• Herwig 7.2 release note

      Bellm, Johannes; Bewick, Gavin; Ferrario Ravasio, Silvia; Gieseke, Stefan; Grellscheid, David; Kirchgaeßer, Patrick; Loshaj, Frashër; Masouminia, Mohammad R.; Nail, Graeme; Papaefstathiou, Andreas; et al. (Springer Berlin Heidelberg, 2020-05-20)
      Abstract: A new release of the Monte Carlo event generator Herwig (version 7.2) is now available. This version introduces a number of improvements over the major version 7.0, notably: multi-jet merging with the dipole shower at LO and NLO QCD; spin correlations in both the dipole and angular-ordered parton showers; an improved choice of evolution variable in the angular-ordered parton shower; improvements to mass effects and top decays in the dipole shower, improvements to the simulation of multiple-parton interactions, including diffractive processes; a new model for baryonic colour reconnection; improvements to strangeness production; as well as a new tune of the hadronisation parameters and support for generic Lorentz structures in BSM models. This article illustrates new features of versions 7.1 and 7.2.
    • Heteroleptic actinocenes: a thorium(iv)-cyclobutadienyl-cyclooctatetraenyl-di-potassium-cyclooctatetraenyl complex.

      Boronski, Josef T; orcid: 0000-0002-1435-6337; Wooles, Ashley J; orcid: 0000-0001-7411-9627; Liddle, Stephen T; orcid: 0000-0001-9911-8778 (2020-06-10)
      Despite the vast array of η <sup><i>n</i></sup> -carbocyclic C<sub>5-8</sub> complexes reported for actinides, cyclobutadienyl (C<sub>4</sub>) remain exceedingly rare, being restricted to six uranium examples. Here, overcoming the inherent challenges of installing highly reducing C<sub>4</sub>-ligands onto actinides when using polar starting materials such as halides, we report that reaction of [Th(η<sup>8</sup>-C<sub>8</sub>H<sub>8</sub>)<sub>2</sub>] with [K<sub>2</sub>{C<sub>4</sub>(SiMe<sub>3</sub>)<sub>4</sub>}] gives [{Th(η<sup>4</sup>-C<sub>4</sub>[SiMe<sub>3</sub>]<sub>4</sub>)(μ-η<sup>8</sup>-C<sub>8</sub>H<sub>8</sub>)(μ-η<sup>2</sup>-C<sub>8</sub>H<sub>8</sub>)(K[C<sub>6</sub>H<sub>5</sub>Me]<sub>2</sub>)}<sub>2</sub>{K(C<sub>6</sub>H<sub>5</sub>Me)}{K}] (<b>1</b>), a new type of heteroleptic actinocene. Quantum chemical calculations suggest that the thorium ion engages in π- and δ-bonding to the η<sup>4</sup>-cyclobutadienyl and η<sup>8</sup>-cyclooctatetraenyl ligands, respectively. Furthermore, the coordination sphere of this bent thorocene analogue is supplemented by an η<sup>2</sup>-cyclooctatetraenyl interaction, which calculations suggest is composed of σ- and π-symmetry donations from in-plane in- and out-of-phase C[double bond, length as m-dash]C 2p-orbital combinations to vacant thorium 6d orbitals. The characterisation data are consistent with this being a metal-alkene-type interaction that is integral to the bent structure and stability of this complex.
    • Heteroleptic actinocenes: a thorium(iv)-cyclobutadienyl-cyclooctatetraenyl-di-potassium-cyclooctatetraenyl complex.

      Boronski, Josef T; orcid: 0000-0002-1435-6337; Wooles, Ashley J; orcid: 0000-0001-7411-9627; Liddle, Stephen T; orcid: 0000-0001-9911-8778 (2020-06-10)
      Despite the vast array of η -carbocyclic C complexes reported for actinides, cyclobutadienyl (C ) remain exceedingly rare, being restricted to six uranium examples. Here, overcoming the inherent challenges of installing highly reducing C -ligands onto actinides when using polar starting materials such as halides, we report that reaction of [Th(η -C H ) ] with [K {C (SiMe ) }] gives [{Th(η -C [SiMe ] )(μ-η -C H )(μ-η -C H )(K[C H Me] )} {K(C H Me)}{K}] ( ), a new type of heteroleptic actinocene. Quantum chemical calculations suggest that the thorium ion engages in π- and δ-bonding to the η -cyclobutadienyl and η -cyclooctatetraenyl ligands, respectively. Furthermore, the coordination sphere of this bent thorocene analogue is supplemented by an η -cyclooctatetraenyl interaction, which calculations suggest is composed of σ- and π-symmetry donations from in-plane in- and out-of-phase C[double bond, length as m-dash]C 2p-orbital combinations to vacant thorium 6d orbitals. The characterisation data are consistent with this being a metal-alkene-type interaction that is integral to the bent structure and stability of this complex. [Abstract copyright: This journal is © The Royal Society of Chemistry.]
    • Heterospecific Fear and Avoidance Behaviour in Domestic Horses (

      Wiśniewska, Anna; orcid: 0000-0003-1127-2960; Janczarek, Iwona; orcid: 0000-0001-9032-8840; Wilk, Izabela; orcid: 0000-0001-7958-2303; Tkaczyk, Ewelina; Mierzicka, Martyna; Stanley, Christina R; orcid: 0000-0002-5053-4831; Górecka-Bruzda, Aleksandra; orcid: 0000-0002-2770-2278 (2021-10-28)
      Ridden horses have been reported to be fearful of cows. We tested whether cows could provoke behavioural and cardiac fear responses in horses, and whether these responses differ in magnitude to those shown to other potential dangers. Twenty horses were exposed to cow, a mobile object or no object. The time spent at different distances from the stimulus was measured. In a separate test, heart rate (HR), root mean square of successive differences between heartbeats (RMSSD) and the horses' perceived fear were assessed at various distances from the stimuli. The horses avoided the area nearest to all stimuli. During hand-leading, the cow elicited the highest HR and lowest RMSSD. Led horses' responses to the cow and box were rated as more fearful as the distance to the stimulus decreased. Mares had a higher HR than geldings across all tests. HR positively correlated with the fearfulness rating at the furthest distance from the cow and box, and RMSSD negatively correlated with this rating in cow and control conditions. Our results show that these horses' avoidance response to cows was similar or higher to that shown towards a novel moving object, demonstrating that potentially, both neophobia and heterospecific communication play a role in this reaction.
    • Heterospecific Fear and Avoidance Behaviour in Domestic Horses ( Equus caballus )

      Wiśniewska, Anna; orcid: 0000-0003-1127-2960; email: anna.wisniewska@up.lublin.pl; Janczarek, Iwona; orcid: 0000-0001-9032-8840; email: iwona.janczarek@up.lublin.pl; Wilk, Izabela; orcid: 0000-0001-7958-2303; email: izabela.wilk@up.lublin.pl; Tkaczyk, Ewelina; email: ewelina.tkaczyk@up.lublin.pl; Mierzicka, Martyna; email: khiuk@up.lublin.pl; Stanley, Christina R.; orcid: 0000-0002-5053-4831; email: christina.stanley@chester.ac.uk; Górecka-Bruzda, Aleksandra; orcid: 0000-0002-2770-2278; email: a.gorecka@igbzpan.pl (MDPI, 2021-10-28)
      Ridden horses have been reported to be fearful of cows. We tested whether cows could provoke behavioural and cardiac fear responses in horses, and whether these responses differ in magnitude to those shown to other potential dangers. Twenty horses were exposed to cow, a mobile object or no object. The time spent at different distances from the stimulus was measured. In a separate test, heart rate (HR), root mean square of successive differences between heartbeats (RMSSD) and the horses’ perceived fear were assessed at various distances from the stimuli. The horses avoided the area nearest to all stimuli. During hand-leading, the cow elicited the highest HR and lowest RMSSD. Led horses’ responses to the cow and box were rated as more fearful as the distance to the stimulus decreased. Mares had a higher HR than geldings across all tests. HR positively correlated with the fearfulness rating at the furthest distance from the cow and box, and RMSSD negatively correlated with this rating in cow and control conditions. Our results show that these horses’ avoidance response to cows was similar or higher to that shown towards a novel moving object, demonstrating that potentially, both neophobia and heterospecific communication play a role in this reaction.
    • Heuristic assessment of psychological interventions in schools (HAPI Schools)

      Platt, Ian A.; orcid: 0000-0003-2497-6713; email: iap1hss@bolton.ac.uk; Kannangara, Chathurika; orcid: 0000-0001-6955-8158; Carson, Jerome; orcid: 0000-0002-7596-116X; Tytherleigh, Michelle; orcid: 0000-0003-2498-8175 (2021-05-02)
      Abstract: Children spend more time in school than in any other formal setting and, with mental illness in children on the rise, there is more pressure on schools to intervene in student mental health than ever before. In the current study, two phases of semistructured interviews were conducted with school leaders and special educational needs coordinators (Phase 1, N = 23; Phase 2, N = 11), to investigate first‐hand experiences in dealing with student mental illness. Thematic analysis, drawing on Grounded Theory, was used to identify themes. The results identified deprivation as one of the main causes of mental ill‐health in students, with insufficient budgets, inappropriate mental health services, and overly long waiting times as barriers to intervention. Difficulties in identifying appropriate mental health interventions to use in school were also reported. The authors propose a simple four‐point heuristic, for assessing the quality of school‐based mental health interventions to be used by school staff, so that educators can more readily identify appropriate mental health support for their students.
    • Heuristic assessment of psychological interventions in schools (HAPI Schools)

      Platt, Ian A.; orcid: 0000-0003-2497-6713; Kannangara, Chathurika; orcid: 0000-0001-6955-8158; Carson, Jerome; orcid: 0000-0002-7596-116X; Tytherleigh, Michelle; orcid: 0000-0003-2498-8175 (Wiley, 2021-05-02)
    • Heuristic assessment of psychological interventions in schools (HAPI Schools)

      Platt, Ian A.; orcid: 0000-0003-2497-6713; Kannangara, Chathurika; orcid: 0000-0001-6955-8158; Carson, Jerome; orcid: 0000-0002-7596-116X; Tytherleigh, Michelle; orcid: 0000-0003-2498-8175 (Wiley, 2021-05-02)
    • Hidden dynamics for piecewise smooth maps

      Glendinning, Paul; orcid: 0000-0003-1544-9161; email: p.a.glendinning@manchester.ac.uk; Jeffrey, Mike R; orcid: 0000-0002-3325-7211; email: mike.jeffrey@bristol.ac.uk (IOP Publishing, 2021-05-07)
      Abstract: We develop a hidden dynamics formulation of regularisation for piecewise smooth maps. This involves blowing up the discontinuity into an interval, but in contrast to piecewise smooth flows every preimage of the discontinuity needs to be blown up as well. This results in a construction similar to classic approaches to the Denjoy counterexample.
    • Hidden dynamics for piecewise smooth maps

      Glendinning, Paul; orcid: 0000-0003-1544-9161; email: p.a.glendinning@manchester.ac.uk; Jeffrey, Mike R; orcid: 0000-0002-3325-7211; email: mike.jeffrey@bristol.ac.uk (IOP Publishing, 2021-05-07)
      Abstract: We develop a hidden dynamics formulation of regularisation for piecewise smooth maps. This involves blowing up the discontinuity into an interval, but in contrast to piecewise smooth flows every preimage of the discontinuity needs to be blown up as well. This results in a construction similar to classic approaches to the Denjoy counterexample.
    • Hierarchical porous poly( l -lactic acid)/SiO 2 nanoparticles fibrous membranes for oil/water separation

      Lu, Zihan; orcid: 0000-0001-9835-4015; Zia, Qasim; Meng, Jinmin; Liu, Ting; Song, Jun; Li, Jiashen; email: jiashen.li@manchester.ac.uk (Springer US, 2020-09-02)
      Abstract: A two-step strategy has been developed to introduce silica nanoparticles into highly porous poly(l-lactic acid) (PLLA) nanofibers. Silica nanoparticles (SiNPs) were firstly synthesized and then modified to be hydrophobic. After PLLA/SiNPs composite fibrous membranes were electrospun and collected, they were re-crystallized by acetone at room temperature for a few minutes. With the re-arrangement of PLLA chains, the nano-/micro-electrospun fibres were transformed from non-porous ones to be porous ones with high surface area. Consequently, SiNPs that were completely covered by PLLA before acetone treatment showed up at the fibre surface. Higher PLLA crystallization also enhanced the Young’s modulus and tensile strength (420 and 8.47 MPa) of the composite membrane. However, incorporation of SiNPs into porous PLLA membranes reduced their modulus and tensile strength (280.66 and 5.92 MPa), but an increase in strain to fracture (80.82%) was observed. Scanning electron microscopy (SEM), focused ion beam SEM, transmission electron microscopy, Fourier transform infrared spectroscopy and X-ray diffraction were applied to confirm the presence of SiNP in PLLA fibres. The presence of SiNPs inside and outside fibres enhances the hydrophobicity of PLLA/SiNPs nano-fibrous membrane as the water contact angle is greater than 150°. The oil absorption of these porous composite membranes was also tested using four different oils, which can reach the highest absorption capacity when the weight ratio of PLLA and SiNPs is 1:1. The flux of prepared membranes was investigated, and results indicated that SiNPs-loaded membrane effectively enhanced the flux (5200 Lm−2 h−1).
    • High dose genistein in Sanfilippo syndrome: A randomised controlled trial

      Ghosh, Arunabha; Rust, Stewart; Langford‐Smith, Kia; Weisberg, Daniel; Canal, Maria; Breen, Catherine; Hepburn, Michelle; Tylee, Karen; Vaz, Frédéric M.; Vail, Andy; et al. (John Wiley & Sons, Inc., 2021-06-13)
      Abstract: The aim of this study was to evaluate the efficacy of high dose genistein aglycone in Sanfilippo syndrome (mucopolysaccharidosis type III). High doses of genistein aglycone have been shown to correct neuropathology and hyperactive behaviour in mice, but efficacy in humans is uncertain. This was a single centre, double‐blinded, randomised, placebo‐controlled study with open‐label extension phase. Randomised participants received either 160 mg/kg/day genistein aglycone or placebo for 12 months; subsequently all participants received genistein for 12 months. The primary outcome measure was the change in heparan sulfate concentration in cerebrospinal fluid (CSF), with secondary outcome measures including heparan sulfate in plasma and urine, total glycosaminoglycans in urine, cognitive and adaptive behaviour scores, quality of life measures and actigraphy. Twenty‐one participants were randomised and 20 completed the placebo‐controlled phase. After 12 months of treatment, the CSF heparan sulfate concentration was 5.5% lower in the genistein group (adjusted for baseline values), but this was not statistically significant (P = .26), and CSF heparan sulfate increased in both groups during the open‐label extension phase. Reduction of urinary glycosaminoglycans was significantly greater in the genistein group (32.1% lower than placebo after 12 months, P = .0495). Other biochemical and clinical parameters showed no significant differences between groups. High dose genistein aglycone (160 mg/kg/day) was not associated with clinically meaningful reductions in CSF heparan sulfate and no evidence of clinical efficacy was detected. However, there was a statistically significant reduction in urine glycosaminoglycans. These data do not support the use of genistein aglycone therapy in mucopolysaccharidosis type III. High dose genistein aglycone does not lead to clinically meaningful reductions in biomarkers or improvement in neuropsychological outcomes in mucopolysaccharidosis type III.
    • High penetrance of myeloid neoplasia with diverse clinical and cytogenetic features in three siblings with a familial GATA2 deficiency.

      Ellingford, Jamie M; Telford, Nick; Urquhart, Jill; Will, Andrew M; Bonney, Denise; Adams, Ben; Dixon, Rachel; Kerr, Bronwyn; Black, Graeme Cm; Wynn, Robert F; et al. (2021-04-23)
      Pathogenic germ-line variants in GATA2 (GATA2-deficiency) can cause childhood myelodysplastic syndrome (MDS) and acute myeloid leukaemia (AML), and can be associated with distinct clinical syndromic features. However, penetrance and genotype-phenotype correlations are incompletely understood. Here we report on the clinically diverse features of three siblings affected by GATA2c.1021_1031del over an 18-year period, all initially presenting in childhood and adolescence with MDS and AML with monosomy 7 (-7), and one also with trisomy 8 (+8). The siblings inherited a GATA2c.1021_1031del from their father who remains asymptomatic in his sixth decade. The two younger sisters are well after unrelated haematopoietic stem cell transplantation (HSCT), while the first boy died of severe chronic lung disease after sibling HSCT from his youngest sister, who subsequently also developed GATA2-deficiency associated MDS. This family illustrates high penetrance with variable genotype/phenotype correlation within one generation with GATA2-deficiency. We surmise that the lung disease post sibling HSCT was also caused by the GATA2-deficiency. The experience with this family underlines the necessity for GATA2 analysis in all apparently sporadic childhood and teenage MDS and AML with -7 also in the absence of a family history or other clinical features, and rigorous genetic testing in siblings. Moreover, our findings support the arguments for pre-emptive HSCT in variant-carrying siblings. [Abstract copyright: Copyright © 2021 Elsevier Inc. All rights reserved.]
    • High strength and strain alginate fibers by a novel wheel spinning technique for knitting stretchable and biocompatible wound-care materials.

      Chen, Zhongda; Song, Jun; Xia, Yumin; Jiang, Yuwei; Murillo, Luis Larrea; Tsigkou, Olga; Wang, Tao; Li, Yi; email: henry.yili@manchester.ac.uk (2021-05-25)
      Alginate fibrous materials have been applied as wound dressing to enhance wound healing due to its nontoxic, biodegradable, and hemostatic nature. Conventional nonwoven fabrication tactics, however, showed weakness in inflammation, degradation stability and mechanical properties. Herein, the wet-spun alginate fibers were prepared by a novel wheel spinning technique, then knitted into wound dressing. Benefiting from optimized wet spinning parameters and the agglomeration of alginate multimers, the fibers were endowed with elevated mechanical performances and biodegradability, which allowed for the feasibility of knitting wound-care materials. Using the new wheel spinning technique, high strength alginate fibers with 173 MPa were produced with breaking strain up to 18% and toughness of 16.16 MJ*m . Meanwhile, alginate fibers with high breaking strain reaching 35% were produced with tensile strength of 135 MPa and toughness of 37.47 MJ*m . The overall mechanical performances of these alginate fibers with high breaking strain are significantly higher (up to 2 times) than those published in the literature in term of toughness. In vitro degradation evaluation revealed that this wet spun fibrous dressing had good aqueous absorbency (50%) and sustained biodegradation properties. Furthermore, the consequent cell viability study also proved that this alginate knitted fabric is biocompatible for being applied as wound dressing. [Abstract copyright: Copyright © 2021 The Author(s). Published by Elsevier B.V. All rights reserved.]
    • High temperature magnetic characterisation of structural steels using Epstein frame

      Wilson, John W; orcid: 0000-0003-2139-1250; email: john.wilson@manchester.ac.uk; Zhou, Lei; Davis, Claire L; Peyton, Anthony J (IOP Publishing, 2021-08-23)
      Abstract: Electromagnetic non-destructive testing techniques provide an attractive solution to the problem of monitoring microstructural changes in steels undergoing heat treatment as they are non-contact, have a short response time and are relatively inexpensive. However, to take full advantage of these techniques it is necessary to be able accurately measure the magnetisation characteristics of the materials of interest at temperatures up to the Curie point. This paper details the development of a novel high temperature Epstein frame for installation in a furnace with the design informed and results validated by finite element modelling. Hysteresis loop characteristics are successfully measured for a dual phase steel up to the Curie point for heating and cooling. Results show the developed system has the potential to provide valuable data to inform online electromagnetic monitoring systems.
    • High temperature magnetic characterisation of structural steels using Epstein frame

      Wilson, John W; orcid: 0000-0003-2139-1250; email: john.wilson@manchester.ac.uk; Zhou, Lei; Davis, Claire L; Peyton, Anthony J (IOP Publishing, 2021-08-23)
      Abstract: Electromagnetic non-destructive testing techniques provide an attractive solution to the problem of monitoring microstructural changes in steels undergoing heat treatment as they are non-contact, have a short response time and are relatively inexpensive. However, to take full advantage of these techniques it is necessary to be able accurately measure the magnetisation characteristics of the materials of interest at temperatures up to the Curie point. This paper details the development of a novel high temperature Epstein frame for installation in a furnace with the design informed and results validated by finite element modelling. Hysteresis loop characteristics are successfully measured for a dual phase steel up to the Curie point for heating and cooling. Results show the developed system has the potential to provide valuable data to inform online electromagnetic monitoring systems.
    • High temperature supercapacitors using water-in-salt electrolytes: stability above 100 °C.

      Le Fevre, Lewis W; Ejigu, Andinet; Todd, Rebecca; Forsyth, Andrew J; Dryfe, Robert A W; orcid: 0000-0002-9335-4451 (2021-05-04)
      The high temperature performance of water-in-salt electrolytes was investigated using a carbon-based electrode with commercial cell components. Supercapacitors using 21 m Li bis(trifluoromethylsulphonyl)imide (TFSI) and 21 m LiTFSI + 7 m Li trifluoromethanesulphonyl electrolytes are shown to operate at a voltage of 2 V at 100 °C and 120 °C, respectively, with gravimetric capacitances exceeding 100 F g-1.
    • High-throughput molecular simulations reveal the origin of ion free energy barriers in graphene oxide membranes.

      Williams, Christopher D, ; email: christopher.williams@manchester.ac.uk; Siperstein, Flor R,; Carbone, Paola, (2021-07-22)
      Graphene oxide (GO) membranes are highly touted as materials for contemporary separation challenges including desalination, yet understanding of the interplay between their structure and salt rejection is limited. K ion permeation through hydrated GO membranes was investigated by combining structurally realistic molecular models and high-throughput molecular dynamics simulations. We show that it is essential to consider the complex GO microstructure to quantitatively reproduce experimentally-derived free energy barriers to K permeation for membranes with various interlayer distances less than 1.3 nm. This finding confirms the non-uniformity of GO nanopores and the necessity of the high-throughput approach for this class of material. The large barriers arise due to significant dehydration of K inside the membrane, which can have as few as 3 coordinated water molecules, compared to 7 in bulk solution. Thus, even if the membranes have an average pore size larger than the ion's hydrated diameter, the significant presence of pores whose size is smaller than the hydrated diameter creates bottlenecks for the permeation process.
    • Higher BMI is linked to an increased risk of heart attacks in European adults: a Mendelian randomisation study

      Adams, Benjamin; Jacocks, Lauren; Guo, Hui; orcid: 0000-0003-0282-6933; email: hui.guo@manchester.ac.uk (BioMed Central, 2020-05-29)
      Abstract: Background: BMI has been implicated as a risk factor for heart disease as a whole in multiple studies. Heart attack is one of the common complications of this disease. The aim of this study is to explore if elevated level of BMI causes an increase in the risk of heart attacks. Methods: We used two Mendelian randomisation (MR) methods: inverse variance weighted estimation and robust adjusted profile score (RAPS) on the basis of summary data of adulthood BMI from Genetic Investigation of Anthropometric Traits consortium and heart attack data from the UK Biobank. BMI associated single nucleotide polymorphisms (SNPs) were used as instrumental variables. Results: Seventy-two independent SNPs were associated with BMI (P < 5 × 10− 8). Using these SNPs as instruments, BMI was found to be causally associated with heart attacks in inverse variance weighted MR analysis. The risk of heart attacks increased by 0.8% per 1-SD (or 4.5 kg/m2) increase in BMI (OR = 1.008 with 95% CI (1.003, 1.012), P = 0.001). RAPS provided concordant results (OR = 1.007 with 95% CI (1.002, 1.012), P = 0.004). Conclusions: This current study is the first to use MR to investigate causal relationship between BMI and heart attacks. Our findings suggest that high level of BMI may cause increased risk of heart attacks.
    • Higher Order Time Stepping Methods for Subdiffusion Problems Based on Weighted and Shifted Grünwald–Letnikov Formulae with Nonsmooth Data

      Wang, Yanyong; Yan, Yuyuan; Yan, Yubin; email: y.yan@chester.ac.uk; Pani, Amiya K. (Springer US, 2020-05-19)
      Abstract: Two higher order time stepping methods for solving subdiffusion problems are studied in this paper. The Caputo time fractional derivatives are approximated by using the weighted and shifted Grünwald–Letnikov formulae introduced in Tian et al. (Math Comput 84:2703–2727, 2015). After correcting a few starting steps, the proposed time stepping methods have the optimal convergence orders O(k2) and O(k3), respectively for any fixed time t for both smooth and nonsmooth data. The error estimates are proved by directly bounding the approximation errors of the kernel functions. Moreover, we also present briefly the applicabilities of our time stepping schemes to various other fractional evolution equations. Finally, some numerical examples are given to show that the numerical results are consistent with the proven theoretical results.