bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinesiophobia And Related Factors In Adult Patients With Familial
Mediterranean Fever
Authors: Saka Seda , Çetinkaya İrem , Günaydın Elif İrem , Çetinkaya Ayşenur , Yavuzer Melek Güneş 
Published: March 2023

Abstract
Objective Kinesiophobia is a common problem in patients with rheumatic
diseases and can cause physical inactivity, social isolation, disability, and
poor quality of life. This study aimed to evaluate kinesiophobia and associated
factors in patients with familial Mediterranean fever (FMF).
Methods A total of 38 patients diagnosed with FMF volunteered to
participate in the study. All patients were assessed using the Tampa
Kinesiophobia Scale (TKS), the International Physical Activity Questionnaire
(IPAQ), the Fatigue Severity Scale (FSS), and the Hospital Anxiety and
Depression Scale (HADS).
Results Thirty-three (86.8%) of the patients had TKS scores over
37, indicating high levels of kinesiophobia. The TKS score was positively
correlated with the HADS depression score (r=0.530; p=0.001) and
the FSS score (r=0.340; p=0.035) but was not significantly
associated with age (r=0.102; p=0.543), disease duration
(r=–0.110; p=0.511), body mass index (r=0.283;
p=0.085), the HADS anxiety score (r=0.306; p=0.061), or
the IPAQ score (r=–0.097; p=0.563).
Conclusions Our sample of adult FMF patients showed high levels of
kinesiophobia associated with fatigue and depression. Treatments focusing on
kinesiophobia in FMF patients could help to increase the effectiveness of
rehabilitation.
Identifying High-Need Primary Care Patients Using Nursing Knowledge and Machine Learning Methods
Authors: Hewner Sharon , Smith Erica , Sullivan Suzanne S. 
Published: March 2023

Abstract
Background Patient cohorts generated by machine learning can be enhanced with clinical knowledge to increase translational value and provide a practical approach to patient segmentation based on a mix of medical, behavioral, and social factors.
Objectives This study aimed to generate a pragmatic example of how machine learning could be used to quickly and meaningfully cohort patients using unsupervised classification methods. Additionally, to demonstrate increased translational value of machine learning models through the integration of nursing knowledge.
Methods A primary care practice dataset (N = 3,438) of high-need patients defined by practice criteria was parsed to a subset population of patients with diabetes (n = 1233). Three expert nurses selected variables for k-means cluster analysis using knowledge of critical factors for care coordination. Nursing knowledge was again applied to describe the psychosocial phenotypes in four prominent clusters, aligned with social and medical care plans.
Results Four distinct clusters interpreted and mapped to psychosocial need profiles, allowing for immediate translation to clinical practice through the creation of actionable social and medical care plans. (1) A large cluster of racially diverse female, non-English speakers with low medical complexity, and history of childhood illness; (2) a large cluster of English speakers with significant comorbidities (obesity and respiratory disease); (3) a small cluster of males with substance use disorder and significant comorbidities (mental health, liver and cardiovascular disease) who frequently visit the hospital; and (4) a moderate cluster of older, racially diverse patients with renal failure.
Conclusion This manuscript provides a practical method for analysis of primary care practice data using machine learning in tandem with expert clinical knowledge.
The Role of Postoperative Dressing in Hypospadias Surgery: A Systematic Review and Meta-analysis of the Pediatric Literature
Authors: Escolino Maria , Florio Luisa , Esposito Giovanni , Esposito Ciro 
Published: March 2023

AbstractThis study aimed to describe the available dressings and their management in patients undergoing hypospadias repair and compare postoperative outcomes with and without dressing and between the different dressing types. A comprehensive electronic literature search of PubMed, Embase, and Cochrane Library was conducted to obtain studies, published in the period 1990 to 2021, reporting on the dressing used following hypospadias surgery. All information regarding the dressing was considered as primary endpoints, whereas surgical outcomes were assessed as secondary outcomes. Thirty-one studies containing 1,790 subjects undergoing hypospadias repair were included. Dressings were divided into three categories: nonadherent to the wound, adherent to the wound, and glue-based dressings. Most authors preferred to remove/change the dressing in the ward and the median time of removal/change was 6.56 postoperative days. The dressing removal appeared as the most frequent factor generating parental anxiety. The median rate of wound-related complications was 8.18%, of urethroplasty complications 9.08% and of reoperations 8.18%. Meta-analysis of outcomes showed higher risk of reoperations using conventional dressing, with no differences in urethroplasty and wound-related complications rates between conventional and glue-based dressings. Furthermore, the use of dressing reported increased risk of wound-related complications compared with no dressing, without significant differences regarding occurrence of urethroplasty complications and reoperations. The current evidence confirmed that there is no difference in outcomes of hypospadias repair depending on a certain dressing type. To date, surgeon's preference remains the main factor determining the choice for a specific dressing or for no dressing at all.
Metal-Free Synthesis of Guanidines from Thioureas in Water Reactions Mediated by Visible Light
Authors: Wacharasindhu Sumrit , Annuur Rose Malina , Saetan Trin , Sukwattanasinitt Mongkol 
Published: March 2023

AbstractMetal-free synthesis of guanidines from thioureas under visible-light irradiation in water was successfully developed. Using 1–5 mol% of inexpensive and commercially available phenazine ethosulfate as a photocatalyst in the presence of 1 wt% cetyltrimethylammonium bromide (CTAB) as surfactant with K2CO3 as an additive base, transformations of a variety of thioureas into the corresponding guanidines under visible-light irradiation were achieved in moderate to high yields. The advantages of this reaction include the use of a metal-free photocatalyst, water as a nontoxic solvent, and ease of operating at room temperature in an open-flask manner.
C6–H Bond Functionalization of Indoles: A New Gate
Authors: Saracoglu Nurullah , Taskesenligil Yunus 
Published: March 2023

AbstractIndoles are valuable precursors in medicinal, bioorganic, and material chemistry and particularly serve as a platform for diversity. However, the scope of the C6-functionalization of indoles was limited until recently. In this short review, we summarize developments in the C6-functionalization reactions of indoles involving transition-metal-catalyzed functionalization and Brønsted and Lewis acid catalyzed processes. The regioselectivity is controlled by remote-C–H activation and hydrogen bond formation.1 Introduction2 Transition-Metal-Catalyzed Functionalization3 Acid-Catalyzed Processes4 Conclusion
Surgery for Otitis Media with Effusion: A Survey of Otolaryngologists Who Treat Children in Brazil
Authors: Nobrega Manoel de , Carvalho Daniela , Lubianca Neto José Faibes 
Published: March 2023

Abstract
Introduction Myringotomy and ear tube placement (MTP) is the surgical treatment for otitis media with effusion (OME), and it is the most common surgery performed in children. Several guidelines have been developed to assist in the care of patients who become candidates for MTP.
Objectives To evaluate the practice of Brazilian otorhinolarynogologists when performing MTP according to the years of clinical experience. Secondarily, we also want to assess if their practice regarding MTP varied according to the percentage of children treated and the location of their practice.
Methods A 30-question survey was sent to otolaryngologists affiliated with the Brazilian Academy of Pediatric Otorhinolaryngology (Academia Brasileira de Otorrinolaringologia Pediátrica, ABOPe, in Portuguese) and/or the Scientific Department of Otorhinolaryngology of the Brazilian Society of Pediatrics (Sociedade Brasileira de Pediatria, SBP, in Portuguese). The questions included were carefully chosen to provide a profile about the practices adopted in the pre-, peri- and postoperative periods of MTP.
Results The questionnaire was sent to 208 otolaryngologists, and there were 124 (59.6%) respondents. Of those, 59.7% use antiseptics before surgery. Only 54 otolaryngologists, less than half of the subjects in this study (43.5%), always place a tube during the procedure. More physicians who practice in small cities recommend water precautions after MTP when compared to other physicians (p < 0.001).
Conclusion The present study reveals that many respondents do not follow some of the recommendations of the current guidelines of the American Academy of Otolaryngology-Head and Neck Surgery (AAO-HNS) on OME, either perioperatively and postoperatively, or regarding the option of placing a ventilation tube. This part of the care also varied depending on the respondents' work location and experience in the medical practice.
Statin Treatment Is Associated with Alterations in the Platelet Lipidome
Authors: Harm Tobias , Frey Moritz , Dittrich Kristina , Goldschmied Andreas , Rohlfing Anne-Katrin , Fu Xiaoqing , Brun Adrian , Castor Tatsiana , Rath Dominik , Müller Karin , Lammerhofer Michael , Gawaz Meinrad 
Published: March 2023

Background Platelets are key players in the pathophysiology of coronary artery disease (CAD) and platelet hyperreactivity leads to increased risk of developing adverse cardiovascular events. Further, significant changes in the platelet lipidome occur in patients with acute coronary syndrome (ACS) and critically regulated lipids lead to platelet hyperresponsiveness. Statin treatment is crucial in the treatment and prevention of patients with CAD by remodeling lipid metabolism.
Objective In this study, we investigate the platelet lipidome of CAD patients by untargeted lipidomics, highlighting significant changes between statin-treated and naïve patients.
Methods We characterized the platelet lipidome in a CAD cohort (n = 105) by an untargeted lipidomics approach using liquid chromatography coupled to mass spectrometry.
Results Among the annotated lipids, 41 lipids were significantly upregulated in statin-treated patients, whereas 6 lipids were downregulated compared to naïve patients. The most prominent upregulated lipids in statin-treated patients belong to the class of triglycerides, cholesteryl esters, palmitic acid, and oxidized phospholipids, whereas mainly glycerophospholipids were downregulated compared to untreated patients. A more pronounced effect of statin treatment on the platelet lipidome was observed in ACS patients. We further highlight a dose-dependent influence on the platelet lipidome.
Conclusion Our results reveal that the platelet lipidome is altered in CAD patients with statin treatment and upregulated lipids embody mainly characteristic triglycerides, whereas downregulated lipids mostly compromise glycerophospholipids, which may play a role in the pathophysiology of CAD. Results of this study may contribute to the understanding of statin treatment softening the lipid phenotype.
How not to respond to populism
Authors: Malkopoulou Anthoula , Moffitt Benjamin 
Published: March 2023

Abstract
Although the nature and definition of populism are a source of considerable disagreement, there seems to be a minimal consensus by now that populism poses a number of threats to liberal democracy, and that public authorities should therefore act in defence of the latter. In searching for appropriate responses, however, most scholars draw from strategies for combatting anti-democratic or extremist parties, without considering the important differences between populist parties and these other political actors. We argue that the two central types of democratic defence—the ‘intolerant’ militant democratic defence and the ‘tolerant’ defence—do not offer satisfying responses to populist parties precisely because they were conceived and developed as responses to different phenomena. For public authorities to successfully address populism, responses need to contain its most egregious characteristics, yet salvage its productive side.
Multicomponent wavefunction-in-DFT embedding for positronium molecules
Authors: Moncada Félix , Reyes Andrés 
Published: March 2023

This work presents an extension of the projector operator embedding scheme of Manby et al. [J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a molecular system containing electrons and other types of quantum species is divided into a wavefunction (WF) subsystem of interest and a density functional theory (DFT) environment. The WF-in-DFT partition decreases computational costs by partially truncating the WF subsystem basis set at the cost of introducing a controllable embedding error. To explore the applicability of the MC extension, third-order propagator-in-DFT calculations were performed for positron–anion complexes for alkoxides and carboxylates with carbon chains of different sizes. For these systems, it was found that selecting a WF subsystem with the positron and only the oxygen atoms caused an error of 0.1 eV or lower in positron-binding energies, while reducing between 33% and 55% the basis set size. The reduction of computational costs achieved with the embedding scheme allowed us to improve molecular positron-binding energy predictions by performing complete basis set limit extrapolations. Combining the WF-in-DFT embedding and the complete basis set extrapolation, positronium aliphatic alkoxides were predicted to be energetically stable by 0.3 eV with respect to Ps emission. Similarly, positronium carboxylates, both aromatic and aliphatic, were predicted to be stable by 1.3 eV.
The kinetics of the PuO2 to Pu2O3 conversion
Authors: Dinh L. N. , Donald S. B. , Stanford J. A. , Saw C. K. , Gollott R. , Haschke J. M. , McLean W. 
Published: March 2023

In an oxidizing environment, the oxide formed on plutonium (Pu) metal is composed of a plutonium dioxide (PuO2) top layer and a thin cubic plutonium sesquioxide (Pu2O3) middle layer. In a reducing environment, the PuO2 layer auto-reduces to cubic Pu2O3. The speed and extent of this conversion depend on the combination of temperature and time. While PuO2 provides a strong diffusion barrier against unwanted Pu corrosion by gaseous species (like hydrogen), Pu2O3 does not, since its crystal structure has chains of oxygen vacancies. The kinetics of the PuO2 reduction are, therefore, of fundamental interest and enable researchers to better protect Pu from corrosion. In this report, the oxygen-diffusion-limited kinetics of the dioxide to sesquioxide conversion were obtained by dynamically heating a PuO2-covered Pu sample from 294 to 418 K in a high-vacuum vessel equipped with an in situ spectroscopic ellipsometer. The physical/chemical constraints in the conversion process were combined with the ellipsometry method of multi-sample analysis to track the percentage of PuO2 and to compute the extent of Pu2O3 formation. The resulting diffusion coefficients were compared against and then combined with complementary literature data to produce a comprehensive set of kinetic parameters for reliably modeling oxide conversion over a larger temperature range than spanned by prior studies. The extracted thermal activation energy barrier (43.7 kJ/mol) and pre-exponential factor (5.0 × 10−10 cm2/s) for the oxygen-diffusion-limited process can be used to accurately model the PuO2 to Pu2O3 transformation in vacuum and/or inert gas applications.
Toward new tools for biodiversity studies: the use of portable near-infrared spectroscopy combined with machine learning to identify species of Decapoda
Authors: Carvalho Fabrício Lopes , Novais Wendel Resende Ramos , Soares-Silva Ana Carla , Flores Douglas William Menezes , Magalhães Robson da Silva 
Published: March 2023

Context Accuracy in species identification is a crucial factor for the quality of biodiversity studies and species management. Ensuring high accuracy is challenging for diverse taxonomic groups, including those with fishery importance such as Decapoda. Aims The objective of the present study was to use portable near-infrared spectroscopy combined with machine learning through a neural network (ANN) to identify species of Decapoda. Methods We propose an ANN application that rapidly and accurately emulates the results that would be obtained by a specialist. We used 124 specimens from seven marine Decapoda species as a dataset to fit the model. Key results The ANN was able to correctly learn (classify) all the patterns of the species (100% accuracy), with an overall mean probability of 0.97 ± 0.068. Conclusions The results obtained using portable near-infrared spectroscopy combined with machine learning (ANN) demonstrated that this method can be used with high accuracy to distinguish Decapoda species. Implications Studies aiming at comparisons among species may consider the use of this technique for the precise and inexpensive separation among species by non-specialists or for species that require the identification of a large number of individuals.
Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B
12
repair
Authors: Gouda Harsha , Mascarenhas Romila , Ruetz Markus , Yaw Madeline , Banerjee Ruma 
Published: March 2023

Control over transition metal redox state is essential for metalloprotein function and can be achieved via coordination chemistry and/or sequestration from bulk solvent. Human methylmalonyl-Coenzyme A (CoA) mutase (MCM) catalyzes the isomerization of methylmalonyl-CoA to succinyl-CoA using 5′-deoxyadenosylcobalamin (AdoCbl) as a metallocofactor. During catalysis, the occasional escape of the 5′-deoxyadenosine (dAdo) moiety leaves the cob(II)alamin intermediate stranded and prone to hyperoxidation to hydroxocobalamin, which is recalcitrant to repair. In this study, we have identified the use of bivalent molecular mimicry by ADP, coopting the 5′-deoxyadenosine and diphosphate moieties in the cofactor and substrate, respectively, to protect against cob(II)alamin overoxidation on MCM. Crystallographic and electron paramagnetic resonance (EPR) data reveal that ADP exerts control over the metal oxidation state by inducing a conformational change that seals off solvent access, rather than by switching five-coordinate cob(II)alamin to the more air stable four-coordinate state. Subsequent binding of methylmalonyl-CoA (or CoA) promotes cob(II)alamin off-loading from MCM to adenosyltransferase for repair. This study identifies an unconventional strategy for controlling metal redox state by an abundant metabolite to plug active site access, which is key to preserving and recycling a rare, but essential, metal cofactor.
Unequal-mass boson-star binaries: initial data and merger dynamics
Authors: Evstafyeva Tamara , Sperhake Ulrich , Helfer Thomas , Croft Robin , Radia Miren , Ge Bo-Xuan , Lim Eugene A 
Published: March 2023

AbstractWe present a generalisation of the curative initial data construction derived for equal-mass compact binaries in Helferet al(2019Phys. Rev.D99044046; 2022Class. Quantum Grav.39074001) to arbitrary mass ratios. We demonstrate how these improved initial data avoid substantial spurious artifacts in the collision dynamics of unequal-mass boson-star binaries in the same way as has previously been achieved with the simpler method restricted to the equal-mass case. We employ the improved initial data to explore in detail the impact of phase offsets in the coalescence of equal- and unequal-mass boson star binaries.
Energy dependence of the Rb 52S1/2–52P1/2 noble-gas collision shift
Authors: Kettering Hunter , Camparo James 
Published: March 2023

Abstract
For more than a century the study of optical-resonance collision shifts in thermal atomic vapors has provided a window into atom/atom and atom/molecule interactions at low energies (i.e. ∼30 meV). Overall, the agreement between theory and experiment has been good, suggesting that an understanding of these interactions at low energies is well in hand. Here, we present evidence that this is not the case. Using an isoclinic-point method we measure the energy dependence of the Rb D1 collision shift in the noble gases (NGs): He, Ne, Ar, Kr and Xe. While agreement between theory and experiment is quite good for the heavy NGs, it is quite poor for the lighter ones: He and Ne. In the case of Rb/He, not only are the theoretical values in gross disagreement with one another, but they are also in significant disagreement with experiment.
A methodology to generate crystal-based molecular structures for atomistic simulations
Authors: Negre Christian F A , Alvarado Andrew , Singh Himanshu , Finkelstein Joshua , Martinez Enrique , Perriot Romain 
Published: March 2023

Abstract
We propose a systematic method to construct crystal-based molecular structures often needed as input for computational chemistry studies. These structures include crystal ‘slabs’ with periodic boundary conditions (PBCs) and non-periodic solids such as Wulff structures. We also introduce a method to build crystal slabs with orthogonal PBC vectors. These methods are integrated into our code, Los Alamos Crystal Cut (LCC), which is open source and thus fully available to the community. Examples showing the use of these methods are given throughout the manuscript.
Ferromagnetic resonance excited by interfacial microwave electric field: the role of current-induced torques
Authors: Deka Angshuman , Rana Bivas , Otani YoshiChika , Fukuma Yasuhiro 
Published: March 2023

Abstract
Excitation of magnetization dynamics in magnetic materials, especially in ultrathin ferromagnetic films, is of utmost importance for developing various ultrafast spintronics devices. Recently, the excitation of magnetization dynamics, i.e. ferromagnetic resonance (FMR) via electric field-induced modulation of interfacial magnetic anisotropies, has received particular attention due to several advantages, including lower power consumption. However, several additional torques generated by unavoidable microwave current induced because of the capacitive nature of the junctions may also contribute to the excitation of FMR apart from electric field-induced torques. Here, we study the FMR signals excited by applying microwave signal across the metal-oxide junction in CoFeB/MgO heterostructures with Pt and Ta buffer layers. Analysis of the resonance line shape and angular dependent behavior of resonance amplitude revealed that apart from voltage-controlled in-plane magnetic anisotropy (VC-IMA) torque a significant contribution can also arises from spin-torques and Oersted field torques originating from the flow of microwave current through metal-oxide junction. Surprisingly, the overall contribution from spin-torques and Oersted field torques are comparable to the VC-IMA torque contribution, even for a device with negligible defects. This study will be beneficial for designing future electric field-controlled spintronics devices.
A reduced self-calibrating method for rotary table error motions
Authors: Keller F , Stein M 
Published: March 2023

Abstract
A novel method for the determination of rotary table errors with six degrees of freedom on coordinate measuring machines and machine tools is introduced. The method is based on the measurement of an uncalibrated circular ball plate in different rotational positions on the rotary table, which is also referred to as the three-rosette method. The novel procedure allows the number of measurement positions to be reduced significantly compared to the complete three-rosette method, while the measurement uncertainty still remains sufficiently small. The method relies on error separation and is self-calibrating, which means that no external reference is required. The sophisticated design of a new ball plate allows rotary table errors to be determined in angular steps of only 5∘.