Canine separation-related behaviour at six months of age: Dog, owner and early-life risk factors identified using the 'Generation Pup' longitudinal study.

Separation-related behaviours (SRBs) in dogs () often indicate poor welfare. Understanding SRB risk factors can aid prevention strategies. We investigated whether early-life experiences and dog-owner interactions affect SRB development.

Correspondence between the reaction force minimum and the onset of abrupt variations of the kinetic and potential energies in bond dissociation and formation.

Context: We demonstrate that the minimum of the reaction force curve of a diatomic or polyatomic molecule undergoing bond dissociation is significant in several respects. As has been pointed out in the past, it is the point at which the force opposing dissociation is strongest. It marks the boundary between the primarily structural stage of a bond dissociation (stretching) and the transition region between the stretched bond and independent atoms.

Puppy Socialisation Experiences in Relation to Age and COVID-19 Lockdown Restrictions in the UK and ROI.

Limited socialisation can contribute to the development of undesirable dog behaviours. The COVID-19 lockdown potentially limited socialisation opportunities, which may negatively impact the future behaviour of puppies raised during lockdown. Data were gathered from longitudinal study participants in the United Kingdom/Republic of Ireland via multiple questionnaires between May 2016 and November 2022.

Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy.

In this paper we revisit earlier work relating to monoatomic atoms and ions published by pioneers in the area of electrostatic potentials. We include plots of the radial distributions of the electrostatic potentials for spherically symmetric atoms and cations, and for singly, doubly and triply negative anions. For atoms with anisotropy in their densities and electrostatic potentials, such as the halonium cations, it is shown how the molecular surface approach for plotting electrostatic potentials complements that achieved by directional radial distributions.

Anisotropies in electronic densities and electrostatic potentials of Halonium Ions: focus on Chlorine, Bromine and Iodine.

Context: Why are the halonium cations so effective in forming strongly-bound complexes? We directed our research to address this question and we present electrostatic potential data for the valence-state halogen atoms X and halonium cations X, where X = Cl, Br, I. The electron densities and electrostatic potentials of the halonium cations show considerably greater anisotropy than do the valence state halogens. The distances from the electrostatic potential surface maxima to the halogen nuclei are about 0.

Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions.

We focus on intramolecular interactions, using the electrostatic potential plotted on iso-density surfaces to lead the way. We show that plotting the electrostatic potential on varying iso-density envelopes much closer to the nuclei than the commonly used 0.001 a.

The Formation of σ-Hole Bonds: A Physical Interpretation.

This paper discusses two quite different computational experiments relating to the formation of σ-hole bonds A···B. The first involves looking at the complex at equilibrium and finding the contour X of the electronic density which allows the iso-density envelopes of A and B to be nearly touching. This contour increases, becoming closer to the nuclei, as the strength of the interaction increases.

GenPup-M: A novel validated owner-reported clinical metrology instrument for detecting early mobility changes in dogs.

Objective: To use a previously validated veterinary clinical examination sheet, Liverpool Osteoarthritis in Dogs (LOAD) questionnaire, combined with kinetic and kinematic gait analysis in dogs with/without mobility problems to demonstrate the capacity of a novel clinical metrology instrument ("GenPup-M") to detect canine mobility impairments.

Design: Quantitative study.

Animals: 62 dogs (31 with mobility impairments and 31 without mobility impairments).

"It's Like Living with a Sassy Teenager!": A Mixed-Methods Analysis of Owners' Comments about Dogs between the Ages of 12 Weeks and 2 Years.

Owners' understanding of dog behaviour influences dog welfare. This study aimed to investigate owners' experiences of living with dogs and perceptions of dog behaviour/behaviour change. Data from an ongoing UK/ROI longitudinal study of dogs were used.

Intramolecular Repulsion Visible Through the Electrostatic Potential in Disulfides: Analysis via Varying Iso-density Envelopes.

For a series of diethyl disulfide conformations, the nearly touching contours of the electrostatic potential plotted on iso-density molecular surfaces allow the assessment of intramolecular repulsion. The electrostatic potential is plotted on varying iso-density envelopes to find the nearly touching contours for which (a) the surface electrostatic potential does not show overlap between atoms or functional groups and (b) the typical features are visible (σ-hole, lone pair, hydrogen ). When these nearly touching contours are closer to the nuclei, the more electron density is excluded from the iso-density envelopes and the smaller are the volumes corresponding to these envelopes.

The Effects of a Non-crossed-linked Hyaluronic Acid Gel on the Aging Signs of the Face versus Normal Saline: A Randomized, Double-blind, Placebo-controlled, Split-faced Study.

Background: Skin bio-revitalization improves skin quality globally; it permits the rejuvenation of the skin by increasing hydration and by reconstructing an optimal physiological environment for the skin cells together with a micro-filling effect.

Objective: To assess the comparative efficacy of a non-cross-linked hyaluronic acid (NCHA) preparation (M-HA®10, FILLMED Laboratories, France) on fine lines reduction and on skin hydration, radiance and mechanical properties, after three sessions of multiple intradermal injections, active versus placebo, on the face of subjects presenting aging signs.

Methods: Thirty healthy subjects received filler injections on one side and a control solution (saline) on the contralateral side of the face.

Dichloromethane replacement: towards greener chromatography Kirkwood-Buff integrals.

Dichloromethane (DCM) is a useful and advantageous solvent used in pharmaceutical development due to its low cost, miscibility with other organic solvents, high volatility, and ability to solubilize drug molecules of variable polarities and functionalities. Despite this favourable behaviour, efforts to identify safer and more sustainable alternatives to hazardous, halogenated solvents is imperative to the expansion of green chemistry. In this work, bio-derived esters -butyl acetate, -butyl acetate, ethyl isobutyrate, and methyl pivalate are experimentally identified as safe and sustainable alternatives to directly replace DCM within thin-layer chromatography (TLC) in the analysis of small, common drug molecules.

Introducing a Puppy to Existing Household Cat(s): Mixed Method Analysis.

Although cats and dogs can live amicably, inter-species conflict can result in poor welfare. Species introduction can impact the development of the cat-dog relationship. This study aimed to identify factors associated with owner reported ‘only desirable’ puppy behaviour (defined as the puppy being uninterested, ignored the cat and/or interacted in a calm way) following introduction to existing household cats, and to explore perceptions of the emerging cat-dog relationship.

Interpreting the variations in the kinetic and potential energies in the formation of a covalent bond.

We address the long-standing controversy as to the physical origin of covalent bonding, whether it involves a lowering of the potential energy or a lowering of the kinetic energy. We conclude that both of these do occur and contribute to the formation of the bond. The analysis is in terms of the virial theorem and the variations in the potential energy and the kinetic energy as the atoms approach each other.

Accessing veterinary healthcare during the COVID-19 pandemic: A mixed-methods analysis of UK and Republic of Ireland dog owners' concerns and experiences.

Background: This study explored dog owners' concerns and experiences related to accessing veterinary healthcare during the COVID-19 pandemic.

Methods: Data were obtained through two cross-sectional owner-completed surveys conducted in May (first nationwide lockdown) and October 2020 and owner-completed diaries (April-November 2020). Diaries and relevant open-ended survey questions were analysed qualitatively to identify themes.

Impact of Changes in Time Left Alone on Separation-Related Behaviour in UK Pet Dogs.

Separation-related behaviours (SRBs), including but not limited to vocalisation, pacing, destruction and toileting, occur in the absence of human company. As well as being problematic for the dogs' owners, such behaviours indicate that the dogs' emotional state is compromised. As part of the COVID-19 pandemic, time spent alone decreased considerably for many pet dogs, leading to concerns about the development of SRBs when dogs are left alone more again.

Transdermal Buprenorphine for Pain Management Following a Neck of Femur Fracture.

Introduction: Pain management in patients with hip fractures can be challenging. Poor pain control is associated with reduced mobility and increased morbidity. Inadequate analgesia in patients with dementia is a concern.

Age of sexual maturity and factors associated with neutering dogs in the UK and the Republic of Ireland.

Background: Surgical neutering of dogs is common, however the average age that dogs reach sexual maturity, are neutered, and dog owners' attitudes to neutering in the UK and the Republic of Ireland have not been explored in a longitudinal study.

Methods: Owner-reported data on the timing of the first oestrus, timing of neutering and the reasons given for neutering dogs by 12 and 15 months of age were summarised. Factors associated with neutering at 15 months and factors associated with intention to neuter were quantified using multivariable logistic regression.

Are HOMO-LUMO gaps reliable indicators of explosive impact sensitivity?

A high priority in designing and evaluating proposed explosives is to minimize sensitivity, i.e., vulnerability to unintended detonation due to an accidental stimulus, such as impact.

The π-hole revisited.

It follows from the Schrödinger equation that the forces operating within molecules and molecular complexes are Coulombic, which necessarily entails both electrostatics and polarization. A common and important class of molecular complexes is due to π-holes. These are molecular regions of low electronic density that are perpendicular to planar portions of the molecular frameworks.

Cognitive and Composite Behavioural Welfare Assessments of Pet Cats between the Ages of 9-22 Months, Living in Single and Multi-Cat Households.

Although agonistic interactions between cats are often regarded clinically as a source of stress, there is currently limited research evidence regarding the welfare impact of keeping multiple cats as pets. The aim of this study was to compare welfare indicators between cats living in domestic single and multi-cat households, as well as between multi-cat households where agonistic behaviour was/was not reported by owners. Indicators included a spatial judgment bias task (JBT), where longer latencies to ambiguous probes are interpreted as being related to a more 'pessimistic' mood state, and the cat stress score (CSS), where high scores are indicative of high stress levels.

The Neglected Nuclei.

Since the nuclei in a molecule are treated as stationary, it is perhaps natural that interpretations of molecular properties and reactivity have focused primarily upon the electronic density distribution. The role of the nuclei has generally received little explicit consideration. Our objective has been to at least partially redress this imbalance in emphasis.

Owner-Reported Pica in Domestic Cats Enrolled onto a Birth Cohort Study.

The prevalence and cooccurrence of pica towards different target materials were investigated using prospective data from three questionnaires completed by owners participating in a longitudinal study of UK pet cats. Pica towards one or more material types was reported in 42.9% (229/534), 32.

Can Counter-Intuitive Halogen Bonding Be Coulombic?

We use the term "counter-intuitive" to describe an intermolecular interaction in which the electrostatic potentials of the interacting regions of the ground-state molecules have the same sign, both positive or both negative. In the present work, we consider counter-intuitive halogen bonding with nitrogen bases, in which both the halogen σ-hole and the nitrogen lone pair have negative potentials on their molecular surfaces. We show that these interactions can be treated as Coulombic despite the apparent repulsion between the ground-state molecules, provided that both electrostatics and polarization are explicitly taken into account.