Monitoring Crystal Structure Refinements Using Solid-State NMR Chemical Shift Tensors

Inclusion of lattice-fields in density functional theory (DFT) methods has enabled the accurate calculation of solid-state nuclear magnetic resonance (SSNMR) chemical shift tensors. Calculated 13C and 15N tensors (i.e. 3 principle values per nucleus) can be used to monitor crystal structure refinements and to select the correct structure from a large population of computationally generated candidates. In this dissertation, chapter 2 describes a methodology to improve established crystal structures from three different diffraction techniques involving geometric refinement monitored using SSNMR tensor values. The calculated 13C tensors for three relatively simple organic compounds (i.e. acetaminophen, naphthalene, and adenosine) are shown to markedly improve upon DFT refinement. The so-called GGA-PBE functional provided the best agreement with experimental data. The use of the three principle values of the tensor is required for such results as the average (i.e. the isotropic) is less accurate. Chapter 3 applies this method to differentiate between hundreds of computationally predicted crystal structures. Typically, lattice energy of each candidate is used to select the correct structure, a process which is seldom successful. Herein, it is demonstrated that when 13C tensors from DFT refined structures are used for structural ranking by comparison to experimental data, only the correct structure agrees with experimental data in all cases. Chapter 4 illustrates the use of 15N tensors to monitor DFT refinement as an alternative to the 13C approach of Chapter 2. 15N tensors have been very difficult to obtain previously, thus a novel experimental method is developed here which improves signal-to-noise by as much as 300% and allows routine measurement. This improvement also improves the accuracy of the tensor values. Overall, the 15N tensors are found to be at least 5 times more sensitive to DFT refinements than 13C values

Clinical Floatation and Perceived Stress in College Students

Clinical Floatation and Perceived Stress in College Students Clinical floatation has been proposed to address a number of common concerns, such as to relieve stress, recover from injuries, fight addiction, and improve chronic pain. Previous studies have demonstrated that clinical floatation is classified as an emotion-focused coping strategy, reducing blood pressure, cortisol levels, heart rate, and muscle tension (Van Dierendonck & Te Nijenhuis, 2005). The goal of the study is to determine whether clinical floatation benefits perceived stress to a great extent than do traditional interventions or no intervention. It is hypothesized that those partaking in the float sessions will report a larger decrease in stress than those receiving no intervention or a relaxation technique. Participants will be randomly assigned to either a control condition, a 45-minute float session, or a 45-minute progressive muscle relaxation training. All participants will complete the Perceived Stress Scale prior to intervention, immediately following intervention, one week later, and one month later. This research could impact future interventions designed to decrease levels of stress for those with serious stress-related problems

A Short Journey Through the Riemann Integral

An introductory-level theory of integration was studied, focusing primarily on the well-known Riemann integral and ending with the Lebesgue integral. An examination of the Riemann integral\u27s basic properties and necessary conditions shows that this integral is not very strong. This conclusion leads to Lebesgue\u27s necessary and sufficient condition for Riemann integrability, perhaps where the Riemann integral ends and the Lebesgue integral begins: a function defined on a closed integral [a, b] is Riemann integrable if and only if the function is discontinuous on a set of measure zero. The proof of this uses that the infinite union of sets of measure zero has a measure of zero. To distinguish between the Riemann and Lebesque integral, the classical example of the dirac-delta function displays the strength of the Lebesgue integral over the Riemann integral. In conclusion, every function that is Riemann integrable is Lebesgue integrable, but the converse is not true

Search for spiritual integration, A

1997 Fall.Includes bibliographical references.My paintings are about a spiritual journey. They act as a visual description as well as a vehicle for the journey itself. For me this journey has included an exploration of utopian visions and a spiritual ideal, as well as the struggle to integrate spirituality into my life. I consider contextual issues and the process of painting as being equally important and integral aspects of these paintings. Contextually this body of work represents an exploration into a "sense of place" and "ambiguous organic forms". This sense of place or environment is not physical, it is a phenomena I perceive while I am in a meditative state. The ambiguous organic forms in my paintings act as metaphors representing myself. Introducing these forms into a sense of place allows me to explore the relationship I have with my spiritual issues and my environment. For me the processes involved with painting helps facilitate the retrieval of memories, emotions and sensations, it soothes, stimulates and mesmerizes, creating a haven for expressing the inner recesses of my soul

Families of Homogeneous Licci Ideals

This thesis is concered with the graded structure of homogeneous CI-liaison. Given two homogeneous ideals in the same linkage class, we want to understand the ways in which you can link from one ideal to the other. We also use homogeneous linkage to study the socles and Hilbert functions of Artinian monomial ideals. First, we build off the work of C. Huneke and B. Ulrich on monomial liaison. They provided an algorithm to check the licci property of Artinian monomial ideals and we use their method to characterize when two Artinian monomial ideals can be linked by monomial regular sequences. Furthermore, we use linkage to describe the socle generators of Artinian monomial ideals. This socle structure, along with techniques of B. Boyle, resulted in a partial answer to a question about unimodality of pure O-sequences; namely, we prove that in three variables, the Hilbert function of level Artinian monomial ideals linked within two steps to a CI is peaked strictly unimodal. Our main result of this thesis was motivated by the work of C. Huneke and B. Ulrich in [35], and E. Chong in [14]. Huneke and Ulrich asked if, for any Artinian licci ideal, there was a coordinate change and monomial order for which the initial ideal would be licci. We provide a negative answer to this question by addressing a question by Chong about a weaker property. He introduced a family of homogeneous licci ideals with the property that the regular sequences linking to a CI yield descending degree sequences, and called them sequentially bounded licci (SBL) ideals. Chong used this property to provide a large class of examples satisfying the Eisenbud-Green-Harris conjecture (among them, grade 3 Gorenstein ideals), and asked if all homogeneous licci ideals were SBL. We construct an infinite family of homogeneous ideals, characterized by the graded Betti numbers, that are licci but not SBL

Pink Ribbons, Blue Moons, and Silver Linings: Communicating, Coping, and Caring

DOI: 10.1080/10410236.2010.49682

A Consolidação do Venture Capital e a Sustentabilidade de Startups

TCC (graduação) - Universidade Federal de Santa Catarina. Centro Sócio-Econômico. Economia.Este trabalho visa investigar se o fluxo de investimentos realizado por venture capitalists (investidor de risco) em empresas de base tecnológica impacta a sustentabilidade financeira das mesmas. Para isso, foram utilizadas informações acerca do demonstrativo financeiro de empresas que realizaram Oferta Pública de Ações nas bolsas americanas no período de 2014 a 2017, observando principalmente as taxas médias de performance de alguns indicadores como: Receita, EBITDA, Margem EBITDA, Despesas em P&D. As principais discussões fomentadas estão ligadas a entender como a captação de recursos via fundos ou abertura de capital pode afetar o caminho para atingir o ponto de equilíbrio das mesmas, chegando-se à conclusão de que, de fato, existe um risco maior atrelado à estas empresas e muitas podem estar sobreavaliadas, aumentando a fragilidade do mercado. Posteriormente se discute alguns casos baseados nas hipóteses levantadas e possíveis soluções para tal

Frequency of Errors in Apraxic Versus Non-Apraxic Speakers

To determine if phonemic errors are more common in a) the onset vs. coda position and b) the consonant vs. vowel position of monosyllabic words for stroke survivors with and without apraxia of speec

Training Practice as Communication Medium: A Throughput Model

We join the ORGanic conversation by introducing our throughput-based approach to evaluating organizational training. Our investigation of organizational training is organic in two senses. First, organic describes how fundamental elements in nature relate in dynamic interconnections and constitute the very substance of life itself. We argue that organizational training comes to life through the dynamic interconnections among the fundamental elements of all training (Quinn, Anderson, & Finkelstein, 1996) . Employee education and learning programs are increasingly being treated as integral organizational functions Training programs are a context ripe for investigation given that training is a complex, communicative activity Taking a process approach to training evaluation allows for the assessment of training practice, or the essence of actual training sessions. Instead of inputs and outputs, training practice examines the throughputs, or what transforms the inputs into outputs. In training, this consists of the manner in which training messages are communicated to trainees. A myriad of observable components comprise training practice. Training activities, handouts, complexity of material, the opportunity for trainees to become acquainted, and enthusiasm of the trainer are all examples found in training sessions. This essay argues that training evaluation should be expanded beyond the current conventions assessing training objectives and outcomes. Both are important to training program evaluation; however, examining the ways in which objectives are accomplished and outcomes are produced may provide trainers with a systematic way of considering their communication as the medium of training as it occurs. This essay explains the communicative nature of three integral dimensions of any training practice within any training program: content, process, and trainer. First, training can only occur when content or subject matter is communicated to trainees. Second, the manner or process in which the trainer communicates content is critical to the success of training program outcomes. Third, characteristics of the trainer when communicating content and facilitating the training process creates a relationship (positive or negative) with trainees. Communication ties the three dimensions together, as it is the mechanism through which the trainer conducts his or her activity. Further in professional skill training (as presented in the four cases that follow), better communication skills are also the outcomes (also see Approaches to Training Evaluation The impetus for training is to develop individuals' job-related skill set One model of training evaluation in particular-- Despite its prominence, Kirkpatrick's model has received considerable criticism over the years, particularly for its inability to assess learning Training Practice as Communication 4 Ultimately, the model's usefulness is questionable Perhaps, the most comprehensive training system design is that of A specific framework for conducting either a formative or summative evaluation is the CIPP model Evaluations of Training Process, Training Content, and Trainer Calls for more sophisticated models of evaluation suggest Kirkpatrick's model may have run its course The PETP model does not replace nor discount the evaluation of learning outcomes; indeed, these are crucial to assess. However, evaluators seem to have too quickly jumped to evaluating outcomes instead of first evaluating training activities, their content, and the trainer--components comprised of, or that rely on, communication. The PETP model proposes an approach for examining three interrelated constructs central to the training experience as a communicative process. Results of this type of formative evaluation would assist trainers in designing and delivering training, increase the chances of obtaining desired outcomes, and help those responsible for training determine why trainees' favorable evaluations do not necessarily result in learning. The PETP model is comprised of two frames that outline three integral dimensions to any training scenario: content, process, and trainer. The model is based on field observations made of four separate training programs aimed at teaching professional skills of the type documented by Madlock (2008; e.g., collaboration, communication competence, leadership). In the remainder of this essay, contextual information about each case will be provided, followed by explanation of the process through which the model was developed. After presenting the model, examples from one case study are presented to demonstrate how the training dimensions of content, process, and trainer can result in both favorable and unfavorable outcomes as evaluated by both evaluator and participant. Description of Cases and Data Collection While different in objectives, training participants, and locations within one state, formats were fairly consistent across all four training programs observed. Each was a multi-session program in which individuals representing various organizations came together at a neutral site for multiple days. Trainers were different for each session, as were training topics. All training programs were implemented by advocacy organizations promoting social, economic, or political causes Community Leadership The first program, Community Leadership (CL; this and other organizational names are pseudonyms), was a seven-month leadership training program in which 25 members were selected via an application process. Some training participants held supervisory positions (e.g., museum administrator, private school principal) whereas others had few formal supervisory duties (e.g., teacher, community volunteer). The goal of the program was to grow community leaders, educating them about various aspects of their community. Training Practice as Communication 6 Each training day consisted of multiple training units, and was conducted by multiple trainers (generally 10 to 15 trainers per day). Training sessions consisted of invited speakers, group activities and assignments, and discussions. In addition to a two-day, 22-hour retreat at the outset of the program, training participants attended one class per month, each lasting approximately 9½ hours. Two of the researchers were part of a four-person evaluation team who observed the 89 hours of class meetings, of which the vast majority was comprised of training sessions. Field notes were taken during meetings State Leadership Initiatives The second and third training programs, State Leadership Initiatives (SLI), were held two consecutive years (SLI1 and SLI2). Thirty-four trainees (68 total) were selected for each round of training; all were employees of state agencies or state organizations. The goal of the programs was to create a network among state agency employees in order to facilitate collaboration among various agencies with the ultimate goal of improving children's health. Each training program consisted of 9 days (approximately 8 hours each), in either oneday or two-day sessions across a six month time period. Each session had different trainers (one to three trainers per day) as well as a different theme (i.e., seeing the big picture, facilitating collaborative leadership, partnering with the community). Group activities, discussions, and lectures comprised training sessions. We were members of an evaluation team who observed approximately 136 hours of SLI1 and SLI2 training sessions. Field notes were taken during sessions, resulting in 360 pages of field notes. Copies of all training materials and correspondence from the training program executive were collected, resulting in 418 pages. Consenting training participants also completed surveys at three points during the training program. Finally, approximately four to six months following the training, two members of the evaluation team conducted follow-up interviews with training participants at their agency offices, resulting in 944 pages of double-spaced transcripts. One State The fourth training program, One State (OS), took a train-the-trainer approach. This training program was conducted for 123 trainees across five sites within the state. All training participants were selected by one state agency; training participants were either employees of this state agency or employees of the agency's community partners (e.g., United Way). The goal of this training program was to equip trainees with the skills and materials needed to conduct collaboration training within their organizations and communities. While the themes, curricula, and corresponding materials of each session remained consistent across training sites, the dates, trainers, and trainees varied by location. OS participants saw the same two trainers at each session. All of the trainers were employed by a Training Practice as Communication 7 university-affiliated community consulting group called University Community Consulting (UCC). UCC developed the training curriculum that featured a series of assignments, group activities, and discussions to teach concepts, as well as a model of how to teach the concepts to others. Three sessions, each two days in length, took place in various venues over the course of seven months. Two of the researchers were members of the evaluation team who observed the 50 hours of OS sessions at one of the five locations, resulting in 121 pages of field notes. All training sites used the same training manual, schedule, and activities, ensuring program consistency. Additionally, one member of the evaluation team attended a day-long follow-up session four months after the conclusion of the training program. Copies of all training materials used by the training participants were collected, resulting in 504 pages. Consenting training participants also completed online surveys at three points during the training program. Thus, across the four cases, we observed 283 hours of the training, and gathered data from 216 trainees in the field. Also, 141 trainers were observed delivering these training experiences (CL had at least 12 trainers per day, while the remaining three training programs utilized two to four trainers each day). We witnessed both the formal training programs, as well as informal interactions among trainees, among trainers, and between trainees and trainers. Observations resulted in 731 pages of field notes and 1154 pages of training participant interview transcripts, and 1072 pages of training documents. Across the four cases, there were slightly more female than males; trainees ranged between late 20s to early 50s, and were predominantly Caucasian. Conundrums in the Field After observing these training programs, it was clear to us that commonly used training evaluation models (e.g., Two conundrums arising from our three-year experience in the field prompted us to reflect on these data collected across four training programs. First, training participants' assessment of the training almost never matched our assessment of the training. Second, we could not identify a systematic way to reconcile those differences. Thus, we posed the following question: RQ: How do trainees and professional evaluators construct evaluations of training quality? Data Analysis Similar to Zorn, Page, and Cheney's (2000) case study investigation of a New Zealand city government's planned change process, the interpretive model offered here was not conceived a priori, nor did it necessarily emerge from the data Our conversations underscored the necessary distinction between communication as the medium of training and communication as the outcome of training. Simultaneously, however, we tried not to privilege our assessment of training quality (i.e., whether or not the training achieved its outcomes; Results and Interpretation Across Four Cases Examining training practice, rather than just training outcomes allowed us to achieve a nuanced explanation of the communicative processes that influence individual and organizational outcomes. Three communicative dimensions-training content, training process, and trainerwere found to be used either implicitly or explicitly by both training participants and evaluators when evaluating training in each of the four cases. Over time, patterns were observed in how the audiences of training participants and evaluators viewed the interrelation of the dimensions. These consistently contradictory evaluations led us to propose dual perspectives best represented by a paired model. Each of these dimensions is defined and applied to the cases, followed by an overview of the PETP model