Clustering files of chemical structures using the Szekely-Rizzo generalization of Ward's method

Ward's method is extensively used for clustering chemical structures represented by 2D fingerprints. This paper compares Ward clusterings of 14 datasets (containing between 278 and 4332 molecules) with those obtained using the Szekely–Rizzo clustering method, a generalization of Ward's method. The clusters resulting from these two methods were evaluated by the extent to which the various classifications were able to group active molecules together, using a novel criterion of clustering effectiveness. Analysis of a total of 1400 classifications (Ward and Székely–Rizzo clustering methods, 14 different datasets, 5 different fingerprints and 10 different distance coefficients) demonstrated the general superiority of the Székely–Rizzo method. The distance coefficient first described by Soergel performed extremely well in these experiments, and this was also the case when it was used in simulated virtual screening experiments

Size matters: the value of small populations for wintering waterbirds

Protecting systematically selected areas of land is a major step towards biodiversity conservation worldwide. Indeed, the identification and designation of protected areas more often than not forms a core component of both national and international conservation policies. In this paper we provide an overview of those Special Protection Areas and Ramsar Sites that have been classified in Great Britain as of 1998/99 for a selection of wintering waterbird species, using bird count data from the Wetland Bird Survey. The performance of this network of sites is remarkable, particularly in comparison with published analyses of networks elsewhere in the world. Nevertheless, the current site-based approach, whilst having the great benefit of simplicity, is deliberately biased towards aggregating species at the expense of the more dispersed distribution species. To ensure that the network continues successfully to protect nationally and internationally important waterbird populations, efforts now need to concentrate on the derivation of species-specific representation targets and, in particular, the ways in which these can be incorporated into the site selection process. Although these analyses concern the performance of protected areas for waterbirds in Great Britain, the results have wide-ranging importance for conservation planning in general and the design of protected area networks

The contribution of Chinese exports to climate change

Within 5 years, China's CO2 emissions have nearly doubled, and China may already be the world's largest emitter of CO2. Evidence suggests that exports could be a main cause for the rise in Chinese CO2 emissions; however, no systematic study has analyzed this issue, especially over time. We find that in 2005, around one-third of Chinese emissions (1700 Mt CO2) were due to production of exports, and this proportion has risen from 12% (230 Mt) in 1987 and only 21% (760 Mt) as recently as 2002. It is likely that consumption in the developed world is driving this trend. A majority of these emissions have largely escaped the scrutiny of arguments over “carbon leakage” due to the current, narrow definition of leakage. Climate policies which would make the developed world responsible for China's export emissions have both benefits and costs, and must be carefully designed to achieve political consensus and equity. Whoever is responsible for these emissions, China's rapidly expanding infrastructure and inefficient coal-powered electricity system need urgent attention

The drivers of Chinese CO2 emissions from 1980 to 2030

China's energy consumption doubled within the first 25 years of economic reforms initiated at the end of the 1970s, and doubled again in the past 5 years. It has resulted of a threefold CO2 emissions increase since early of 1980s. China's heavy reliance on coal will make it the largest emitter of CO2 in the world. By combining structural decomposition and input–output analysis we seek to assess the driving forces of China's CO2 emissions from 1980 to 2030. In our reference scenario, production-related CO2 emissions will increase another three times by 2030. Household consumption, capital investment and growth in exports will largely drive the increase in CO2 emissions. Efficiency gains will be partially offset the projected increases in consumption, but our scenarios show that this will not be sufficient if China's consumption patterns converge to current US levels. Relying on efficiency improvements alone will not stabilize China's future emissions. Our scenarios show that even extremely optimistic assumptions of widespread installation of carbon dioxide capture and storage will only slow the increase in CO2 emissions

Rate effects on layering of a confined linear alkane

We perform drainage experiments of a linear alkane fluid (n-hexadecane) down to molecular thicknesses, and focus on the role played by the confinement rate. We show that molecular layering is strongly influenced by the velocity at which the confining walls are approached: under high enough shear rates, the confined medium behaves as a structureless liquid of enhanced viscosity for film thickness below $\sim$10 nm. Our results also lead us to conclude that a rapidly confined film can be quenched in a metastable disordered state, which might be related with recent intriguing results on the shear properties of confined films produced at different rates [Zhu and Granick, Phys. Rev. Lett. {\bf 93}, 096101 (2004)]

Dynamic Student Development Metatheodel: Application to Fraternity and Sorority Life

https://scholarworks.wm.edu/educationbookchapters/1005/thumbnail.jp

Making the Grade: Fraternity and Sorority Standards Programs

Fraternity and Sorority Community (FSC) standards programs have been a practice of campus administrators seeking to change fraternity (and sorority) culture for over three decades (Mamarchev, Sina, & Heida, 2003; Norman, 2003; Sasso, 2012; Schoper, 2009). These programs have been so much of a part of efforts by administrators, notably those responsible for fraternity/sorority advising programs (FSAP), that guiding documents such as the Council for the Advancement of Standards (CAS) FSAP Standards included content relative to the implementation of these types of programs as recommended practice for FSAP operations (CAS, 2015; Mamarchev, Sina, & Heida, 2003). However, the extent to which these efforts have influenced culture change, engaged stakeholders in a shared objective, and facilitated student and organizational learning and development is often called into question (Reikofski, 2008; Sands & Cucci, 2013), and with good reason: a number of these programs were developed without stakeholder input (Mamarchev et al., 2003; Sasso, 2012) and have had mixed results, sometimes resulting in abandonment based on a lack of institutional and chapter effort toward making implementation a success (Norman, 2003; Reikofski, 2008)...https://scholarworks.wm.edu/educationbookchapters/1048/thumbnail.jp

Coming into Focus: Positioning Student Learning from The Student Personnel Point of View to Today

Excerpt from Coming into Focus: Positioning Student Learning from The Student Personnel Point of View to Today by James P. Barber (2012) Although 75 years have passed, it is evident that recent student affairs documents carry the same DNA as The Student Personnel Point of View. For example, The Student Learning Imperative, Principles of Good Practice for Student Affairs, and Learning Reconsidered each advocate a holistic approach to student experience and express the relevance of the student affairs educator. However, the context of higher education today is vastly different from the landscape of 1937... For the last century, the student affairs profession has been responsive to environmental changes. One way in which the profession has evolved is through strengthening its alignment with the goal of learning. Today promoting student learning is central to, not simply a byproduct of, good student affairs practice.https://scholarworks.wm.edu/educationbookchapters/1008/thumbnail.jp