Results from continuous-wave and pulse EPR measurements suggest the presence of the unpaired spin on P3HT in a multitude of environments, ranging from free P3HT radical cations with similar properties to those observed in BCF-doped P3HT, to pairs of dipolar and exchange-coupled spins on P3HT and the dopant anion. Characterisation of the proton hyperfine interactions by ENDOR allowed quantification of the extent of spin delocalisation and revealed reduced delocalisation in the F4TCNQ-doped P3HT films.Correction for 'Novel two-dimensional tetrahexagonal boron nitride with a sizable band gap and a sign-tunable Poisson's ratio' by Mehmet Emin Kilic et al., Nanoscale, 2021, 13, 9303-9314, DOI 10.1039/D1NR00734C.Hydration of aromatic molecules is a fundamental chemical process. Herein, microhydration framework of the prototypical neutral polycyclic aromatic hydrocarbon (PAH), naphthalene (naphthalene-(water)n≤3), is investigated by infrared spectroscopy inside helium nanodroplets. The measured data are analyzed by quantum chemical calculations at the MP2/6-311++G(d,p) level. This combined experimental and theoretical approach demonstrates that water binds to the naphthalene ring via π hydrogen bond (H-bond) for n = 1 case. Further addition of the solvent molecules occurs via the formation of a H-bonded water network facilitated by the nonadditive cooperative force. No isomers are observed in which the solvent molecules separately bind to the aromatic ring. For n = 3 case, we observe the formation of a cyclic H-bonded water moiety. Comparison with corresponding cationic and anionic naphthalene±-(water)n clusters demonstrates the charge-induced modification of the hydration motif. Our results are further compared with the prototypical benzene-(water)n complexes to comprehend the effect of an additional phenyl ring on the solvation network.We study the high pressure structural aspects of thorium dialuminide, ThAl2, by performing evolutionary crystal structure searches and first principles calculations. We predict a phase transition from the ambient AlB2-type hexagonal structure to a P63/mmc hexagonal structure above 2.4 GPa. https://www.selleckchem.com/products/tg003.html We also note that the new structure remains stable up to 50 GPa. This differs from the finding of an earlier study in which three phase transitions were reported close to 5.5, 12 and 25 GPa. An analysis of the electronic structures, Bader charge and electron localization function (ELF) indicates a complex chemical bonding comprising partial metallic, ionic (Th-Al) and covalent (Al-Al) characters in the ambient phase. Comparison of crystal parameters and ELFs for ambient and high pressure phases indicates that a change of Al-Al bonding under pressure is responsible for the structural phase transition. Furthermore, we computed the high P-T phase diagram by including the temperature effects via free energies for the most relevant structures, namely, AlB2-type, MgCu2-type and new hexagonal. We found that a MgCu2-type structure becomes stable only under high P-T conditions. We also provide a plausible explanation for the observed isostructural transition in the ambient AlB2-type structure at 5.5 GPa.Lexical phenomena, such as clusters of words, disseminate through social networks at different rates but most models of diffusion focus on the discrete adoption of new lexical phenomena (i.e. new topics or memes). It is possible much of lexical diffusion happens via the changing rates of existing word categories or concepts (those that are already being used, at least to some extent, regularly) rather than new ones. In this study we introduce a new metric, contrastive lexical diffusion (CLD) coefficient, which attempts to measure the degree to which ordinary language (here clusters of common words) catch on over friendship connections over time. For instance topics related to meeting and job are found to be sticky, while negative thinking and emotion, and global events, like 'school orientation' were found to be less sticky even though they change rates over time. We evaluate CLD coefficient over both quantitative and qualitative tests, studied over 6 years of language on Twitter. We find CLD predicts the spread of tweets and friendship connections, scores converge with human judgments of lexical diffusion (r=0.92), and CLD coefficients replicate across disjoint networks (r=0.85). Comparing CLD scores can help understand lexical diffusion positive emotion words appear more diffusive than negative emotions, first-person plurals (we) score higher than other pronouns, and numbers and time appear non-contagious.Embeddings of words and concepts capture syntactic and semantic regularities of language; however, they have seen limited use as tools to study characteristics of different corpora and how they relate to one another. We introduce TextEssence, an interactive system designed to enable comparative analysis of corpora using embeddings. TextEssence includes visual, neighbor-based, and similarity-based modes of embedding analysis in a lightweight, web-based interface. We further propose a new measure of embedding confidence based on nearest neighborhood overlap, to assist in identifying high-quality embeddings for corpus analysis. A case study on COVID-19 scientific literature illustrates the utility of the system. TextEssence can be found at https//textessence.github.io.While many academic conferences are transitioning to online events, this article aims to share several strategies used by the organizers of a well-established online-only conference. The Teaching, Colleges, and Community (TCC) Worldwide Online Conference recently celebrated its 25th anniversary. After a brief review of TCC's history, four strategies that organizers have identified as helping conference goers feel oriented, welcomed, connected and engaged are described. These strategies include offering a "pre-conference" orientation, including regional keynote speakers, creating opportunities for informal exchange, and encouraging participation with digital credentials. COVID-19 is a significant threat to people's mental health and social well-being. The research examined the effects of social determinants of health on COVID-19 related stress, family's stress and discord, and personal diagnosis of COVID-19. In November 2020, the data collection was conducted from 97 counties in North Carolina ( =1500). Adult residents in North Carolina completed an online COVID-19 impact survey conducted using quota-based sampling on race, income, and county to provide a rapid quasi-representative assessment of COVID impact. The study investigated the variables in a structural model through structural equation modeling. For data analysis, IBM SPSS 26 and AMOS 27 were deployed. Social determinants of health had direct effects on COVID-19 related stress ( =0.66, < 0.001, =0.43), family's stress and discord ( =0.73, < 0.001, =0.53), and personal diagnosis of COVID-19 ( =0.52, < 0.001, =0.27). These findings indicate that underserved populations experienced higher stress and discord at both individual and family levels and more severe COVID-19 symptoms.