Surface science studies of the coverage dependent adsorption of methyl acetate and methyl propanoate on graphite.

Complex organic molecules (COMs) have been detected in a wide range of astrophysical environments, including the interstellar medium, comets and proto-planetary disks. The icy mantles that form on dust grains in these environments are thought to be the chemical nurseries that allow the formation of many of the COMs that have been identified. As such, the adsorption, thermal processing and desorption of COMs from dust grain surfaces are important in understanding the astrochemical networks as a whole.

Proton-coupled electron transfer dynamics in the alternative oxidase.

The alternative oxidase (AOX) is a membrane-bound di-iron enzyme that catalyzes O-driven quinol oxidation in the respiratory chains of plants, fungi, and several pathogenic protists of biomedical and industrial interest. Yet, despite significant biochemical and structural efforts over the last decades, the catalytic principles of AOX remain poorly understood. We develop here multi-scale quantum and classical molecular simulations in combination with biochemical experiments to address the proton-coupled electron transfer (PCET) reactions responsible for catalysis in AOX from , the causative agent of sleeping sickness.

Introduction to 'Medicinal Chemistry Small Molecule Probes'.

Gemma Nixon, Khondaker Miraz Rahman and John Spencer introduce the themed collection on 'Medicinal Chemistry Small Molecule Probes'.

Grand challenges in entomology: Priorities for action in the coming decades.

Entomology is key to understanding terrestrial and freshwater ecosystems at a time of unprecedented anthropogenic environmental change and offers substantial untapped potential to benefit humanity in a variety of ways, from improving agricultural practices to managing vector-borne diseases and inspiring technological advances.We identified high priority challenges for entomology using an inclusive, open, and democratic four-stage prioritisation approach, conducted among the membership and affiliates (hereafter 'members') of the UK-based Royal Entomological Society (RES).A list of 710 challenges was gathered from 189 RES members.

Design and synthesis of quinazolin-4-one derivatives as potential anticancer agents and investigation of their interaction with RecQ helicases.

The upregulation of RecQ helicases has been associated with cancer cell survival and resistance to chemotherapy, making them appealing targets for therapeutic intervention. In this study, twenty-nine novel quinazolinone derivatives were designed and synthesized. The anti-proliferative activity of all compounds was evaluated against 60 cancer cell lines at the National Cancer Institute Developmental Therapeutic Program, with six compounds (11f, 11g, 11k, 11n, 11p, and 11q) being promoted to a five-dose screen.

Chirality: a key parameter in chemical probes.

Many small molecule bioactive and marketed drugs are chiral. They are often synthesised from commercially available chiral building blocks. However, chirality is sometimes incorrectly assigned by manufacturers with consequences for the end user ranging from: experimental irreproducibility, wasted time on synthesising the wrong product and reanalysis, to the added cost of purchasing the precursor and resynthesis of the correct stereoisomer.

The role of honour in interpersonal, intrapersonal and intergroup processes.

In this article, we review research in psychology and other related social science fields that has adopted an honor framework to examine intrapersonal, interpersonal, and intergroup processes taking a culture-comparative or individual differences approach. In the sections below, we will first review research on the role of honor in interpersonal processes focusing primarily on interpersonal aggression including in close relationships, non-aggressive ways of responding to threats (e.g.

Dominance of Cyclobutadienyl Over Cyclopentadienyl in the Crystal Field Splitting in Dysprosium Single-Molecule Magnets.

Replacing a monoanionic cyclopentadienyl (Cp) ligand in dysprosium single-molecule magnets (SMMs) with a dianionic cyclobutadienyl (Cb) ligand in the sandwich complexes [(η -Cb'''')Dy(η -C Me Bu)(BH )] (1), [(η -Cb'''')Dy(η -Pn )K(THF)] (2) and [(η -Cb'''')Dy(η -Pn )] (3) leads to larger energy barriers to magnetization reversal (Cb''''=C (SiMe ) , Pn =1,4-di(tri-isopropylsilyl)pentalenyl). Short distances to the Cb'''' ligands and longer distances to the Cp ligands in 1-3 are consistent with the crystal field splitting being dominated by the former. Theoretical analysis shows that the magnetic axes in the ground Kramers doublets of 1-3 are oriented towards the Cb'''' ligands.

Live bird market in Bangladesh: Regulatory systems and operations.

Objective: In developing countries, such as Bangladesh, the live bird market (LBM) is a vital location for the trading of live poultry. The study was carried out in nine LBMs located around Bangladesh to ascertain the present regulations and procedures governing their operation. Additionally, the responsibilities and levels of engagement of the stakeholders were determined.

Sex differences in morphology across an expanding range edge in the flightless ground beetle, .

Species' ranges are dynamic, changing through range shifts, contractions, and expansions. Individuals at the edge of a species' shifting range often possess morphological traits that increase movement capacity, that are not observed in individuals farther back within the species' range. Although morphological traits that increase in proportion toward the range edge may differ between the sexes, such sex differences are rarely studied.

Can effective population size estimates be used to monitor population trends of woodland bats? A case study of .

Molecular approaches to calculate effective population size estimates (Ne) are increasingly used as an alternative to long-term demographic monitoring of wildlife populations. However, the complex ecology of most long-lived species and the consequent uncertainties in model assumptions means that effective population size estimates are often imprecise. Although methods exist to incorporate age structure into Ne estimations for long-lived species with overlapping generations, they are rarely used owing to the lack of relevant information for most wild populations.

Flexible Temperature Sensor Integration into E-Textiles Using Different Industrial Yarn Fabrication Processes.

Textiles enhanced with thin-film flexible sensors are well-suited for unobtrusive monitoring of skin parameters due to the sensors' high conformability. These sensors can be damaged if they are attached to the surface of the textile, also affecting the textiles' aesthetics and feel. We investigate the effect of embedding flexible temperature sensors within textile yarns, which adds a layer of protection to the sensor.

Combining Sanford Arylations on Benzodiazepines with the Nuisance Effect.

5-Phenyl-1,3-dihydro--1,4-benzodiazepin-2-ones react under palladium- and visible light photoredox catalysis, in refluxing methanol, with aryldiazonium salts to afford the respective 5-(2-arylphenyl) analogues. With 2- or 4-fluorobenzenediazonium derivatives, both fluoroaryl- and methoxyaryl- products were obtained, the latter resulting from a SAr on the fluorobenzenediazonium salt ("nuisance effect"). A computational DFT analysis of the palladium-catalysed and the palladium/ruthenium-photocalysed mechanism for the functionalization of benzodiazepines indicated that, in the presence of the photocatalyst, the reaction proceeds via a low-energy SET pathway avoiding the high-energy oxidative addition step in the palladium-only catalysed reaction pathway.

Introgression of exotic ( and ) into red deer () populations in Scotland and the English Lake District.

Since the mid-19th century, multiple introductions of Japanese sika deer () and North American wapiti () have taken place in the British Isles. While wapiti have generally been unsuccessful, sika have been very successful, especially in Scotland where they now overlap at least 40% of the range of native red deer (). Hybridization between these two species and red deer has been demonstrated in captivity and in the wild.

Xeroderma pigmentosum is a definite cause of Huntington's disease-like syndrome.

Xeroderma pigmentosum is characterized by cutaneous, ophthalmological, and neurological features. Although it is typical of childhood, late presentations can mimic different neurodegenerative conditions. We report two families presenting as Huntington's disease-like syndromes.

Conservative whole-organ scaling contrasts with highly labile suborgan scaling differences among compound eyes of closely related ants.

Static allometries determine how organ size scales in relation to body mass. The extent to which these allometric relationships are free to evolve, and how they differ among closely related species, has been debated extensively and remains unclear; changes in intercept appear common, but changes in slope are far rarer. Here, we compare the scaling relationships that govern the structure of compound eyes of four closely related ant species from the genus .

Single Nucleotide Polymorphism Associated with Altered Brain Responses (but not Performance) during Measures of Impulsivity and Reward Sensitivity in Human Adolescents.

Variations in genes encoding several GABA receptors have been associated with human drug and alcohol abuse. Among these, a number of human studies have suggested an association between , the gene encoding GABA receptor β1 subunits, with Alcohol dependence (AD), both on its own and comorbid with other substance dependence and psychiatric illnesses. In the present study, we hypothesized that the genetically-associated increased risk for developing alcoholism may be associated with impaired behavioral control and altered sensitivity to reward, as a consequence of altered brain function.

Curling Up With a Good E-Book: Mother-Child Shared Story Reading on Screen or Paper Affects Embodied Interaction and Warmth.

This study compared changes in cognitive, affective, and postural aspects of interaction during shared mother and child book reading on screen and on paper. Readers commonly express strong preferences for reading on paper, but several studies have shown marginal, if any, effects of text medium on cognitive outcomes such as recall. Shared reading with a parent is an engaging, affective and embodied experience across time, as well as a cognitive task, so it is important to understand how paper vs.

Niche partitioning in a sympatric cryptic species complex.

Competition theory states that multiple species should not be able to occupy the same niche indefinitely. Morphologically, similar species are expected to be ecologically alike and exhibit little niche differentiation, which makes it difficult to explain the co-occurrence of cryptic species. Here, we investigated interspecific niche differentiation within a complex of cryptic bumblebee species that co-occur extensively in the United Kingdom.

Evaluation of Severe Combined Immunodeficiency and Combined Immunodeficiency Pediatric Patients on the Basis of Cellular Radiosensitivity.

Pediatric patients with severe or nonsevere combined immunodeficiency have increased susceptibility to severe, life-threatening infections and, without hematopoietic stem cell transplantation, may fail to thrive. A subset of these patients have the radiosensitive (RS) phenotype, which may necessitate conditioning before hematopoietic stem cell transplantation, and this conditioning includes radiomimetic drugs, which may significantly affect treatment response. To provide statistical criteria for classifying cellular response to ionizing radiation as the measure of functional RS screening, we analyzed the repair capacity and survival of ex vivo irradiated primary skin fibroblasts from five dysmorphic and/or developmentally delayed pediatric patients with severe combined immunodeficiency and combined immunodeficiency.

Resting state MEG oscillations show long-range temporal correlations of phase synchrony that break down during finger movement.

The capacity of the human brain to interpret and respond to multiple temporal scales in its surroundings suggests that its internal interactions must also be able to operate over a broad temporal range. In this paper, we utilize a recently introduced method for characterizing the rate of change of the phase difference between MEG signals and use it to study the temporal structure of the phase interactions between MEG recordings from the left and right motor cortices during rest and during a finger-tapping task. We use the Hilbert transform to estimate moment-to-moment fluctuations of the phase difference between signals.

Developing and enhancing biodiversity monitoring programmes: a collaborative assessment of priorities.

Biodiversity is changing at unprecedented rates, and it is increasingly important that these changes are quantified through monitoring programmes. Previous recommendations for developing or enhancing these programmes focus either on the end goals, that is the intended use of the data, or on how these goals are achieved, for example through volunteer involvement in citizen science, but not both. These recommendations are rarely prioritized.

Neurovisceral phenotypes in the expression of psychiatric symptoms.

This review explores the proposal that vulnerability to psychological symptoms, particularly anxiety, originates in constitutional differences in the control of bodily state, exemplified by a set of conditions that include Joint Hypermobility, Postural Tachycardia Syndrome and Vasovagal Syncope. Research is revealing how brain-body mechanisms underlie individual differences in psychophysiological reactivity that can be important for predicting, stratifying and treating individuals with anxiety disorders and related conditions. One common constitutional difference is Joint Hypermobility, in which there is an increased range of joint movement as a result of a variant of collagen.