CHARACTERIZATION OF CRYSTALLINE PIGMENTS WITH LOW-FREQUENCY VIBRATIONAL SPECTROSCOPY AND SOLID-STATE DENSITY FUNCTIONAL THEORY

Although historical pigments are seldom found in the modern artist’s palette, their characterization is a critical aspect of designing effective conservation and restoration protocols, establishing provenance, and detecting forgeries. Ideal characterization methods are nondestructive, noninvasive, and able to distinguish between pure and mixed pigment samples. Spectroscopic techniques are commonly used to identify pigment composition because of their non-ionizing nature, rapid acquisition times, and safety. Unfortunately, the majority of these methods have difficulty distinguishing between pigments with similar chemical and physical properties. Recent advancements in instrument technology have increased the broader availability of terahertz time-domain spectroscopy (THz-TDS) and low-frequency Raman spectroscopy (LFRS). In this work, the capabilities of THz-TDS and LFRS for identification and characterization of historic and modern pigments were evaluated. These experimental studies were supported with solid-state density functional theory (ss-DFT) simulations of the pigment structures and vibrations to gain insight into the molecular and intermolecular origins of the observed spectral features. These results demonstrate the powerful combination of low-frequency (≤ 200 cm-1) vibrational spectroscopic methods and computational techniques for the identification and characterization of pigments and establish the compelling abilities of THz-TDS and LFRS as new tools for characterization of pigment components in artworks and artifacts

More than Victims: Versions of Feminine Power in Bapsi Sidhwa’s Cracking India

On a surface level, the women in Bapsi Sidhwa’s Cracking India appear to be entirely victimized:  the female inhabitants of Ranna’s village are brutally beaten and raped, Ayah is forced into a life of prostitution, and Lenny and her mother are unable to intervene.  Accordingly, critics have focused on the oppression of women in Cracking India and other partition literature; Ananya Kabir points out how the violence of the partition "is primarily inscribed on the body of women...[who] bear the additional burden of gender."  While I acknowledge that the female characters in Sidhwa’s text are outwardly disempowered -- religious, economic, and social life could all be classified as male domains, with men serving as both the principal authorities and agents of change--I assert that these women are also, in many situations and senses, able to possess and exert power over their circumstances.  In this paper I explore how the unique feminine connections to the communal, the traditional, and the familial provide women with an exclusive power through which they are able to subvert patriarchal authority.  Rather than simply perceiving Sidhwa’s women as disempowered and victimized, I examine how the female characters in Cracking India demonstrate not only survivorship, but also agency, using their unique connections and abilities to bring healing.Â

Physiologically Based Pharmacokinetic Modelling: A Sub-Compartmentalized Model of Tissue Distribution

We present a sub-compartmentalized model of drug distribution in tissue that extends existing approaches based on the well-stirred tissue model. It is specified in terms of differential equations that explicitly account for the drug concentration in erythrocytes, plasma, interstitial and cellular space. Assuming, in addition, steady state drug distribution and by lumping the different sub-compartments, established models to predict tissue-plasma partition coefficients can be derived in an intriguingly simple way. This direct link is exploited to explicitly construct and parameterize the sub-compartmentalized model for moderate to strong bases, acids, neutrals and zwitterions. The derivation highlights the contributions of the different tissue constituents and provides a simple and transparent framework for the construction of novel tissue distribution models

Internationalization of Counselor Education: Lived Experiences of US Counselors-in-Training Abroad

In response to globalization in the counseling profession and the incorporation of international immersion courses in counselor education programs, the purpose of this study is to understand the lived experience of counselors-intraining participating internationally in a study abroad course. The research question was: What is the experience of a counselor-in-training who has participated in a study abroad trip as a part of their training program? Utilizing van Manen’s phenomenological methodology (1990), the researcher explored the experiences of four counselors-in-training participating in an international study abroad course. Overall emergent themes included experiencing new contexts, emotions, and new learning with an emphasis on “experiencing.” These themes highlighted implications for counselor educators in international curriculum development and course planning as well as informing counselorsin-training on potential impacts of international immersion courses

Software Supported Modelling in Pharmacokinetics

A powerful new software concept to physiologically based pharmacokinetic (PBPK) modelling of drug disposition is presented. It links the inherent modular understanding in pharmacology with orthogonal design principles from software engineering. This concept allows for flexible and user-friendly design of pharmacokinetic whole body models, data analysis, hypotheses testing or extrapolation. The typical structure of physiologically-based pharmacokinetic models is introduced. The resulting requirements from a modelling and software engineering point of view and its realizations in the software tool MEDICI-PK [9] are described. Finally, an example in the context of drug-drug interaction studies is given that demonstrates the advantage of defining a whole-body pharmacokinetic model in terms of the underlying physiological processes quite impressively: A system of 162 ODEs is automatically compiled based on the specification of 7 local physiological processes only

Rapid incidence estimation from SARS-CoV-2 genomes reveals decreased case detection in Europe during summer 2020

By October 2021, 230 million SARS-CoV-2 diagnoses have been reported. Yet, a considerable proportion of cases remains undetected. Here, we propose GInPipe, a method that rapidly reconstructs SARS-CoV-2 incidence profiles solely from publicly available, time-stamped viral genomes. We validate GInPipe against simulated outbreaks and elaborate phylodynamic analyses. Using available sequence data, we reconstruct incidence histories for Denmark, Scotland, Switzerland, and Victoria (Australia) and demonstrate, how to use the method to investigate the effects of changing testing policies on case ascertainment. Specifically, we find that under-reporting was highest during summer 2020 in Europe, coinciding with more liberal testing policies at times of low testing capacities. Due to the increased use of real-time sequencing, it is envisaged that GInPipe can complement established surveillance tools to monitor the SARS-CoV-2 pandemic. In post-pandemic times, when diagnostic efforts are decreasing, GInPipe may facilitate the detection of hidden infection dynamics.Results - Method validation: in silico experiment. - Method validation: phylodynamics. - Reconstructed incidence histories. - Relative case detection rate. Discussion Method