Categories Of Descriptors Research Articles

Abstract B170: Advancing cancer disparities research through the integration of new data: Opportunities from the National Institutes of Health All of Us Research Program

Abstract The NIH All of Us Research Program is building one of the largest, richest, and most diverse health datasets of its kind. The program aims to promote health equity across multiple health conditions including cancer by making a comprehensive and diverse dataset available to over 10,000 vetted and registered researchers on its Researcher Workbench (RW). The RW offers access to various data types including genomics, electronic health records, physical measurements, wearable data, and survey data on social determinants of health (SDOH) and self- reported cancer diagnoses. The latest data release (Q3 2024), also known as the Curated Data Repository (CDR Version 8) includes data from over 630,000 participants, with more than 80% from populations underrepresented in biomedical research (UBR). Racial, ethnic minoritized populations and other underrepresented groups are more likely to experience health-related disparities and inequities. While previous data releases included aggregate categories, new data released in CDR Version 8 considers the interplay of self-identified categories of demographic descriptors and allows the examination of comorbidities, while emphasizing the importance of identifying appropriate comparator groups in research and considering the heterogeneity that exists within and across groups. It includes a 40% increase in array data, a 67% increase in srWGS data, and a 150% increase in long-read sequences, as well as data from expanded EHR sources, DHT devices, a new Life Functioning Survey, and racial and ethnic subcategories for more than 610,000 participants. This vast and diverse dataset release enables the examination of the intersecting impact of SDOH on cancer-related outcomes both within and across racial and ethnic populations, including populations experiencing health-related disparities and inequities. The extensive data release is facilitated by a two-pronged approach: A robust community and participant engagement model and the All of Us Health Equity strategic plan (HESP). The program employs a socioecological model for participant recruitment and retention, specifically targeting UBR groups. This multi-level approach encompasses activities ranging from targeted outreach and awareness campaigns to establishing trust and fostering collaborative partnerships with communities and participants. HESP complements these efforts by promoting the integration of equity considerations across the research lifecycle through the promotion of data equity and data justice. This community engagement and equity integrated approach guarantees that participants who reflect the demographic diversity of cancer patients in the United States and territories are actively engaged in shaping and benefiting from cancer disparities research. This session will update the scientific audience on recent data expansions available to researchers, provide examples of how that data can be used to examine disparities in cancer outcomes and prevention, and demonstrate the importance of community engagement and health equity in advancing research. Citation Format: Karriem S Watson, JoAnn Smith, Nandita Rahman, Ryan Lupi, Rubin Baskir, Romuladus Azuine, Janeth Sanchez. Advancing cancer disparities research through the integration of new data: Opportunities from the National Institutes of Health All of Us Research Program [abstract]. In: Proceedings of the 17th AACR Conference on the Science of Cancer Health Disparities in Racial/Ethnic Minorities and the Medically Underserved; 2024 Sep 21-24; Los Angeles, CA. Philadelphia (PA): AACR; Cancer Epidemiol Biomarkers Prev 2024;33(9 Suppl):Abstract nr B170.

An analysis of flavor descriptors on tobacco products in the Philippines: Regulatory implications and lessons for low- and middle-income countries

BackgroundHistorically, tobacco companies have used flavored tobacco products to enhance the appeal of tobacco consumption, encourage initiation and experimentation of tobacco use, and contribute to sustained tobacco use. While flavored tobacco products are regulated in several countries, there is no existing regulation on flavored tobacco products in the Philippines, specifically for cigarettes and cigars. This study aims to update evidence on the flavored tobacco product landscape in the Philippines by assessing both the flavor descriptors and flavor imagery featured on cigarette and cigar packaging.ResultsWe collected 106 cigarette and cigar products from four major cities in the National Capital Region, Balanced Luzon, Visayas, and Mindanao. Of these 106 cigarette and cigar products, 62 (58.49%) had flavor descriptors. Three crushable capsule products did not feature any flavor descriptor but were included for flavor imagery examination. We identified five categories of flavor descriptors: menthol, concept descriptors, tobacco, beverages, and other flavors. Out of 62 packs, ten featured more than one flavor descriptor on the packaging. Menthol flavor descriptors comprised the majority of flavor descriptors. Imagery and other graphic elements closely resonate with and enhance the flavor descriptors found on these packs.ConclusionsThis study aimed to update the evidence on the flavored tobacco product landscape in the Philippines and address their absence of regulation. Regulating flavored tobacco products requires a comprehensive policy approach complemented by complete enforcement. Flavor substances, flavor descriptors, and flavor imagery must be regulated altogether; however, it is ideal to enforce a ban on flavored tobacco products in compliance with the WHO FCTC, to which the Philippines is a signatory. Policymakers should consider plain packaging as an intervention to eliminate the appeals associated with flavored tobacco products.

Investigating level descriptors and their impact on validity

This article presents a validation study which investigates the relationship between mastery level descriptors and item difficulty in the National Tests of English (NTE) in Norway. The aim is to establish the extent to which the descriptors indicate item difficulty and thus support the argument that the mastery levels are a reflection of the framework of the NTE. This argument strength has direct implications for validity and for the defensibility of moving from criterion-based descriptors to norm-based national data. The study involved a panel of 10 raters assigning level descriptors from 7 content categories to 80 test items, giving a total of 5,600 individual judgements. These judgements are compared to the real test scores of around 46,000 pupils to establish if the level descriptors assigned by raters can predict pupil performance on the tests. The results show a strong correlation between rater judgements and real test scores, meaning that the descriptors offer an indication of item difficulty. However, some individual descriptor categories contain deviations from the expected order. We conclude that, while the level descriptors reflect the test’s framework, and thus support the validity argument, the argument could be strengthened with the revision of some individual descriptors.

Neighborhood Inequities in Tobacco Product Descriptors, Washington, DC, 2018-2019.

The tobacco industry uses product descriptors to communicate reduced harm and increase appeal. This cross-sectional study assessed store-level racial, ethnic, and socioeconomic inequities in the distribution of retail tobacco product descriptors in a convenience sample of retailers in Washington, DC. Young adults (n = 146) who did not currently use tobacco reported real-time store visits over 14 days. Trained data collectors took high-resolution photographs of all tobacco (including e-cigarette) marketing in each store (n = 96) participants visited. We coded text descriptors on tobacco product advertisements and displays into descriptor categories (eg, fruit, sweet, concept). We fit multilevel models to examine relationships between store neighborhood census tract-level racial, ethnic, and socioeconomic characteristics and tobacco product descriptors in stores. As a supplementary analysis, we used geospatial methods to model predicted patterns of descriptors at the census tract level. Stores located in census tracts with the highest versus lowest percentage of Black residents had a greater count of fruit, sweet or dessert, alcohol, and concept descriptors (p < .05), similar to findings from the geospatial approach. Adjusted models also indicated some inequities in stores in census tracts with higher percentages of Hispanic or Latino residents for fruit, alcohol, and concept descriptors; however, tract-level models showed opposite results for concept flavors. In this convenience sample, fruit, alcohol, sweet/dessert, and concept FTP descriptors were prevalent in stores in neighborhoods with more Black residents demonstrated through two analytic approaches. Surveillance using representative samples of tobacco retailers could improve the ability to track the extent of this inequity. We document inequities in the amount of fruit, sweet or dessert, alcohol, and concept flavor descriptors in stores across neighborhoods in Washington, DC. Federal, state, and local regulatory action is needed to reduce inequities in flavored tobacco product availability and marketing, including for concept flavors.

Combining impact goal and impact descriptor frameworks to elucidate the societal impacts of research: a pilot study

Universities, researchers and funders are increasingly asking how research contributes to positive changes in society and the environment, and seeking ways to document and describe impacts consistently across diverse disciplines and organisational scales. The societal impacts framework presented in this pilot study uses a combination of impact goal and impact descriptor frameworks to elucidate the societal impacts of research. The framework blends elements of assessment-driven and mission-driven reporting frameworks, and was administered online to volunteers from one interdisciplinary environmental research institute. The 12 projects in the pilot study addressed 15 of the 17 UN Sustainable Development Goals, and all 12 projects reported impacts in two or more of six impact descriptor categories. We also identified an impact subcategory dealing with changes to higher education practice. Combining two types of impacts frameworks – societal goals and descriptors of changes – allowed us to understand how the research projects contributed to broad societal goals, not just that they addressed the goals. Responses from study participants indicated a good fit between the framework and their research efforts. However, we found that the online reporting tool, in its current form, was not effective in eliciting full and accurate reports from all participants. We reflect upon how to improve data collection in the future, as well as on opportunities for additional tests of the framework in new contexts.

Hybrid Improved Grey Wolf Support Vector Regression Algorithm for Modeling Solubilities of APIs in Pure Ionic Liquids: σ-Profile Descriptors.

The objective of this study was to model the solubility of active pharmaceutical ingredients (APIs) in different ionic liquids (ILs) based on the σ-moments of cations, anions, and APIs that were used as molecular descriptors calculated using the σ-profiles of three categories of descriptors based on conductor-like screening model for real solvents. The database of 83 API-ILs systems composed of 14 APIs, 12 cations, and 7 anions (25 ILs combinations) was collected as 850 data points at different temperature ranges. A hybrid Improved Grey Wolf Support vector regression, abbreviated as I-GWO-SVR(r), algorithm was selected as the learning method. Based on a comprehensive comparison with 11 different models, various statistical factors, and graphical analyses, including an external validation test, analysis of variance (ANOVA), and sensitivity analysis, the capability and validity of the proposed approach have been assessed and verified. The overall study confirmed that the proposed new model provided the best results in terms of predicting the solubility of APIs in ILs.

The Running Injury Continuum: A qualitative examination of recreational runners' description and management of injury.

A critical step in understanding and preventing running-related injuries (RRIs) is appropriately defining RRIs. Current definitions of RRIs may not represent the full process of injury development, failing to capture lower levels of injury that many athletes continue to train through. Understanding runners' description and management of the injury development process may allow for a more appropriate examination of all levels of injury. This study aimed to examine recreational runners' description and management of the injury development process. A qualitative focus group study was undertaken. Seven semi-structured focus groups with male (n = 13) and female (n = 18) recreational runners took place. Focus groups were audio and video recorded, and transcribed verbatim. Transcripts were reflexively thematically analysed. A critical friend approach was taken to data coding. Multiple methods of trustworthiness were executed. Runners describe injury on a nine-level continuum, ranging from injury-free to career-ending injury. There are lower and higher levels of injury. Each level of injury is described across four categories of descriptors; physical description, outcome (effect on running and daily life), psychological description, and management. The Running Injury Continuum is a tool that can be used for injury surveillance (for healthcare professionals and researchers) and for research investigating RRI risk factors. Healthcare professionals, researchers and coaches must ensure they monitor the development of all levels of RRIs, across all categories of descriptors. Runners need to be educated regarding appropriate self-management strategies for lower level injuries, with access to evidence-based information being a critical management tool.

Diagnostic Performance of Prototype Handheld Ultrasound According to the Fifth Edition of BI-RADS for Breast Ultrasound Compared with Automated Breast Ultrasound among Females with Positive Lumps

(1) Objective: To evaluate the diagnostic performance of prototype handheld ultrasound compared to automated breast ultrasound, according to the fifth edition of BI-RADS categorization, among females with positive lumps. (2) Methods: A total of 1004 lesions in 162 participants who underwent both prototype handheld ultrasound and automated breast ultrasound were included. Two radiologists and a sonographer independently evaluated the sonographic features of each lesion according to the fifth BI-RADS edition. The kappa coefficient (κ) was calculated for each BI-RADS descriptor and final assessment category. The cross-tabulation was performed to see whether there were differences between the ABUS and prototype HHUS results. Specificity and sensitivity were evaluated and compared using the McNamar test. (3) Results: ABUS and prototype HHUS observers found the same number of breast lesions in the 324 breasts of the 162 respondents. There was no significant difference in the mean lesion size, with a maximum mean length dimension of 0.48 ± 0.33 cm. The assessment of the lesion's shape, orientation, margin, echo pattern, posterior acoustic features, and calcification was obtained with good to excellent agreements between ABUS and prototype HHUS observers (κ = 0.70-1.0). There was absolutely no significant difference between ABUS and prototype HHUS in assessment of lesion except for lesion orientation p = 0.00. Diagnostic accuracy (99.8% and 97.7-98.9%), sensitivity (99.5% and 98.0-99.0%), specificity (99.8% and 99.6-99.8%), positive predictive value (98.1% and 90.3-96.2%), negative predictive value (90.0% and 84.4-88.7%), and areas under the curve (0.98 and 0.83-0.92; p < 0.05) were not significantly different between ABUS and prototype HHUS observers. (4) Conclusion: According to the fifth BI-RADS edition, automated breast ultrasound is not statistically significantly different from prototype handheld ultrasound with regard to interobserver variability and diagnostic performance.

Biodiversity Evaluation and Preservation of Italian Stone Fruit Germplasm (Peach and Apricot) in Southern Italy.

The Prunus genus encompasses a group of economically important and closely related crops, sharing an essentially common genome and, thereby, a high level of conserved and transferable microsatellite (SSR) loci. In Southern Italy, many of the local and/or neglected varieties are abandoned and at risk of extinction due to the high degree of urbanization and agricultural intensification, despite their value as genetic resources for crop improvement. This research aimed to genetically and morphologically characterize the traditional apricot (P. armenica) and peach (P. persica) germplasms collected in old family orchards. Most of the official descriptor categories were scored, thus revealing a rather high level of phenotypic variation in both collections. Genetic data allowed the discovery of diversity masked by morphological traits. Genotyping in 15 and 18 SSRs, eight of which were transferable across both species, showed an average polymorphic informativeness (PIC) of 0.44 and 0.59 for apricot and peach, respectively, and a total of 70 and 144 alleles. A reliable identification of each genotype was achieved, and the presence of possible mislabeling and/or erroneous denominations was solved. These results are encouraging for the valorization of the still poorly explored Italian Prunus germplasm, with significant economic consequences for bioresource conservation and management.

Abstract WP228: Stroke Risk Quantification For Patients With A Left Ventricular Assist Device

Introduction: Stroke is a leading cause of death and disability and a significant complication for heart failure patients on Left Ventricular Assist Device (LVAD) support. Most of these stroke cases are embolic in nature. Yet, specifics of embolus transport to the brain by the flow driven by an LVAD are poorly understood; precluding a clear understanding of post-implant stroke risks in these patients. Here we demonstrate an innovative stroke risk descriptor using in silico embolus transport analysis. Methods: Cardiac gated CTA images with LVAD graft were obtained for 6 patients. 3 patients reported post-LVAD stroke and the other 3 did not. 3D computer models of the LVAD graft, aortic arch, and branch vessels to the head were created using SimVascular. Blood flow from LVAD was computed for each model using LVAD flow rate and mean blood pressure as inputs. A custom fluid-particle interaction model for embolus transport was used to obtain the distribution of emboli entering the arch from the LVAD. A combination of normalized embolus distribution was used to create a stroke risk descriptor and compared across the stroke and non-stroke cases. Two sets of descriptors were defined using: (a) embolus distribution to the head; and (b) distribution to the head as well as accumulation at aortic root near the dysfunctional aortic valve. Results: We present results from 5,000 different embolism scenarios using representative thromboembolic particles of 1 mm diameter. For descriptor category (a) defined in Methods, the computed average for post-LVAD stroke cases was 0.35 as compared to 0.24 for those without post-LVAD stroke. For risk of embolic events in the brain including embolus accumulation in aortic root (i.e. descriptor category (b) in Methods) the reported averages were 0.38 and 0.27 for stroke vs no-stroke cases. Conclusions: The results indicate that our descriptor is a good surrogate for identifying stroke risks post-LVAD implantation, with stroke cases correlated with high values of the descriptor. The results also indicate that emboli traveling from LVAD graft into the arch, as well as emboli accumulating in regions of stasis at the aortic root may both contribute to stroke risks in patients with an LVAD. Continued investigations with bigger patient cohorts are needed.

Phyllodes tumour evidence gaps mapped from the 5th edition of the WHO classification of tumours of the breast.

Breast phyllodes tumours (PTs) are a rare subset of fibroepithelial neoplasms categorised into benign, borderline, and malignant grades according to the World Health Organization (WHO) Classification of Tumours (WCTs). In this report, we developed an evidence gap map (EGM) based on the literature cited in the PT chapter of the 5th edition of the breast WCT in order to identify knowledge and research gaps in PT. A framework was first established where the dimensions of the EGM were defined as categories of tumour descriptors, tumour types, and evidence levels. Citations were collected into a Microsoft Excel form and imported into EPPI-reviewer to produce the EGM. The EGM showed that the "Histopathology" and "Pathogenesis" sections contained the most citations, the majority being of low-level evidence. The highest number of citations considered of moderate-level evidence were found in the "Histopathology" section. There was no high-level evidence cited in this chapter. The "Localisation", "Aetiology", and "Staging" sections had the fewest citations. This EGM provides a visual representation of the cited literature in the PT chapter of the breast WCT, revealing the lack of high-level evidence citations. There is an uneven distribution of references, probably due to citation practices. Pockets of low-level evidence are highlighted, possibly related to referencing habits, lack of relevant research, or the belief that the information presented is standard accepted fact, without the need for specific citations. Future work needs to bridge evidence gaps and broaden citations beyond those in the latest WCT.

The EMory BrEast imaging Dataset (EMBED): A Racially Diverse, Granular Dataset of 3.4 Million Screening and Diagnostic Mammographic Images.

Supplemental material is available for this article. Keywords: Mammography, Breast, Machine Learning © RSNA, 2023.

Multi-Channel and Omni-Channel Retailing in the Scientific Literature: A Text Mining Approach

Electronic commerce appeared as a new way of managing businesses in the digital era. However, it has also been accelerated by the recent pandemic situation. Retailers had to find new strategies of reaching customers in the online environment. Thus, concepts such as multi-channel and omni-channel retailing have gained the attention of both retailers and researchers in this field. This paper aims at using a text-mining approach in order to reveal the researchers focus on this theme in a period that also precedes and covers the COVID-19 pandemic. The research methodology follows five steps that are necessary in order to obtain a relevant collection of documents that will further provide the content to be analyzed. These steps refer to: (1) Creating the database of documents for analysis purposes; (2) identifying geographic areas for separating the collection’s documents; (3) framing a thematic dictionary of descriptors; (4) exploring the text using text mining approach; and (5) correspondence analysis. The discussion of the main findings is constructed starting with the geographic and the temporal distribution of documents and the design of a thematic dictionary of descriptors. Then, exploring the content of the documents provides information on the frequency of descriptors and reveals clusters of descriptors along with a link analysis. All of them are presented separately on geographic regions. Finally, the correspondence analysis of descriptors versus years provides the proximity maps and reveals the preferred topics and less approached themes. Among the main findings, one can highlight: (1) The greatest contributor in terms of documents related to the theme of interest is the United States; (2) a higher number of connections (and stronger) among descriptors for America as compared to the other two regions; (3) some categories of descriptors are specific to a particular year, which means that there are different themes under the researchers lens depending on the period; (4) the most frequently used descriptors are included in the following categories from the dictionary: Online retail environment and Consumer behavior, regardless of the region. In the end of this paper, research limitations and guidelines for future research are elaborated.

Understanding the use of evidence in the WHO Classification of Tumours: a protocol for an evidence gap map of the classification of tumours of the lung

IntroductionThere are gaps in the evidence base of tumour classification despite being essential for cancer diagnosis, treatment and patient care. The WHO in charge of the production of an updated...

A content analysis of website marketing for cooling flavored e-liquids in a sample of brick-and-mortar vape shops in the Greater Los Angeles area.

INTRODUCTIONMenthol is a characterizing flavor in combustible cigarettes and electronic nicotine delivery systems (ENDS). E-liquids are recognized as an important reason for ENDS use. Yet, compared to menthol cigarettes, menthol flavored e-liquids and other cooling flavors, including mint and ‘ice’ for ENDS, are an understudied area of investigation. The present study examined cooling flavored e-liquid website marketing among brick-and-mortar vape shops in Greater Los Angeles Area.METHODSA total of 104 brick-and-mortar vape shops were identified, and 38 had active websites. Over a 30-day period (28 September – 28 October 2020), we collected marketing for all flavored refillable e-liquids (photos/images) from each website. Data were collected for 1330 products. Only refillable e-liquid bottles were selected for this study, excluding prefilled pod vapes and disposable vapes. Each e-liquid per website was coded (e.g. menthol or not) and grouped into categories (e.g. type of menthol). The three flavor descriptor categories that the e-liquids were grouped into were menthol, mint, or ice. An ‘other’ category was also created for identified e-liquids with flavor descriptors that did not mention menthol, mint, or ice.RESULTSA total of 1330 e-liquid flavors were identified from 38 active websites. Among them, 219 were coded as menthol/mint/ice flavor e-liquids. Frequencies included ice/iced/icy (n=123; 56%), menthol (n=32; 15%), mint (n=23; 11%), and other (n=41; 19%). Of the 123 ice-flavor e-liquids, 70.3% (n=83) were in combination with fruit (e.g. ‘Apple Ice’, ‘Grape Iced’, ‘Icy Mango’). Of the 32 menthol-flavored e-liquids, 63.3% (n=19) were in combination with fruit (e.g. ‘Dragon Fruit Menthol’, ‘Blue Raspberry Menthol’, ‘Fresh Peach Menthol’). Flavors in the other category were ice-related flavor descriptors (e.g. ‘Arctic Air’, ‘Brain Freeze’, ‘Frozen Hulk Tears’).CONCLUSIONSBrick-and-mortar vape shops in the Greater Los Angeles Area market a variety of cooling flavor e-liquids on their websites. Such marketing focused largely on ice fruit flavor combinations. Future research is needed to understand how exposure to and appeal of cooling flavored e-liquid marketing differs among diverse consumer groups, including adult menthol cigarette smokers and non-smoking youth.

Descriptors in Letters of Recommendation for Otolaryngology Residency Across Gender, Race, and Time

To determine whether differences exist in the descriptors used in letters of recommendations for Otolaryngology - Head and Neck Surgery (OHNS) residency candidates, comparing race and gender as depicted in visual letters of recommendation (VLORs) from the 2014 and 2019 application cycles. Four hundred thirty-three LORS (284 narrative LORs and 149 standardized LORs) and 63 medical student performance evaluations for 104 candidates who interviewed at the University of Cincinnati OHNS residency program in 2014 and 2019 were analyzed. Descriptors from LORs and medical student performance evaluations were collected by two reviewers and QSR NVivo 12 was used to generate a word cloud that grouped words by synonym and weighted them by frequency. Reviewers coded these synonyms into one of eight descriptor categories. Race and gender were self-reported from residency applications. The average of each category frequency for each race and gender were compared using student t-tests. University of Cincinnati OHNS Residency Program. 104 OHNS applicants that interviewed at the University of Cincinnati in 2014 and 2019. Of the 104 candidates reviewed, 39 were female (37.5%). 66/104 (63%) of applicants identified as white, 31/104 (30%) as non-white, and 7/104 (7%) preferred not to say. No significant differences were found between male vs female descriptors. However, white applicants had more "leadership" descriptors (1.3% vs 0.5%, p = 0.01) and fewer "intelligence" words (6.6% vs 4.8%, p = 0.02) than non-white applicants. Applicants in 2019 were described with more team player (14.2% vs 9.6%, p < 0.0001), leadership (1.6% vs 0.7%, p = 0.047), and reserved (1.7% vs 0.7%, p = 0.02) words, but fewer grindstone (25.2% vs 32.1%, p < 0.0001) and ability/agentic (27.9% vs 32.6%, p < 0.0001) words than applicants in 2014. In VLORs for OHNS residency, male and female applicants are described similarly, but white applicants are described as leaders more frequently and as intelligent less frequently than non-white counterparts. Regardless, it is encouraging to see applicants described with a more humanistic vocabulary in 2019.

Correlations Between Proposed Orthoepic Competence Descriptors and Japanese Language Ability

In this paper, three types of Japanese online tests, and self-assessment questionnaires comprised of 13 descriptor categories, including one category on Japanese orthoepic competence, were issued to 15 Japanese language learners attending language schools in Japan. As a result, we confirmed a more than moderate positive correlation between the orthoepic competence descriptors and test scores, both concerning the individual scores on the three tests and the aggregate total of those scores. Based on these test results, learners were categorized into different skill levels, such as novice, intermediate, and advanced. Learners who scored at the intermediate level with their grammar test or scored over 170 total points across all tests tended to evaluate themselves at a B-level or higher competency level.

QSPR modelling for investigation of different properties of aminoglycoside-derived polymers using 2D descriptors

ABSTRACT The quantitative structure‐property relationship (QSPR) method is commonly used to predict different physicochemical characteristics of interest of chemical compounds with an objective to accelerate the process of design and development of novel chemical compounds in the biotechnology and healthcare industries. In the present report, we have employed a QSPR approach to predict the different properties of the aminoglycoside-derived polymers (i.e. polymer DNA binding and aminoglycoside-derived polymers mediated transgene expression). The final QSPR models were obtained using the partial least squares (PLS) regression approach using only specific categories of two-dimensional descriptors and subsequently evaluated considering different internationally accepted validation metrics. The proposed models are robust and non-random, demonstrating excellent predictive ability using test set compounds. We have also developed different kinds of consensus models using several validated individual models to improve the prediction quality for external set compounds. The present findings provide new insight for exploring the design of an aminoglycoside-derived polymer library based on different identified physicochemical properties as well as predict their property before their synthesis.

Boston Naming Test: Lose the Noose.

Administering the noose item of the Boston Naming Test (BNT) has been questioned given the cultural, historical, and emotional salience of the noose in American culture. In response, some have modified the BNT by skipping/removing this item and giving the point as if the examinee responded correctly. It is unknown, however, whether modifying standardized administration and scoring in this manner affects clinical interpretation. In the present study, we examined the prevalence of noose item failure, whether demographic and clinical characteristics differed between those who responded correctly versus failed the item, and whether giving a point to those who failed affected clinical interpretation. Participants included a mixed clinical sample of 762 adults, ages 18-88years, seen for neuropsychological evaluation at one of five sites within the USA. Those who failed the item (13.78%) were more likely to be female, non-White, and have primary diagnoses of major neurocognitive disorder, epilepsy, or neurodevelopmental disorder. Noose item failure was associated with lower BNT total score, fewer years of education and lower intellectual functioning, expressive vocabulary, and single word reading. Giving a point to those who failed the item resulted in descriptor category change for 17.1%, primarily for patients with poor overall BNT performance. Only a small percentage of patients fail the noose item, but adding a point for these has an impact on score interpretation. Factors associated with poorer overall performance on the BNT, rather than specific difficulty with the noose item, likely account for the findings.

Finding the direct energy-structure correlations in intramolecular aromaticity assisted hydrogen bonding (AAHB)

A predictive model for intramolecular hydrogen bond energy (EHB) calculation of polyaromatic ortho-hydroxyaldehydes based on a set of small, functionalized hydrocarbons is developed. The complete data set of 18 compounds was used for this study. The model is based on one of four optional categories of molecular descriptors: geometric, spectroscopic, bond order and topological indices. The model of Wiberg bond indices (WBIs) as descriptors of the CC involved bond based on stepwise regression has acceptable prediction abilities for 14 structures of ortho-hydroxyformylobenzo[a]pyrene derivatives already at the semiempirical level. The presented correlation enables a significantly more rapid and quantitative description of the hydrogen bonding strength than the much more time-consuming MTA method. Thus, WBIs are shown to provide a reliable means for fast prescreening of the energy of chelate hydrogen bonds potentially for any polyaromatic derivatives.