The potential of computed crystal energy landscapes to aid solid-form development

Solid-form screening to identify all solid forms of an active pharmaceutical ingredient (API) has become increasingly important in ensuring the quality by design of pharmaceutical products and their manufacturing processes. However; despite considerable enlargement of the range of techniques that have been shown capable of producing novel solid forms; it is possible that practically important forms might not be found in the short timescales currently allowed for solid-form screening. Here; we report on the state-of-the-art use of computed crystal energy landscapes to complement pharmaceutical solid-form screening. We illustrate how crystal energy landscapes can help establish molecular-level understanding of the crystallization behavior of APIs and enhance the ability of solid-form screening to facilitate pharmaceutical development

Can computed crystal energy landscapes help understand pharmaceutical solids?

Computational crystal structure prediction (CSP) methods can now be applied to the smaller pharmaceutical molecules currently in drug development. We review the recent uses of computed crystal energy landscapes for pharmaceuticals, concentrating on examples where they have been used in collaboration with industrial-style experimental solid form screening. There is a strong complementarity in aiding experiment to find and characterise practically important solid forms and understanding the nature of the solid form landscape

Shared reading of children's interactive picture books

We report on a study of children and parents shared reading of interactive printed books. We investigated the differences between books with interactive features and books with expressive typography in order to evaluate which features within a book encouraged interaction between the reading participants and the book. 11 parent and child groups took part in the study that involved three observed reading sessions. From our observations we offer suggestions for the development of books and eBooks to encourage shared reading practices

An exploration of ebook selection behavior in academic library collections

Academic libraries have offered ebooks for some time, however little is known about how readers interact with them while making relevance decisions. In this paper we seek to address that gap by analyzing ebook transaction logs for books in a university library

Atomic force microscopy studies on two-step nucleation and epitaxial growth

Continues advancement and rapid development of techniques operating at the nanoscale open new opportunities to revise and question commonly accepted nucleation and crystal growth theories. Atomic Force Microscopy (AFM) has been successfully involved in various aspects of active pharmaceutical ingredient (API) characterisation including crystal growth, stability of solid dispersions, surface morphology, phase changes and dissolution [1]. Recent studies conducted on proteins crystallisation at nanoscale show new evidence disproving generally accepted Classical Nuclea/on Theory (CNT)[2]. Currently, ‘dense liquid droplets’ seen in protein crystallisation and ‘pre-nucleation clusters’ [3] seen mostly in inorganic salt crystallisation, are two main concepts of non-classical nucleation theory, although no significant progress has been made towards better understanding of mechanisms controlling heterogeneous nucleation in small organic molecules systems, what is in particular interest, as an epitaxial ordering phenomenon is frequently used to enhance nucleation rates and control properties of materials. Our studies present a new light on heteronucleation and the epitaxial growth mechanisms based epitaxial growth of olanzapine dihydrate D on the surface of olanzapine form I (OZPN I) both in high humidity conditions and water solu*on. Results obtained from Peak Force Quan/ta/ve Nanomechanical Mapping Atomic Force Microscopy (PF- QNM-AFM) [4] indicate the presence of intermediate dense liquid-like phase in process of dihydrate D nucleation

Medicines in schools: a cross-sectional survey of children, parents, teachers and health professionals

To describe how individual schools manage medicines and strategies for implementation of guidance, to determine the nature of problems perceived by children, parents, teachers and healthcare professionals (HCPs) in relation to medicines management in schools and to highlight differences between these perceptions. A cross-sectional survey study in which questionnaires were completed by children, their parents and carers, groups of HCPs and head teachers. There were 158 respondents to this survey. The management of medicines varies between schools and this reflects how policy guidance is interpreted and is revealed by the differences in experience described. Head teachers acknowledge that there is a lack of expertise about medicines among their staff and they rely on interpretation of and adherence to policy and procedure and compliance with training was used as a measure of good medicines management. There are inconsistencies in how information about medicines is communicated between the healthcare team, families and schools, and there is evidence that this communication is not always timely or effective. This results in problems with medicines at school. Parents emphasised the need for staff at school to understand their child's condition and their medicines. There are differences between how individual schools manage medicines and interpret policy guidance and discrepancies between the views of each stakeholder group. There is some evidence that medicines management does not always meet the needs of children and their families. Fewer than half of parents and HCPs are satisfied with how medicines are dealt with in schools

Survival Analysis: An Exact Method for Rare Events

Conventional asymptotic methods for survival analysis work well when sample sizes are at least moderately sufficient. When dealing with small sample sizes or rare events, the results from these methods have the potential to be inaccurate or misleading. To handle such data, an exact method is proposed and compared against two other methods: 1) the Cox proportional hazards model and 2) stratified logistic regression for discrete survival analysis data

The economic potential of switchgrass as a viable biofuel alternative

To be commercially viable as a bioenergy feedstock, switchgrass must be cost-competitive. Switchgrass production and delivery costs are calculated for the Chariton Valley Switchgrass Biomass Project located in the Chariton Valley, Iowa. Sensitivity analyses are performed to determine which variables have the greatest impact on cost. Switchgrass production costs would require higher than expected market prices, and therefore various incentive payment options are considered. The incentive payments attempt to encapsulate the positive environmental attributes from the production of switchgrass as well as using switchgrass as a clean energy coal substitute. A modified CRP payment, carbon payment, and green tag payment are all considered, and their relative advantages and disadvantages are discussed. The modified CRP payment and the green tag payment are shown to have significant potential for offsetting high switchgrass costs of production

The Influence of Secondary Principals\u27 Perceived Trust of Assistant Principals and Central Office Supervisors on Principal Self-Efficacy for Instructional Leadership

Although self-efficacy has been studied widely in education, variables associated with the self-efficacy of principals have received relatively limited attention. The current study investigated the relationship between secondary principals’ perceptions of trust in their assistant principal and central office supervisor and their own self-efficacy for instructional leadership. Surveys were collected from 80 secondary principals. Open-ended questions were utilized to gain greater understanding of the behaviors contributing to principals’ perceptions of trust and feelings of self-efficacy. Data were analyzed using correlation and multiple regression. Quantitative results revealed that no statistically significant relationship is present between trust perceptions in the relationships investigated and principals’ self-efficacy for instructional leadership. Analysis of the open-ended responses indicates that behaviors categorized as offer support, dependability, communication, and competence were the most frequently cited by principals as contributing to trust. In reference to behaviors that serve as a source of self-efficacy, principals referenced those categorized as supports my decision making, engage in support behaviors, and verbal persuasion most frequently. Responses including related to instructional leadership were noticeably absent from the open-ended responses. Recognizing the value of trusting relationships and instructional leadership established in existing research, the discussion of this study outlines the necessity to balance efforts for both. Principal perceptions of trust may be a necessary but insufficient condition for principals to experience self-efficacy for instructional leadership. Practical instructional leadership skills are also required. Recommendations are made that principal preparation programs, district leaders, and assistant principals take intentional action to support the development of instructional leadership skills to build principal self-efficacy for instructional leadership