai, C., Ren, H-P. & Grebogi, C., Nov 2019, In : Physical Review. E, Statistical, Nonlinear and Soft Matter Physics. 100, 5, 8 p., 052215.

Research output: Contribution to journalArticle

Open Access
File
Hyperchaos
Impulse Control
Univariate
impulses
synchronism

Impaired dynamic cerebral autoregulation in patients with cerebral amyloid angiopathy

Reinhard, M., Lorenz, L., Sommerlade, L., Allignol, A., Urbach, H., Weiller, C. & Egger, K., 15 Aug 2019, In : Brain Research. 1717, p. 60-65 6 p.

Research output: Contribution to journalArticle

Cerebral Amyloid Angiopathy
Homeostasis
Posterior Cerebral Artery
Magnetic Resonance Imaging
Siderosis

Inferring Structure and Parameters of Dynamic Systems using Latin Hypercube Sampling Multi Dimensional Uniformity-Particle Swarm Optimization

Usman, M., Awad, A., Pang, W. & Coghill, G. M., 13 Jul 2019, GECCO 2019 Companion - Proceedings of the 2019 Genetic and Evolutionary Computation Conference Companion. López-Ibáñez, M., Auger, A. & Stützle, T. (eds.). New York, USA: ACM, p. 101-102 2 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Particle swarm optimization (PSO)
Dynamical systems
Sampling
Time series
Costs
2 Downloads (Pure)

Influence of Plant Species, Tissue Type, and Temperature on the Capacity of Shiga-Toxigenic Escherichia coli To Colonize, Grow, and Be Internalized by Plants

Merget, B., Forbes, K. J., Brennan, F., McAteer, S., Shepherd, T., Strachan, N. J. C. & Holden, N. J., Jun 2019, In : Applied and Environmental Microbiology. 85, 11, 16 p., e00123-19.

Research output: Contribution to journalArticle

Open Access
File
Shiga-Toxigenic Escherichia coli
Shiga toxin-producing Escherichia coli
Temperature
temperature
plant extract

Influence of pretreatment on surface interaction between Cu and anatase-TiO2 in the simultaneous photoremediation of nitrate and oxalic acid

Adamu, H., McCue, A. J., Taylor, R. S. F., Manyar, H. G. & Anderson, J. A., 1 Apr 2019, In : Journal of Environmental Chemical Engineering. 7, 2, 12 p., 103029.

Research output: Contribution to journalArticle

Oxalic Acid
Nitrates
Calcination
Differential thermal analysis
X ray photoelectron spectroscopy
1 Citation (Scopus)

In-situ infrared spectroscopy applied to the study of the electrocatalytic reduction of CO2: Theory, practice and challenges

Kas, R., Ayemoba, O., Firet, N. J., Middelkoop, J., Smith, W. A. & Cuesta, A., 19 Nov 2019, In : ChemPhysChem. 20, 22, p. 2904-2925 22 p.

Research output: Contribution to journalArticle

Reaction intermediates
Infrared spectroscopy
infrared spectroscopy
Spectroscopy
Infrared radiation
1 Citation (Scopus)

Integrating Out Nuisance Parameters for Computationally More Efficient Bayesian Estimation: An Illustration and Tutorial

Hecht, M., Gische, C., Vogel, D. & Zitzmann, S., 24 Sep 2019, In : Structural Equation Modeling. 11 p.

Research output: Contribution to journalArticle

Open Access
Efficient Estimation
Nuisance Parameter
Bayesian Estimation
Structural Equation Modeling
Intercept

Investigating the role of band offset on the property and op-eration of the potential well barrier diodes

Akura, M. & Dunn, G., May 2019, In : physica status solidi (c). 256, 5, 1800284.

Research output: Contribution to journalArticle

diodes
heterojunctions
coefficients
aluminum gallium arsenides
space charge
1 Citation (Scopus)

Investigation of Penicillin Binding Protein (PBP)-like Peptide Cyclase and Hydrolase in Surugamide Non-ribosomal Peptide Biosynthesis

Zhou, Y., Lin, X., Xu, C., Shen, Y., Wang, S-P., Liao, H., Li, L., Deng, H. & Lin, H-W., 16 May 2019, In : Cell chemical biology. 26, 5, p. 737-744 8 p.

Research output: Contribution to journalArticle

Nucleic Acid-Independent Peptide Biosynthesis
Peptide Synthases
Penicillin-Binding Proteins
Peptide Hydrolases
Cyclic Peptides
1 Citation (Scopus)

Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering

Hawkins, A. P., O'Malley, A. J., Zachariou, A., Collier, P., Ewings, R. A., Silverwood, I. P., Howe, R. F., Parker, S. F. & Lennon, D., 1 Oct 2019, In : Journal of Physical Chemistry C. 123, 1, p. 417-425 9 p.

Research output: Contribution to journalArticle

Zeolites
Alkanes
Neutron scattering
Paraffins
alkanes
1 Citation (Scopus)
4 Downloads (Pure)

Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering

Zachariou, A., Hawkins, A., Lennon, D., Parker, S. F., Suwardiyanto, Matam, S. K., Catlow, C. R. A., Collier, P., Hameed, A., McGregor, J. & Howe, R. F., 5 Jan 2019, In : Applied Catalysis A: General. 569, p. 1-7 7 p.

Research output: Contribution to journalArticle

Open Access
File
Inelastic neutron scattering
Catalysts
Hydrocarbons
Coke
Methanol

In vitro reconstitution of the biosynthetic pathway of 3-hydroxypicolinic acid

Yun, X., Zhang, Q., Lv, M., Deng, H., Deng, Z. & Yu, Y., 21 Jan 2019, In : Organic & Biomolecular Chemistry. 17, 3, p. 454-460 7 p.

Research output: Contribution to journalArticle

Biosynthetic Pathways
acids
Hydroxylation
Metabolites
dimethylaniline monooxygenase (N-oxide forming)
5 Citations (Scopus)

Iron-based photocatalytic and photoelectrocatalytic nano-structures: Facts, perspectives, and expectations

AlSalka, Y., Granone, L. I., Ramadan, W., Hakki, A., Dillert, R. & Bahnemann, D. W., 5 May 2019, In : Applied Catalysis B: Environmental. 244, p. 1065-1095 31 p.

Research output: Contribution to journalArticle

Iron
iron
Photocatalysis
Photocatalysts
Nanostructures

Is ArguMessage Effective? A Critical Evaluation of the Persuasive Message Generation System

Thomas, R. J., Masthoff, J. & Oren, N., 2019, Persuasive Technology: Development of Persuasive and Behavior Change Support Systems - 14th International Conference, PERSUASIVE 2019, Proceedings. Oinas-Kukkonen, H., Win, K. T., Karapanos, E., Karppinen, P. & Kyza, E. (eds.). Cham: Springer-Verlag, p. 87-99 13 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 11433 LNCS).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Copying
Argumentation
Electronic mail
Data storage equipment
Evaluation

Knowledge-Driven Intelligent Survey Systems Towards Open Science

Edelstein, E., Pan, J. Z., Soares, R. & Wyner, A., 25 Jul 2019, (Accepted/In press) In : New Generation Computing.

Research output: Contribution to journalArticle

Open Access
Open systems
Open Systems
Linguistics
Semantics
Graph in graph theory
1 Citation (Scopus)
2 Downloads (Pure)

Knowledge-driven stock trend prediction and explanation via temporal convolutional network

Deng, S., Zhang, N., Zhang, W., Chen, J., Pan, J. Z. & Chen, H., 13 May 2019, Companion Proceedings of the 2019 World Wide Web Conference (WWW ’19 Companion). Liu, L. & White, R. (eds.). New York: Association for Computing Machinery, Inc, p. 678-685 8 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
File
Experiments
Deep neural networks

Landmark-Based Approaches for Goal Recognition as Planning

Pereira, R. F., Oren, N. & Meneguzzi, F., 4 Dec 2019, In : Artificial Intelligence.

Research output: Contribution to journalArticle

planning procedure
Planning
planning
heuristics
Landmarks

Latent Space Factorisation and Manipulation via Matrix Subspace Projection

Li, X., Lin, C., Wang, C. & Guerin, F., 26 Jul 2019, (Submitted) ArXiv, 10 p.

Research output: Working paper

Factorization

LatinPSO: An algorithm for simultaneously inferring structure and parameters of ordinary differential equations models

Tian, X., Pang, W., Wang, Y., Guo, K. & Zhou, Y., Aug 2019, In : BioSystems. 182, p. 8-16 9 p.

Research output: Contribution to journalArticle

Ordinary differential equations
Ordinary differential equation
HIV
Latin Hypercube Sampling
Identification Problem
2 Citations (Scopus)

LC-HRMS-Database Screening Metrics for Rapid Prioritization of Samples to Accelerate the Discovery of Structurally New Natural Products

Tabudravu, J. N., Pellissier, L., Smith, A. J., Subko, K., Autréau, C., Feussner, K., Hardy, D., Butler, D., Kidd, R., Milton, E. J., Deng, H., Ebel, R., Salonna, M., Gissi, C., Montesanto, F., Kelly, S. M., Milne, B. F., Cimpan, G. & Jaspars, M., 2019, In : Journal of Natural Products. 82, 2, p. 211-220 10 p.

Research output: Contribution to journalArticle

Fiji
Urochordata
Workflow
Porifera
Biological Products
1 Citation (Scopus)

Legonoxamines A-B, two new hydroxamate siderophores from the soil bacterium, Streptomyces sp. MA37

Maglangit, F., Tong, M. H., Jaspars, M., Kyeremeh, K. & Deng, H., 3 Jan 2019, In : Tetrahedron Letters. 60, 1, p. 75-79 5 p.

Research output: Contribution to journalArticle

Siderophores
Streptomyces
Bacteria
Soil
Soils

Linking Abstract Plans of Scientific Experiments to their Corresponding Execution Traces

Markovic, M., Garijo, D. & Edwards, P., 21 Oct 2019, (Accepted/In press) Proceedings of the Third International Workshop on Capturing Scientific Knowledge (Sciknow 2019). CEUR-WS

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
File
Museums
Spectrometry
Precipitates
Color
Liquids
2 Citations (Scopus)
7 Downloads (Pure)

LiSEQ – whole-genome sequencing of a cross-sectional survey of Listeria monocytogenes in ready-to-eat foods and human clinical cases in Europe

Painset, A., Björkman, J. T., Kiil, K., Guillier, L., Mariet, J-F., Félix, B., Amar, C., Rotariu, O., Roussel, S., Perez-Reche, F., Brisse, S., Moura, A., Lecuit, M., Forbes, K., Strachan, N., Grant, K., Møller-Nielsen, E. & Dallman, T. J., Feb 2019, In : Microbial Genomics. 5, 2, 11 p., 000257.

Research output: Contribution to journalArticle

Open Access
File
Listeria
Listeria monocytogenes
Cross-Sectional Studies
Genome
Food

Low-temperature studies of propene oligomerization in ZSM-5 by inelastic neutron scattering spectroscopy

Hawkins, A. P., Zachariou, A., Collier, P., Ewings, R. A., Howe, R. F., Parker, S. F. & Lennon, D., 14 Jun 2019, In : RSC Advances. 9, 33, p. 18785-18790 6 p.

Research output: Contribution to journalArticle

Open Access
File
Zeolites
Oligomerization
Inelastic neutron scattering
Propylene
Spectroscopy
1 Citation (Scopus)
6 Downloads (Pure)

Lyapunov analysis of multiscale dynamics: the slow bundle of the two-scale Lorenz 96 model

Carlu, M., Ginelli, F., Lucarini, V. & Politi, A., 7 May 2019, In : Nonlinear Processes in Geophysics. 26, 2, p. 73-89 17 p.

Research output: Contribution to journalArticle

Open Access
File
bundles
degrees of freedom
ensemble forecasting
Climate models
climate models

Making Effective Use of Healthcare Data Using Data-to-Text Technology

Pauws, S., Gatt, A., Krahmer, E. & Reiter, E., 22 Mar 2019, Data Science for Healthcare: Methodologies and Applications. Consoli, S., Recupero, D. R. & Petkovic, M. (eds.). Springer , p. 119-145 27 p. 4

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Technology
Delivery of Health Care
Organizations
Patient Transfer
Artificial Intelligence
1 Citation (Scopus)
Ferrosoferric Oxide
Inductively coupled plasma mass spectrometry
Transmission Electron Microscopy
Light scattering
Nanoparticles

Microwave-assisted regeneration of solid adsorbents for CO2 capture in post-combustion processes

Fernandez Martin, C., Yassin, M. M., Afzal, W. & Anderson, J., 9 Sep 2019.

Research output: Contribution to conferencePaper

Mine-derived ochre precipitates: a potential selenium trap

Bullock, L. A., Parnell, J., Armstrong, J. G. T. & Perez, M., 2019, In : Applied Earth Science: Transactions of the Institute of Mining and Metallurgy. 128, 2, p. 41-42 2 p.

Research output: Contribution to journalArticle

Coal
Selenium
base metal
selenium
Excavation

Minimality and Simplicity of Rules for the Internet-of-Things

Panaretos, A., Corsar, D. & Vasconcelos, W. W., Apr 2019, Agreement Technologies: 6th International Conference, AT 2018, Bergen, Norway, December 6-7, 2018, Revised Selected Papers. Lujak, M. (ed.). Cham: Springer , p. 64-72 9 p. (Lecture Notes in Computer Science (LNCS); vol. 11327).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Internet of Things
Minimality
Knowledge representation
Knowledge based systems
Simplicity

Minimal primal ideals in the inner corona algebra of a C_{0}(X)-algebra

Archbold, R. J. & Somerset, D. W. B., 24 Jan 2019, (Accepted/In press) In : Houston Journal of Mathematics.

Research output: Contribution to journalArticle

Corona
Equivalence relation
Closed
Algebra
Extremally Disconnected

Mn-Loaded apolactoferrin dots for in vivo MRI and NIR-II cancer imaging

Zhou, H., Yang, H., Tang, L., Wang, Y., Li, Y., Liu, N., Zeng, X., Yan, Y., Wu, J., Chen, S., Xiao, L., Yu, Y., Deng, Z., Deng, H., Hong, X. & Xiao, Y., 21 Aug 2019, In : Journal of Materials Chemistry A. 7, 31, p. 9448-9454 7 p.

Research output: Contribution to journalArticle

Mobilisation of arsenic, selenium and uranium from Carboniferous black shales in west Ireland

Armstrong, J. G. T., Parnell, J., Bullock, L. A., Boyce, A. J., Perez, M. & Feldmann, J., Oct 2019, In : Applied Geochemistry. 109, 104401.

Research output: Contribution to journalArticle

Open Access
File
Uranium
Selenium
Trace Elements
Arsenic
Trace elements

Model-based characterization of text discourse content to evaluate online group collaboration

Adeniran, A., Masthoff, J. & Beacham, N., 2019, Artificial Intelligence in Education: Proceedings of 20th International Conference, AIED 2019. Isotani, S., Millán, E., Ogan, A., Hastings, P., McLaren, B. & Luckin, R. (eds.). Springer-Verlag, Vol. 2. p. 3-8 6 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 11626 LNAI).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Scaffolds
Visualization
Model-based
Evaluate
Online Learning
7 Citations (Scopus)
Hexanes
Chain length
curvature
synthesis
Liquid Crystals

Morita Invariance of Equivariant Lusternik-Schnirelmann Category and Invariant Topological Complexity

Angel, A., Colman, H., Grant, M. & Oprea, J., 14 Aug 2019, (Submitted) ArXiv, 14 p.

Research output: Working paper

Lusternik-Schnirelmann Category
Topological Complexity
Equivariant
Morita Equivalence
Invariance
6 Citations (Scopus)
4 Downloads (Pure)

Multi-level chirality in liquid crystals formed by achiral molecules

Salamończyk, M., Vaupotič, N., Pociecha, D., Walker, R., Storey, J. M. D., Imrie, C. T., Wang, C., Zhu, C. & Gorecka, E., 23 Apr 2019, In : Nature Communications. 10, 1922.

Research output: Contribution to journalArticle

Open Access
File
Liquid Crystals
Chirality
chirality
Nucleic Acids
Theoretical Models
9 Citations (Scopus)

Multiple strategies to decrease ignition temperature for soot combustion on ultrathin MnO2- x nanosheet array

Shi, Q., Liu, T., Li, Q., Xin, Y., Lu, X., Tang, W., Zhang, Z., Gao, P. X. & Anderson, J. A., 5 Jun 2019, In : Applied Catalysis B: Environmental. 246, p. 312-321 10 p.

Research output: Contribution to journalArticle

Soot
Nanosheets
soot
Ignition
combustion