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Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM
No full textRecent interest in polarizable embedding methods for electronic excited states has so far been focused on optical absorption and emission spectra calculations. To explore the suitability of these methods for excited-state reactions, we constructed a simple molecular system with an electronic crossing coupled to a polarizable species: the triatomic LiFBe. We found that current polarizable QM/MM methods inadequately describe the potential energy surfaces in this system, particularly close to the electronic crossing, so we developed a new polarizable embedding method called dynamically weighted polarizable QM/MM. The new method reproduces the potential energy surfaces of LiFBe from full-system multireference configuration interaction singles and doubles calculations with near-quantitative accuracy
The Familial and the Familiar: Locating Relatedness in Colombian Donor Conception
No full textIn this article, I explore how women undergoing in vitro fertilization with familial or anonymous egg donors located relatedness with a donor-conceived child through familial and social identities. Recognizing gametes as substances that contain biological and sociocultural/behavioral traits shaped women’s narratives around interconnected notions of the familial and familiar, or the social understanding of biological and social inheritance, and knowledge of the genetic materials involved. Women’s narratives of relatedness reflect their relationships with family and society and their desire to reproduce these relationships in their child(ren), a process that reproduces prevailing Colombian social values and notions of ideal citizens
Financial Conflicts of Interest Policy and Guidelines
No full textThe goal of this policy is to assure that the objectivity and integrity of the researcher, the University, and academic research, training, or other activities are not compromised or perceived to be compromised by considerations of personal gain or financial benefit. It is not the intention of this policy to ban all potential financial conflicts of interest, but rather to develop strategies to effectively and successfully manage financial conflicts of interest
Xm \u3csup\u3e2\u3c/sup\u3e Scores for Estimating Total Exposure to Multimodal Strategies Identified by Pharmacists for Managing Pain: Validity Testing and Clinical Relevance
No full textObjective. To assess the validity of an exposure score obtained from the Xm 2 tool for all pharmacological and nonpharmacological strategies used by individuals to manage chronic pain. Methods. Using data from individuals with chronic pain, eXposure multimodal (Xm 2 ) scores were calculated by assigning one point for every 100 mg of morphine equivalent used (opioid medications); 25% of the maximum recommended exposure used (nonopioid medications); and any use of another strategy then summed. Content, criterion, construct, and convergent validity were assessed. Results. The sample of 149 individuals used a mean of 12.6 (SD = 4.6) strategies to manage pain and had a mean Xm 2 score of 16.8 (SD = 9.1). Content validity was established by demonstrating that the pain management strategies identified were also reported in the literature. Criterion validity was established by the positive association of exposure scores with the following: interference with work (odds ratio (OR) = 2.23, 95% confidence interval (CI) = 1.14-4.36), daily activities (OR = 2.10, CI = 1.07-4.13), relationships (OR = 1.98, CI = 1.01-3.88), and leisure activities (OR = 2.31, CI = 1.18-4.50); workdays missed (OR = 5.10, CI = 1.92-13.58); emergency department visits (OR = 3.40, CI = 1.17-9.91); hospitalizations (OR = 4.18, CI = 0.86-20.37); and by a negative association with satisfaction (OR = 0.40, CI = 0.18-0.88). Construct validity was established by the positive association of exposure with baseline pain intensity (p\u3c0.01) and odds of experiencing an adverse event (OR = 2.31, CI = 1.18-4.52). Convergent validity was established through correlations of pain intensity from the Xm 2 score and existing quantitative analgesic questionnaire (QAQ) score. Discussion. Xm 2 scores represent a valid estimate of total exposure to multimodal strategies used and provide clinically relevant information for deciding what strategies to use at what level
The Burden of Viruses in Pneumonia Associated With Acute Respiratory Failure: An Underappreciated Issue
No full textBackground: Pneumonia associated with mechanical ventilation (MV) results in substantial mortality and represents a leading reason for the use of antibiotics. The role of viruses in this setting is unclear. Identifying a viral cause in such instances could facilitate antibiotic stewardship. Methods: We performed a secondary analysis of a prospective cohort with pneumonia requiring MV. We included both cases occurring in the community and hospital-onset cases and classified patients according to the cause of the pneumonia. The prevalence of viral pathogens represented the primary end point. We identified variables independently associated with isolation of a viral organism as the sole pathogen. Results: The cohort included 364 patients, and a virus was the sole pathogen in 79 cases (21.7%). The most common viruses included rhinovirus/enterovirus (n = 20), influenza A (n = 12), and respiratory syncytial virus (n = 11). The rate of in-hospital death was high (37.2%) and did not differ from that seen in other patients (36.5%). The duration of MV, hospital length of stay, and 30-day readmission rates also did not differ based on the cause of pneumonia. Two variables were independently associated with recovery of a virus: an Acute Physiology and Health Evaluation II score of \u3c 26 (adjusted odds ratio [AOR], 0.51; 95% CI, 0.28-0.93; P =.027) and stem cell transplantation (SCT) (AOR, 4.39; 95% CI, 2.03-9.50; P =.001). A sensitivity analysis excluding patients who underwent SCT did not substantially alter our observations. Conclusions: Viruses represent a major cause of pneumonia in critically ill patients requiring MV. Identifying such subjects presents an opportunity for discontinuing antibiotics. Clinicians should consider systematically evaluating patients with pneumonia requiring MV for viral pathogens
Identification of key business and management skills needed for pharmacy graduates
No full textObjective. To identify key business, management, and human resources skills needed by pharmacy graduates. Methods. Pharmacy preceptors were recruited for inclusion in one of four focus groups. At each focus group, participants were asked to complete a demographic questionnaire and to identify key skills that new graduates need but do not have. Each focus group was audio-recorded, transcribed, de-identified, and categorized using a data dictionary. Results. Twenty-seven preceptors participated in the focus groups. Fourteen participants had a Doctor of Pharmacy degree. Participants were involved in management positions for a median of 10.5 years (range 5-21 years) and 50% (median) of their time was devoted to management responsibilities (range 20%-80%). Seven themes were identified as being most critical: communication, business skills, de-cision-making and time management, conflict resolution, leadership and professionalism, personnel management, and computer software techniques. Conclusion. Communication was the most prominent skill identified, followed by decision-making and business knowledge. These skills should be addressed in pharmacy curricula. Future research should focus on how to best teach these skills
Deep language space neural network for classifying mild cognitive impairment and Alzheimer-type dementia
No full textIt has been quite a challenge to diagnose Mild Cognitive Impairment due to Alzheimer\u27s disease (MCI) and Alzheimer-type dementia (AD-type dementia) using the currently available clinical diagnostic criteria and neuropsychological examinations. As such we propose an automated diagnostic technique using a variant of deep neural networks language models (DNNLM) on the verbal utterances of affected individuals. Motivated by the success of DNNLM on natural language tasks, we propose a combination of deep neural network and deep language models (D2NNLM) for classifying the disease. Results on the DementiaBank language transcript clinical dataset show that D2NNLM sufficiently learned several linguistic biomarkers in the form of higher order n-grams to distinguish the affected group from the healthy group with reasonable accuracy on very sparse clinical datasets
Occupational Health and Safety Screening for Animal Handlers
No full textUHSP is committed to providing a safe working environment for all personnel, including individuals who have contact with animals in research. University of Health Sciences and Pharmacy in St. Louis (UHSP) maintains an occupational health program for employees coming into contact with animals intended for use in research that includes education, use of appropriate personal protective equipment and screening for risk and additional precautions or restrictions on animal use by an employee
Authorship on Scientific and Scholarly Publications Policy
No full textScientific and scholarly publications, including articles, abstracts, conference presentations, and grant proposals, are essential for sharing research and ideas with academic, professional, and public audiences. To advance knowledge, these works must be published with enough clarity and detail to allow others to understand, replicate, and build upon them.
For authors, publication supports academic recognition, funding opportunities, and career advancement. However, with these benefits come responsibilities: authors must ensure the integrity of their research through careful planning, execution, analysis, and reporting.
As members of the University of Health Sciences and Pharmacy in St. Louis, faculty, staff, and students share a commitment to upholding the principles of responsible authorship. This policy outlines the key expectations and best practices for ethical and accurate scholarly publication within our academic community.
Applies to Faculty, Staff, Fellows, Trainees, and Students affiliated with University of Health Sciences and Pharmacy in St. Louis
Controlled Substances in Laboratory and Animal Research Policy
No full textUniversity of Health Sciences and Pharmacy in St. Louis’ policy for the use of controlled substances in laboratory and animal research provides an overview of responsibilities that must be met when using controlled substances in laboratory and/or animal research.
This policy applies to all UHSP faculty, staff, and students, and UHSP affiliated investigators who use controlled substances in laboratory and/or animal research and receive materials through the University\u27s license or an individual researcher\u27s license. This policy applies to all materials listed on Schedules I-V, as described in 21 CFR § 1300.01 and 19 CSR 30-1. The DEA has a complete list of Controlled Substances. This policy does not apply to the use of Controlled Substances in clinical patient care or clinical human subjects\u27 research.
This policy also applies to investigators who obtain controlled substances through an outside, commercial vendor or government agency, for use in laboratory research not involving animals, or for approved animal research where investigators purchase controlled substances directly from commercial vendors or receive them from government agencies using the University\u27s license or an individual researcher\u27s license