bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dual Layer Hollow Fiber Membranes with Functionalized Separation Layer for Improved Hydrophilicity
Authors: Grünig Lara Elena , Handge Ulrich Alexander , Koll Joachim , Gronwald Oliver , Weber Martin , Hankiewicz Birgit , Scharnagl Nico , Abetz Volker 
Published: July 2021

AbstractPolyethersulfonbasierte Hohlfasermembranen mit einer hydrophil funktionalisierten Trennschicht wurden hergestellt und untersucht. In die Trennschicht wurde ein amphiphiles Triblockcopolymer mit verschiedenen Konzentrationen integriert. Um eine gesteigerte Hydrophilie und damit assoziiertes verringertes Fouling zu erreichen, bestehen die Blockcopolymere aus zwei äußeren Poly(ethylenoxid)‐Blöcken. Diese flankieren den inneren Polyethersulfonblock, welcher der Verankerung des Additivs in die Membran dient. Gesteigerte Hydrophilie, gepaart mit Permeanzen von 2000 L m−2h−1bar−1 und einem Rückhalt von 100 kDa, kennzeichnete die vielversprechendste Membran dieser Studie.
Chirogenesis in Zinc Porphyrins: Theoretical Evaluation of Electronic Transitions, Controlling Structural Factors and Axial Ligation
Authors: Osadchuk Irina , Aav Riina , Borovkov Victor , Clot Eric 
Published: July 2021

AbstractIn the present work, sixteen different zinc porphyrins (possessing different meso substituents) with and without a chiral guest were modelled using DFT and TD‐DFT approaches in order to understand the influence of various controlling factors on electronic circular dichroism (ECD) spectra. Two major aspects are influenced by these factors: excitation energy of the electronic transitions and their intensity. In the case of excitation energy, the influence increases in the following order: orientation of the peripheral substituents<substituent's nature<axial ligation. However, the deformation of the porphyrin plane does not affect the excitation energies. In the case of intensity, the influence increases as follows: substituent's nature<conrotatory orientation of the peripheral substituents<deformation of the porphyrin plane<disrotatory orientation of the peripheral substituents<axial ligation.
A Highly‐Efficient Oxygen Evolution Electrocatalyst Derived from a Metal‐Organic Framework and Ketjenblack Carbon Material
Authors: Öztürk Seçil , Moon Gun‐hee , Spieß Alex , Budiyanto Eko , Roitsch Stefan , Tüysüz Harun , Janiak Christoph 
Published: July 2021

AbstractThe composite of the metal‐organic framework (MOF) Ni(Fe)‐MOF‐74 and the highly conductive carbon material ketjenblack (KB) could be easily obtained from the in‐situ MOF synthesis in a one‐step solvothermal reaction. The composite material features a remarkable electrochemical oxygen evolution reaction (OER) performance where the overpotential at 10 mA/cm2 and the current density at 1.7 VRHE are recorded as 0.274 VRHE and 650 mA/cm2, respectively, in 1 mol/L KOH. In particular, the activation of nickel‐iron clusters from the MOF under an applied anodic bias steadily boosts the OER performance. Although Ni(Fe)‐MOF‐74 goes through some structural modification during the electrochemical measurements, the stabilized and optimized composite material shows excellent OER performance. This simple strategy to design highly‐efficient electrocatalysts, utilizing readily available precursors and carbon materials, will leverage the use of diverse metal‐organic complexes into electrode fabrication with a high energy conversion efficiency.
An Argument for Reinterpreting the Benign Behavioral Intervention Exemption
Authors: Tully Ian 
Published: July 2021

AbstractRecent changes to the Common Rule have helped reduce regulatory burden on researchers conducting minimal risk research. However, in this paper, I propose a way of minimizing burden further within the existing confines of the current regulations. I focus my discussion on the newly created “benign behavioral interventions” category of exempt research, arguing that this exemption from the federal regulations governing research with human subjects should be more expansively interpreted by the Secretary's Advisory Committee on Human Research Protections (SACHRP) than is currently the case. Specifically, I argue against the restriction, advocated by SACHRP, that the exemption exclude “physical (bodily) tasks” unless they are “incidental to the behavioral intervention.” This restriction, I argue, is problematically vague and does no significant moral work. Acceptance of my proposed reinterpretation of “benign behavioral interventions” would, I hope, result in a significant reduction in regulatory burden for minimal risk research.
The Inevitability and Ethics of Inaccurate Screening in Clinical Trials: A Call for Research and Guidance
Authors: Wendler David 
Published: July 2021

AbstractAccurate screening of potential research participants is vital to ensuring the scientific, regulatory, and ethical appropriateness of clinical trials. Yet there are no definitive screening tests for many conditions, and many screening tests, even when implemented correctly, yield some inaccurate results. Sponsors, researchers, and review committees thus routinely face the question of when it is acceptable to approve and conduct clinical trials that rely on screening measures that are known to exclude some eligible individuals and to include some ineligible ones. This article calls attention to and proposes preliminary guidance to address this important issue.
Sensitive, Accurate and Selective Determination of Cd(II) Using Anodic Stripping Voltammetry with in‐situ Hg‐Bi Film Modified Pencil Graphite Electrode After Magnetic Dispersive Solid Phase Microextraction
Authors: Yaman Burcu , Zaman Buse Tuğba , Bakırdere Sezgin , Dilgin Yusuf 
Published: July 2021

AbstractThis paper describes a novel approach to detect Cd(II) using the combination of the differential pulse anodic stripping voltammetry and magnetic nanoparticle based dispersive solid phase microextraction as an efficient, green and accurate method. Currents of Cd(II) increased linearly in the range from 75 to 2000 ng L−1 Cd(II) with a detection limit of 21.6 ng L−1. The RSD values of 2.6 and 6.0 % for 1.00 and 0.10 μg L−1 respectively showed that proposed method has an acceptable repeatability. Recovery values between 92.3 and 98.6 % showed that this approach can be successfully used for determination of Cd(II) in water samples.
Loneliness mediates the relationships between perceived neighborhood characteristics and cognition in middle‐aged and older adults
Authors: Yu Xiaohui , Yang Jiulong , Yin Zhenhua , Jiang Wenjie , Zhang Dongfeng 
Published: July 2021

AbstractObjectivesWe aimed to examine whether loneliness mediates these associations between perceived neighborhood characteristics and cognition among middle‐aged and older adults.MethodsData from wave 10 (2010–2012) to wave 13 (2016–2017) of the Health and Retirement Study were analyzed. Perceived neighborhood characteristics were self‐reported. Loneliness was measured by Revised University of California Los Angeles (R‐UCLA) Loneliness Scale. Cognition was evaluated by the modified version of Telephone Interview for Cognitive Status. Baron and Kenny’s causal steps and multiple linear regression models based on Karlson/Holm/Breen (KHB) method were used to examine the mediating effect.ResultsAt baseline, 15,142 participants had no cognitive impairment, and 11,413 individuals were finally included in our analysis after 6‐year follow‐up. Multiple linear regression models suggested that lower perceived neighborhood physical disorder (β = 0.073, p = 0.033) and greater perceived neighborhood safety (β = 0.350, p = 0.009) were associated with better cognition. KHB test identified the significant mediating effect of loneliness on the relationships between perceived neighborhood physical disorder (β = 0.011, p = 0.016) and perceived neighborhood safety (β = 0.023, p = 0.026) and cognition.ConclusionsPerceived neighborhood characteristics are associated with cognition among middle‐aged and older American adults. Loneliness mediated associations between perceived neighborhood physical disorder and perceived neighborhood safety and cognition.
Re‐evaluating expanding intravenous catheters in medical practice
Authors: Vazquez Rigoberto , Tennankore Rishabh , Shikanov Ariella , Mermel Leonard A. , Love Brian , Burns Michael L. 
Published: July 2021

AbstractBackgroundIntravenous catheters are common and essential devices within medical practice. Their placement can be difficult, leading to application of several technologies to improve success. Functionally expanding catheters were once an exciting technology, derailed clinically by hypersensitivity reactions. The exact cause of reactions, attributed to Aquavene catheter materials, remains unknown.AimsTo reinvestigate functionally expanding intravenous catheters.Materials and MethodsThe history of the functionally expanding intravenous catheter is presented here along with its utility in current medical practice, potential for further investigation, and possible redesign of these once promising devices.ResultsThis review demonstrates clinical utility and a lack of definitive cause for failure of the previous functionally expanding intravenous catheter design. As Aquavene materials themselves are commonly considered the cause of hypersensitivity reactions which removed expanding intravenous catheters from the market, this review found several possible substitutes for this material for use in any redesign.Discussion and ConclusionThe functionally expanding intravenous catheter failed due to hypersensitivity reactions in patients. Alternative materials exist for a possible redesign on this once promising clinical product.
Axillary response according to neoadjuvant single or dual human epidermal growth factor receptor 2 (HER2) blockade in clinically node‐positive, HER2‐positive breast cancer
Authors: Cha Chihwan , Ahn Sung Gwe , Kim Dooreh , Lee Janghee , Park Soeun , Bae Soong June , Kim Jee Ye , Park Hyung Seok , Park Seho , Kim Seung Il , Park Byeong‐Woo , Jeong Joon 
Published: July 2021

AbstractIncorporating dual human epidermal growth factor receptor 2 (HER2) blockade into neoadjuvant systemic therapy (NST) led to higher response in patients with HER2‐positive breast cancer. However, axillary response to treatment regimens, including single or dual HER2 blockade, in patients with clinically node‐positive breast cancer remains uncertain. Our study aimed to examine the pathologic axillary response according to the type of NST, that is, single or dual HER2 blockade. In our study, 546 patients with clinically node‐positive, HER2‐positive breast cancer who received NST followed by axillary surgery were retrospectively selected and divided into three groups: chemotherapy alone, chemotherapy + trastuzumab and chemotherapy + trastuzumab with pertuzumab. The primary outcome was the axillary pathologic complete response (pCR). Among 471 patients undergoing axillary lymph node dissection, the axillary pCR rates were 43.5%, 74.5% and 68.8% in patients who received chemotherapy alone, chemotherapy + trastuzumab and chemotherapy + trastuzumab with pertuzumab, respectively. There was no difference in axillary pCR rates between patients who received single or dual HER2 blockade (P = .379). Among patients receiving chemotherapy + trastuzumab, patients without breast pCR had the greatest risk for residual axillary metastases (relative risk, 9.8; 95% confidence interval, 3.2‐14.9; P < .0001). In conclusion, adding trastuzumab to chemotherapy increased the axillary pCR rate in patients with clinically node‐positive, HER2‐positive breast cancer; furthermore, dual HER2‐blockade with trastuzumab and pertuzumab did not elevate the axillary response compared with trastuzumab alone. Breast pCR could be a strong predictor for axillary pCR in clinically node‐positive patients treated with HER2‐targeting therapy.
Factors associated with missing strings and expulsion after postplacental insertion of copper T380A intrauterine devices
Authors: da Silva Nóbrega Aureliana Barboza , Pitangui Ana Carolina Rodarti , Vieira Carolina Sales 
Published: July 2021

AbstractObjectiveTo identify clinical and demographic factors associated with missing strings and expulsion after postplacental insertion of copper T380A intrauterine devices (TCu380A IUD).MethodsThis is a secondary analysis of an implementation study. We followed participants who had a postplacental TCu380A IUD insertion, at two postpartum visits: 45–90 days (visit 1) and 6–9 months (visit 2). We used multiple log‐binomial regression models to evaluate the demographic and clinical variables associated with missing strings and with IUD expulsion.ResultsWe included 705 participants who had a postplacental IUD insertion. We observed missing strings in 275 (47.9%) participants at visit 1, and in 127 (34.2%) participants at visit 2. We identified 61 expulsions (8.9%) by visit 2. In the multiple regression models, only the delivery type was associated with missing strings and expulsion. Compared with vaginal delivery, cesarean delivery increased the risk of missing strings (adjusted relative risk [aRR] 6.21; 95% confidence interval [CI] 4.29–8.99) but reduced the risk of IUD expulsion (aRR 0.24; 95% CI 0.13–0.43).ConclusionThe delivery mode was the only factor associated with missing strings and expulsion after postplacental IUD insertion. Cesarean section was associated with an increased risk of missing strings but decreased risk of expulsion after postplacental TCu380A IUD insertion.
PyUNIxMD: A Python‐based excited state molecular dynamics package
Authors: Lee In Seong , Ha Jong‐Kwon , Han Daeho , Kim Tae In , Moon Sung Wook , Min Seung Kyu 
Published: July 2021

AbstractTheoretical/computational description of excited state molecular dynamics is nowadays a crucial tool for understanding light‐matter interactions in many materials. Here we present an open‐source Python‐based nonadiabatic molecular dynamics program package, namely PyUNIxMD, to deal with mixed quantum‐classical dynamics for correlated electron‐nuclear propagation. The PyUNIxMD provides many interfaces for quantum chemical calculation methods with commercial and noncommercial ab initio and semiempirical quantum chemistry programs. In addition, the PyUNIxMD offers many nonadiabatic molecular dynamics algorithms such as fewest‐switch surface hopping and its derivatives as well as decoherence‐induced surface hopping based on the exact factorization (DISH‐XF) and coupled‐trajectory mixed quantum‐classical dynamics (CTMQC) for general purposes. Detailed structures and flows of PyUNIxMD are explained for the further implementations by developers. We perform a nonadiabatic molecular dynamics simulation for a molecular motor system as a simple demonstration.
Identification of the most indicative and discriminative features from diagnostic instruments for children with autism
Authors: Stroth Sanna , Tauscher Johannes , Wolff Nicole , Küpper Charlotte , Poustka Luise , Roepke Stefan , Roessner Veit , Heider Dominik , Kamp‐Becker Inge 
Published: July 2021

AbstractBackgroundDiagnosing autism spectrum disorder (ASD) is complex and time‐consuming. The present work systematically examines the importance of items from the Autism Diagnostic Interview‐Revised (ADI‐R) and Autism Diagnostic Observation Schedule (ADOS) in discerning children with and without ASD. Knowledge of the most discriminative features and their underlying concepts may prove valuable for the future training tools that assist clinicians to substantiate or extenuate a suspicion of ASD in nonverbal and minimally verbal children.MethodsIn two samples of nonverbal (N = 466) and minimally verbal (N = 566) children with ASD (N = 509) and other mental disorders or developmental delays (N = 523), we applied random forests (RFs) to (i) the combination of ADI‐R and ADOS data versus (ii) ADOS data alone. We compared the predictive performance of reduced feature models against outcomes provided by models containing all features.ResultsFor nonverbal children, the RF classifier indicated social orientation to be most powerful in differentiating ASD from non‐ASD cases. In minimally verbal children, we find language/speech peculiarities in combination with facial/nonverbal expressions and reciprocity to be most distinctive.ConclusionBased on machine learning strategies, we carve out those symptoms of ASD that prove to be central for the differentiation of ASD cases from those with other developmental or mental disorders (high specificity in minimally verbal children). These core concepts ought to be considered in the future training tools for clinicians.
Smartphones addiction associated with academic achievement among dental students: A cross‐sectional study
Authors: Mafla Ana C. , Herrera‐López Harvey M. , Eraso Thanya Fernanda , Melo Marilyn Alexandra , Muñoz Natalia , Schwendicke Falk 
Published: July 2021

AbstractPurposeThe study sought to examine the association between dental students’ smartphone addiction and academic achievement.MethodsStudy participants were 374 dental students from the Universidad Cooperativa de Colombia school of dentistry. Smartphone addiction was assessed using the short version of the Smartphone Addiction Scale (SAS‐SV), an instrument that was validated a priori using item response theory, information function test, and confirmatory factor analysis. Students’ semester grade point average (GPA) served as a measure of academic performance. The association between SAS‐SV scores and GPA was tested using generalized linear modeling adjusting for covariates.ResultsThe prevalence of smartphone addiction was low (4.8%) in this sample of dental students. Smartphone use was significantly and positively associated with GPA (b = 0.012; 95% confidence interval = 0.005–0.020; P = 0.001) while accounting for students’ age and year of study.ConclusionsSmartphone usage was positively associated with dental students’ academic performance. Importantly, a small number of students were identified as suffering from smartphone addiction. Future research should help clarify the mechanisms underlying this association, identify students at risk for smartphone addiction, and further elucidate the relevance of these findings in dental education.
Evaluation of the protective effect on enamel demineralization of CPP‐ACP paste and ROCS by vibrational spectroscopy and SAXS: An in vitro study
Authors: Akgun Ozlem Marti , Haman Bayari Sevgi , Ide Semra , Guven Polat Gunseli , Yildirim Ceren , Orujalipoor Ilgar 
Published: July 2021

AbstractThe aim of this study was to investigate human dental enamel surfaces using attenuated total reflectance Fourier transform infrared spectroscopy (ATR‐FTIR), Raman spectroscopy, and small angle X‐ray scattering (SAXS) techniques concerning differences between the demineralized enamel surface and remineralized enamel surface by casein phosphopeptide amorphous calcium phosphate, Tooth mousse® (CPP‐ACP) and remineralizing oral care systems (ROCS®) agents within the same tooth. For this purpose, 20 freshly extracted human maxillary central incisors without caries and defects were used. Labial surfaces of each of the teeth were divided into four sections, which were marked as follows: Group 1, normal enamel; Group 2, demineralized enamel with demineralization solution; Group 3, demineralized enamel + remineralization agent (ROCS for 10 teeth, CPP‐ACP for 10 teeth); and Group 4, remineralization agent (ROCS for 10 teeth, CPP‐ACP for 10 teeth). To describe the changes in tooth enamel, the phosphate group concentration within enamel was used as an indicator of the degree of mineralization. The phosphate and carbonate bands in the FTIR and Raman spectra were used to investigate the structural changes in the demineralized and remineralized enamel. Spectroscopic data were statistically analyzed in terms of CPP‐ACP and ROCS using one‐way analysis of variance. The carbonate content of demineralized enamel was higher than the carbonate content in the other groups (p < .03). The apatite carbonate‐phosphate balance in the samples with only remineralizing agent—especially ROCS applied—changed significantly (p < .05) compared to the normal group. The average FTIR spectra of the groups were subjected to multivariate hierarchical cluster analysis (HCA) conducted with the use of the OPUS 5.5 software. Nanosized surface morphologies of the samples were compared using pair distance distributions obtained through SAXS analyses. According to the SAXS analyses, applications of CCP + ACP and ROCS agents were effective on nanostructures for all groups.
Association between cycle threshold (Ct) values and clinical and laboratory data in inpatients with COVID‐19 and asymptomatic health workers
Authors: Ramirez‐Hinojosa Juan Pablo , Rodriguez‐Sanchez Yunuen , Romero‐Gonzalez Angel Kaleb , Chavez‐Gutierrez Marisol , Gonzalez‐Arenas Nelly Raquel , Ibarra‐Arce Aurora , Arroyo‐Escalante Sara , Zavaleta‐Villa Beatriz , Leon‐Juarez Moises , Cruz‐Holguin Victor Javier , Espinosa de los Monteros‐Perez Luz Elena , Olivo‐Diaz Angelica , Hernandez‐Castro Rigoberto , Suarez‐Roa Lourdes , Prado‐Calleros Hector , Sierra‐Martinez Octavio , Avila‐Ramirez Guillermina , Flisser Ana , Maravilla Pablo , Romero‐Valdovinos Mirza 
Published: July 2021

AbstractIn‐house assays for the diagnosis of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) by quantitative reverse‐transcription polymerase chain reaction (qRT‐PCR), are feasible alternatives, particularly in developing countries. Cycle threshold (Ct) values obtained by qRT‐PCR were compared with clinical and laboratory data from saliva of inpatients with COVID‐19 and asymptomatic health workers (AHW) were studied. Saliva specimens from 58 inpatients confirmed by qRT‐PCR for SARS‐CoV‐2 using nasopharyngeal specimens, and 105 AHW were studied by qRT‐PCR using three sets of primers for the N (N1, N2, and N3) gene of SARS‐CoV‐2, according to the CDC Diagnostic Panel protocol, showing a positivity of 88% for inpatients and 8% for AHW. Bivariate analysis revealed an association between Ct < 38.0 values for N2 and mechanical ventilation assistance among patients (p = .013). In addition, values of aspartate‐transaminase, lactate dehydrogenase, and ferritin showed significant correlations with Ct values of N1 and N3 genes in inpatients. Therefore, our results show that Ct values correlate with some relevant clinical data for inpatients with COVID‐19.