bluuebunny/crossref_metadata_2025_split huggingface dataset:
HepG2 as promising cell‐based model for biosynthesis of long‐term metabolites: Exemplified for metandienone
Authors: Zschiesche Annette , Chundela Zdenek , Thieme Detlef , Keiler Annekathrin M. 
Published: October 2021

AbstractIn order to detect the abuse of substances in sports, the knowledge of their metabolism is of undisputable importance. As in vivo administration of compounds faces ethical problems and might even not be applicable for nonapproved compounds, cell‐based models might be a versatile tool for biotransformation studies. We coincubated HepG2 cells with metandienone and D3‐epitestosterone for 14 days. Phase I and II metabolites were analyzed by high‐performance liquid chromatography (HPLC)–tandem mass spectrometry and confirmed by gas chromatography–mass spectrometry (GC–MS). The metandienone metabolites formed by HepG2 cells were comparable with those renally excreted by humans. HepG2 cells also generated the two long‐term metabolites 17β‐hydroxymethyl‐17α‐methyl‐18‐nor‐androst‐1,4,13‐trien‐3‐one and 17α‐hydroxymethyl‐17β‐methyl‐18‐nor‐androst‐1,4,13‐trien‐3‐one used in doping analyses, though in an inverse ratio compared with that observed in human urine. In conclusion, we showed that HepG2 cells are suitable as model for the investigation of biotransformation of androgens, especially for the anabolic androgenic steroid metandienone. They further proved to cover phase I and II metabolic pathways, which combined with a prolonged incubation time with metandienone resulted in the generation of its respective long‐term metabolites known from in vivo metabolism. Moreover, we showed the usability of D3‐epitestosterone as internal standard for the incubation. The method used herein appears to be suitable and advantageous compared with other models for the investigation of doping‐relevant compounds, probably enabling the discovery of candidate metabolites for doping analyses.
Serum Albumin Antifouling Effects of Hydroxypropyl‐Cellulose and Pluronic F127 Adsorbed on Isobutyramide‐Grafted Stellate Silica Nanoparticles
Authors: Bizeau Joëlle , Adam Alexandre , Bégin‐Colin Sylvie , Mertz Damien 
Published: October 2021

AbstractLimiting the serum protein fouling is a major challenge in the design of nanoparticles (NPs) for nanomedicine applications. Suitable chemical surface modification strategies allow to limit the interactions with adsorbing proteins. In this communication, we address the potential of isobutyramide (IBAM) groups grafted on stellate silica nanoparticles (STMS) for the immobilization of two biocompatible polymers renown for biomedical and low fouling applications: Hydroxypropylcellulose (HPC) and Pluronic F127 (PF127). We report that both polymers can be loaded on STMS@IBAM NPs surface with a maximum loading content close to 10 wt %. Regarding their antifouling properties, we report that the coatings of such HPC or PF127 polymers allow to reduce significantly the human serum albumin (HSA) adsorption in average by 70 % as compared to the surface of the free polymer STMS@IBAM. These results highlight the antifouling potential of these polymer pre‐treatments on IBAM‐modified STMS NPs surface.
A Label‐free Electrochemiluminescence Sensing for Detection of Dopamine Based on TiO2 Electrospun Nanofibers
Authors: Fan Xuemei , Sun Nan , Wang Shumin , Xu Min , Zuo Cheng , Xu Xiaojuan , Li Zhejian , Sun Qiangqiang , Wang Yimeng , Liu Ping , Fan Xinhui 
Published: October 2021

AbstractTiO2 electrospun nanofibers (TiO2 ENNFs) were synthesized with titanium tetraisopropoxide as precursor by an electrospinning process and characterized by SEM, TEM, XRD, XPS, FT−IR, UV and FL. For the excellent properties of film formation, Nafion/TiO2 ENNFs modified electrode was constructed, which exhibited an excellent electrochemiluminescence (ECL) performance and stability while K2S2O8 as co‐reactant. In the presence of dopamine (DA), the ECL signal quenched, which was due to that DA easily can be oxidized by holes generated by S2O82− in electrode surface, thereby inhibiting the formation of TiO2*. Based on this, a new ECL method was proposed for DA detection with a linear range from 0.033 μM to 6.7 μM. The detection limit was 0.017 μM and it was applied in the detection of DA in dopamine hydrochloride injection with satisfactory results.
How much energy is stored in SARS‐CoV‐2 and its structural elements?
Authors: Şimşek Bartu , Özilgen Mustafa , Utku Feride Şermin 
Published: October 2021

AbstractSevere acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is the virus causing the COVID‐19 disease. Data regarding the morphological properties of this virus are collected from the literature and then the energy stored in each structural element is calculated with Domalski and Hearing's group contribution method. Viruses, including the Corona viruses, derive all of their energy from the host cell and carry out all of their activities with this energy. SARS‐CoV‐2 construct a vehicle needed for the delivery of its mRNA to other hosts to inflict them with the disease. Upon transfer of the viral RNA to the new host, the remaining parts of the viral structure are discarded. Structural and molecular assessments showed that the chemical formula of SARS‐CoV‐2 virus is C7,336,852H12,384,463N1,247,424O1,915,357P100,231S25,084 and its enthalpy of formation is −8.70 × 10−16 kJ. Comparison of SARS‐CoV‐2 with the other viruses shows that its elemental composition does not like any of the others. The results of this study are expected to improve our knowledge of the thermodynamic properties of this virus.
Co‐creating developmental science
Authors: Whitmore Lucy B. , Mills Kathryn L. 
Published: October 2021

AbstractCo‐creating science with members of the researched population improves the science being conducted. Here, we argue that developmental science would particularly benefit from incorporating co‐creation into the scientific process given the unique strength of including the perspectives of young people with lived experiences in scientific research. We propose that developmental scientists approach co‐created research similarly to other open science practices and provide considerations for working with young people and community organizations in co‐created developmental science projects.
Accuracy of different triage strategies for human papillomavirus positivity in an Italian screening population
Authors: Gustinucci Daniela , Benevolo Maria , Cesarini Elena , Mancuso Pamela , Passamonti Basilio , Giaimo Maria Donata , Corvetti Rosa , Nofrini Valeria , Bulletti Simonetta , Malaspina Morena , Tintori Beatrice , Giorgi Rossi Paolo ,   the Umbria HPV Screening Working Group
Published: October 2021

AbstractHow to manage human papillomavirus (HPV)‐positive women in cervical cancer screening remains debated. Our study compared different strategies to triage HPV positivity in a large cohort of women participating in a population HPV‐based screening program. Women were tested for HPV (Cobas 4800; Roche), and those positive were triaged with cytology; cytology‐positives were referred to colposcopy, while negatives were referred to 1‐year HPV retesting. All HPV‐positive women were also evaluated with p16/ki67 dual staining (Roche). All lesions found within 24 months of follow‐up were included in the analyses. Of the 70 146 women tested, 4757 (6.8%) were HPV‐positive. Of these, 1090 were cytology‐positive and were referred to colposcopy. Of the 2958 HPV‐positive/cytology‐negative women who presented at 1‐year retesting, 1752 (59.9%) still tested positive. Cumulatively, 532 CIN2+ (including 294 CIN3+) were found. The sensitivity of cytology, HPV16/18 and p16/ki67 as triage test for CIN3+ was 67.9%, 56.0% and 85.0%, respectively. The positive predictive value (PPV) for immediate colposcopy referral was 21.0%, 15.8% and 22.9%, respectively. Combining cytology with typing increased sensitivity to 83.9% and lowered PPV to 14.8%, while combining p16/ki67 and typing increased sensitivity to 91.1%, lowering the PPV to 15.9%. Women negative to p16/ki67 triage presented a cumulative 1‐year CIN3+ risk of about 1%. In conclusion, when triaging HPV positivity, p16/ki67 performed better than cytology with or without HPV16/18 genotyping. The strategies that included dual staining achieved sensitivity and low 1‐year risk for CIN3+ sufficiently high enough to permit considering extending the surveillance interval to 2 to 3 years for HPV‐positive/triage‐negative women.
Label‐free detection of living cervical cells based on microfluidic device with terahertz spectroscopy
Authors: Yang Xiaoyue , Li Mei , Peng Qi , Huang Jian , Liu Lifen , Li Ping , Shu Chenggan , Hu Xing , Fang Jie , Ye Fei , Zhu Weipei 
Published: October 2021

AbstractEarly diagnosis of cervical cancer is essential for a good prognosis. Terahertz wave detection technology is a nondestructive and label‐free physical detection technology, which can detect and monitor the cancer cells in real time, especially for patients with deep or inaccessible tumors. In this study, a single‐cell‐layer microfluidic device was developed. After replacing the optical clearing agent, the characteristics of H8, HeLa and SiHa cell lines in adherent and suspended states were detected. Additionally, the absorption increased with increasing cell density. For the mixed suspension cell samples, principal component analysis–support vector machine method was used to identify benign and malignant cell component. After living cells formaldehyde, changes in cell membrane permeability were evaluated to identify the cell survival status (i.e., dead or living) based on terahertz spectroscopy amplitude differences. Therefore, extending the terahertz spectrum detection to the molecular level can characterize the life essence of cells and tissues.
Minnesota Multiphasic Personality Inventory‐Adolescent‐Restructured Form (MMPI‐A‐RF) characteristics of ADHD in a Korean psychiatric sample
Authors: Chakranarayan Cheryl , Weed Nathan C. , Han Kyunghee , Skeel Reid L. , Moon Kyungjoo , Kim Ji‐Hae 
Published: October 2021

AbstractGlobal rates of attention‐deficit/hyperactivity disorder (ADHD) have risen. In Korea, ADHD is associated with functional impairments and comorbidity with other psychological disorders. This study examined the correlates of ADHD in a psychiatric sample of Korean adolescents on the Minnesota Multiphasic Personality Inventory‐Adolescent‐Restructured Form (MMPI‐A‐RF). In a clinical sample of 247 adolescents, MMPI‐A‐RF scores from 46 patients diagnosed with ADHD were compared to the remainder of the clinical sample and to the Korean MMPI‐A‐RF norms. Results demonstrated significantly different scores for the ADHD group on scales indicating externalizing concerns and behavior dysfunction compared with the clinical group with other disorders and to a normative sample. Notable differences were also observed between clinical groups on scales reflecting interpersonal functioning. Relative risk ratio analyses demonstrated that an MMPI‐A‐RF T‐score of 55 was generally most effective for predicting risk for an ADHD diagnosis in the clinical sample.
Lignocellulosic residue valorization in a sequential process of solid‐state fermentation and solid substrate anaerobic digestion
Authors: Caroca Eric , Elorrieta Mariela , Palma Carolyn , Navia Daniel , Lebrero Raquel , Carvajal Andrea 
Published: October 2021

AbstractBACKGROUNDLignocellulosic residue valorization is a relevant topic because the study of residue and waste recycling is essential for circular economy development. This area is focused on treatment development for value‐added compound production. This work presents a sequential process of solid‐state fermentation (SSF) by white‐rot fungi (WRF) followed by solid substrate anaerobic digestion (SSAD) with the objective of producing bioenergy and other ancillary product. The agricultural residue from common bean pod (Phaseolus vulgaris) has never been studied for the purpose of a biorefinery concept. In addition, the intermediate stage for enzyme recovery was evaluated, comparing two extractants on their enzyme stability and effectiveness effect and the subsequence SSAD process effect.RESULTSTrametes versicolor produced the highest enzymatic activity of laccase, reaching 1588 U L−1 at 12 days of SSF. Under this condition, both extractants showed excellent enzymatic stability at 17 °C, but only the enzymes recovered with phosphate buffer were capable of the micropollutant degradation. SSF caused an increase in biodegradability of the lignocellulosic residue, providing an increase in biogas yield between 0% and 75.5%; however, high volatile solids consumption during fungal growth decreased the amount of biogas per volatile solid mass before treatment.CONCLUSIONCommon bean pods were successfully valorized through the sequential process by SSF of the WRF T. versicolor and SSAD, producing enzymes as a value‐added product and biogas from the remaining solids. The enzymes produced were stable and effective for micropollutant degradation when they were recovered with phosphate buffer. © 2021 Society of Chemical Industry (SCI).
Experiences of United States genetic counseling supervisors regarding race/ethnicity in supervision: A qualitative investigation
Authors: Dewey Cheyenne , McCarthy Veach Patricia , LeRoy Bonnie , Redlinger‐Grosse Krista 
Published: October 2021

AbstractWhile addressing culture in supervision is important, research suggests genetic counseling supervisors are unsure how to discuss it within the supervisory relationship. This study explored the perceptions of genetic counselor supervisors from the United States regarding how their supervisors approached racial/ethnic differences in their supervisory relationships when they were students, effects on those relationships, and subsequent influences on their supervision practices. Nine genetic counselors who self‐identified as White/Caucasian, and nine who self‐identified as racial/ethnic backgrounds other than White/Caucasian, were purposively recruited to participate in semi‐structured phone interviews. Questions explored participant perceptions of how their supervisors approached racial/ethnic differences in supervision, effects on those supervisory relationships, and influences of their experiences as students on their current supervision practice. Thematic analysis revealed four major themes, with most participants agreeing that (1) recognition of race/ethnicity in supervision was limited as a student and in their current supervision practices; (2) supervisors vary in their comfort discussing race/ethnicity; (3) prior student supervision experiences of racial/ethnic differences have limited effects on current supervision practice; and (4) supervisors desire more training in how to approach conversations around race/ethnicity. Further professional discussions about the role of race/ethnicity in the supervisory relationship and training in addressing the cultural context in supervision are needed.
Characterizing winter season severity in the Midwest United States, part II: Interannual variability
Authors: Budikova Dagmar , Ford Trent W. , Wright Jefferson D. 
Published: October 2021

AbstractThe Accumulated Winter Season Severity Index (AWSSI) describes the “harshness” of the cold season. This work utilizes AWSSI to explore the interannual teleconnective influences that shaped winter severity between 1951 and 2020 across the Midwest U.S. Annual AWSSI total variability clusters into four distinct geographic areas, each shaped by different teleconnective influences. The regions are closely delineated by the main river basins and include the Ohio (Region 1), upper Mississippi and Missouri (Region 2), central Mississippi and southern Missouri (Region 3), and the Great Lakes (Region 4). Of outmost influence in shaping severe winters across the Midwest have been synoptic flow modifications associated with significant meandering and southern displacement of the Polar jet over the conterminous United States and/or the Midwest that depress near‐surface air temperatures and increase the likelihood of snow fall and/or snow depth. These flows are most closely related to the combined influence of the negative (positive) phases of the NAO (PNA and PDO) in Region 1, PNA− in Region 2, NAO− in Region 3, and the negative (positive) phase of the PNA (TNH) across Region 4. Mild winters have been shaped by more zonal flows with the Polar jet positioned north of the Midwest and bringing milder temperatures, less snowfall, and reduced winter severity to the impacted areas. Such modifications have been related to TNH−, PNA+, and NAO+ across Regions 1, 2, and 3, respectively. Mild winters have been shaped by TNH− and to a limited extent NAO+, across Region 4.
Anharmonic effects on Vibrational circular dichroism and Raman optical activity spectra of medium‐size molecules: Alpha‐pinene and beta‐pinene
Authors: Ziadi Kamal 
Published: October 2021

AbstractAn analysis of the vibrational circular dichoism (VCD) and Raman optical activity (ROA) of two medium‐sized molecules, alpha‐pinene and beta‐pinene, was performed using the second‐order perturbative PT2 method. We calculated the intensity (I in
) using the differential cross section. We reproduce mid‐IR spectra by generalized vibrational PT2 (GVPT2), where the GVPT2 approach has been applied to calculate both vibrational band wavenumbers and intensities to determine anharmonic effects on the spectral shape, adding combination bands to fundamental transition bands. Furthermore, the comparison with experimental spectra for both the band positions and the intensity pattern, our calculation, was evaluated.
The impact of hospital volume on racial disparities in resected rectal cancer
Authors: Shannon Adrienne B. , Straker Richard J. , Keele Luke , Kelz Rachel R. , Fraker Douglas L. , Roses Robert E. , Miura John T. , Karakousis Giorgos C. 
Published: October 2021

AbstractBackgroundAlthough high volume centers (HVC) equate to improved outcomes in rectal cancer, the impact of surgical volume related to race is less defined.MethodsPatients who underwent surgical resection for stage I–III rectal adenocarcinoma were divided into cohorts based on race and hospital surgical volume. Outcomes were analyzed following 1:1 propensity‐score matching using logistic, Poisson, and Cox regression analyses with marginal effects.ResultsFifty‐four thousand one hundred and eighty‐four (91.5%) non‐Black and 5043 (8.5%) Black patients underwent resection of rectal cancer. Following 1:1 matching of non‐Black (N = 5026) and Black patients, 5‐year overall survival (OS) of Black patients was worse (72% vs. 74.4%, average marginal effects [AME] 0.66, p = 0.04) than non‐Black patients. When compared to non‐Black patients managed at HVCs, Black patients had worse OS (70.1% vs. 74.7%, AME 1.55, p = 0.03), but this difference was not significant when comparing OS between non‐Black and Black patients managed at HVCs (72.3% vs. 74.7%, AME 0.62, p = 0.06). Length of stay was longer among Black and HVC patients across all cohorts. There was no difference across cohorts in 90‐day mortality.ConclusionsAlthough racial disparities exist in rectal cancer, this disparity appears to be ameliorated when patients are managed at HVCs.
Evolution of Voice Quality in Type 1–2 Transoral CO2 Laser Cordectomy: A Prospective Comparative Study
Authors: Lechien Jerome R. , Crevier‐Buchman Lise , Circiu Marta P. , Lisan Quentin , Hans Stephane 
Published: October 2021

AbstractObjectives/HypothesisTo compare the 12‐month evolution of voice quality outcomes in patients who benefited from types 1–2 transoral CO2 laser cordectomy (TLC) for an early‐stage vocal fold squamous cell carcinoma (VFSCC).Study DesignProspective uncontrolled study.MethodsSixty patients with cT1 VFSCC were consecutively recruited from a single medical center. Thirty patients benefited from type 1 TLC, while type 2 TCL was performed in 30 patients. The following voice quality outcomes were evaluated at baseline, 3‐, 6‐, and 12‐month post‐TLC: voice handicap index (VHI), GRBAS, speech rate, maximum phonation time (MPT), and acoustic parameters. Voice quality evolution was compared between type 1 and type 2 TLC.ResultsFifty‐seven patients completed the evaluations. Type 1 TLC patients reported significant improvements of VHI, grade of dysphonia, and breathiness at 3‐, 6‐, and 12‐month post‐TLC. Speech rate and jitter values improved 6‐ and 12‐month post‐TLC. A few voice quality outcomes reported 3‐ or 6‐month post‐TLC improvements in type 2 TLC group, while VHI, grade of dysphonia improved at 6‐ and 12‐month post‐TLC. MPT significantly decreased at 6‐ and 12‐month post‐TLC, while there were no acoustic measurement changes in type 2 TLC.ConclusionsThe effect of TLC on voice quality may depend on the type of TLC. Type 1 TLC was associated with faster voice quality improvements compared with type 2 TLC. VHI and dysphonia grade were identified as the most relevant tool of voice changes irrespective to the TLC type.Level of Evidence3 Laryngoscope, 132:1421–1426, 2022
Development of a novel screening tool for predicting Cochlear implant candidacy
Authors: Ngombu Stephany J. , Ray Christin , Vasil Kara , Moberly Aaron C. , Varadarajan Varun V. 
Published: October 2021

AbstractObjectivesCochlear implantation (CI) is a well‐established treatment for sensorineural hearing loss. Due in part to a lack of referral guidelines, CI technology remains underutilized, and many patients who could benefit from CI may not be referred for evaluation. This study aimed to develop a model for predicting CI candidacy using routine audiometric measures, with the goal of providing guidance to clinicians regarding when to refer a patient for CI evaluation.MethodsUnaided three‐frequency pure tone average (PTA), unaided speech discrimination score (SDS), and best‐aided sentence recognition testing with AZBio sentence lists were collected from 252 subjects undergoing CIE. Candidacy was defined by meeting traditional (AZBio score ≤ 60%), or Medicare criteria (≤40%). A logistic regression model was developed to predict candidacy. Confusion matrices were plotted to determine the sensitivity and specificity at various probability thresholds.ResultsLogistic regression models were capable of predicting probability of candidacy for traditional criteria (P < .001) and Medicare criteria (P < .001). PTA and SDS were significant predictors (P < .001). Using a probability cutoff of .5, the models yielded a sensitivity rate of 91% and 78% for traditional and Medicare criteria, respectively.ConclusionProbability of CI candidacy may be determined using a novel screening tool for referral. This tool supports individualized counseling, serves as a proof of concept for candidacy prediction, and could be modified based on an institution's philosophy regarding an acceptable false positive rate of referral.Level of Evidence4.
Linear and Ring Polymer Brushes: A Density Functional Theory Study
Authors: Egorov Sergei A. 
Published: October 2021

AbstractMonomer resolved density functional theory is employed to study structural properties and interactions between polymer‐grafted flat walls. Both linear and ring polymer brushes are considered. The three major control parameters are the grafting density, the grafted chain length, and temperature. The effect of these parameters on the brush–brush overlap and attractive interaction strength is analyzed. It is found that ring brushes provide better steric stabilization compared to their linear counterparts, in agreement with available experimental and simulation data.