bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrodiagnostic reporting preferences of referring physicians: An exploratory survey
Authors: Mun Kyung Joon , Farag Jordan , Robinson Lawrence R. 
Published: February 2024

AbstractIntroduction/AimsElectrodiagnostic (EDX) studies play a crucial role in the evaluation of patients with peripheral nervous system disorders. Accurate and succinct communication of test results is critical to patient safety and clinical decision‐making. The objective of this study was to explore EDX reporting preferences of referring physicians to improve quality of communication and patient care.MethodsAn online survey was developed, and a purposive sampling strategy was used to recruit physicians in the authors' professional networks. Quantitative and qualitative survey data underwent frequency and thematic analyses, respectively.ResultsThere were 40 respondents, including: 21 non‐surgical specialists, 12 surgical specialists, and 7 family physicians. Sections rated as most critical were diagnostic impression (97%) and summary/interpretation (72%). Only 18% reported numeric data as critical to their needs, preferring this data to be formatted as bullet points or tables without nerve conduction study waveforms. Regarding the format of the data summary and diagnostic impression sections, the majority of respondents preferred bullet points rather than paragraphs.DiscussionThe results of this exploratory survey suggest that physicians who refer patients for EDX studies prefer reports that emphasize the interpretation of EDX data and a clear diagnostic impression, particularly in bullet point format. This project highlights important preferences and how they compare to recommended reporting guidelines, which may help improve communication and ultimately patient care. Future efforts should explore larger sample sizes with all key stakeholders in the EDX process to better understand reporting styles and preferences with greater nuance and context.
Impact of fast charging station for electric vehicles with grid integration: Forensic‐based investigation and Archimedes optimization algorithm approach
Authors: Singh Abhishek Kumar , Kumar Ashwani 
Published: February 2024

AbstractThis manuscript proposes a novel technique for the precise model of electric vehicles (EVs) in the reliability and adequacy model of smart grids (SG). The proposed method combines forensic‐based investigation (FBI) and Archimedes optimization algorithm (AOA), named the FBIAOA technique. The objective of the proposed method is to rise the profit of fast charging stations and lessen the rising energy demand on the grid that is made up of storage systems and renewable energy generation (wind and PV). The demand for EVs and renewable generation is calculated using the FBI algorithm method. The growth of the proposed method is to examine the reliability of SG depending on the aggregation of the state matrices of EV stochastic parameters. The proposed method can help accelerate the reliability calculations by determining the desired count of EV states. The proposed strategy is run in MATLAB and is evaluated in its performance with existing methods. The proposed method gives a lower cost than the existing genetic algorithm, cuttlefish algorithm, and tunicate swarm algorithm methods.
Right Versus Left Cuff Position for Upper Airway Stimulation
Authors: Arambula Alexandra M. , Bon‐Nieves Antonio , Alapati Rahul , Wei Johnny , Wagoner Sarah , Lawrence Amelia , Renslo Bryan , Rouse David , Larsen Christopher 
Published: February 2024

AbstractObjectiveUpper airway stimulation (UAS) is a treatment option for obstructive sleep apnea in which electrical stimulation is applied to the hypoglossal nerve. Nerve branches that control tongue protrusion are located inferiorly. Due to positioning, left‐sided implants are typically placed with an inferiorly oriented electrode cuff (L‐down) as opposed to superiorly on the right (R‐up). In this study, we assess the impact of left‐ versus right‐sided UAS on patient outcomes.Study DesignRetrospective cohort study.SettingTertiary Academic Medical Center.MethodsPatients who underwent UAS implantation between 2016 and 2021 with an L‐down or R‐up oriented cuff as confirmed by X‐ray were included. Data were collected retrospectively. Most recent sleep study variables were used for analysis.ResultsA total of 190 patients met the inclusion criteria. The average age was 61.0 ± 11.0 years, with 55 (28.9%) females. L‐down orientation was present in 21 (11.1%) patients vs 169 (88.9%) R‐up. Indications for L‐down included hunting/shooting (n = 15), prior radiation/surgery (n = 4), central port (n = 1), and brachial plexus injury (n = 1). Adherence was higher among L‐down patients (47.1 vs 41.0 hours use/week, P = .037) in univariate analysis, with a similar time to adherence data collection (4.4 vs 4.2 months, P = .612), though this finding was not maintained in the multivariate regression analysis. Decrease in apnea‐hypopnea index (21.3 vs 22.8, P = .734), treatment success (76.5% vs 84.0%, P = .665), functional threshold (1.5 vs 1.6, P = .550), therapeutic amplitude (2.3 vs 2.4, P = .882), and decrease in Epworth Sleepiness Scale (4.9 vs 2.6, P = .060) were not significantly different between cohorts.ConclusionThis study is the first to examine the orientation of the UAS electrode cuff concerning the electrodes' natural position and the potential effect on postoperative outcomes. Our study found no significantly different treatment outcomes between the L‐down versus R‐up cohort, with the exception of device adherence, which was significantly higher in the L‐down group on univariate analysis though not on multivariate analysis. Future studies with larger patient cohorts are needed to further investigate this potential relationship between treatment outcomes and electrode cuff orientation.
Direct Experimental Observation of the Tetrabromine Cluster Br4 by Synchrotron Photoionization Mass Spectrometry
Authors: McClish Rory , Meloni Giovanni 
Published: February 2024

AbstractWe present a first spectroscopic characterization of the homoatomic polyhalogen tetrabromine, Br4, in the gas phase. Photolysis of CHBr3 at 248 nm is used to generate atomic bromine radicals in a flow tube reactor. Resulting combination products are detected by photoionization mass spectrometry at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Interpretation of the experimental mass spectra is informed by calculated adiabatic ionization energies carried out at the CCSD(T)/aug‐cc‐pVTZ//M06‐2X/aug‐cc‐pVTZ and CCSD(T)/aug‐cc‐pVTZ//cam‐B3LYP/6‐311++g** levels of theory. Tunable VUV synchrotron radiation enables the collection of the mass‐selected photoionization spectra by which Br4 is assigned using Franck‐Condon simulations of a Br2 dimer with a stretched tetrahedral geometry.
Microscale and mesoscale modeling for compressive failure in unidirectional carbon fiber reinforced polymer composites with random distribution of fiber misalignments
Authors: Xie Jiaming , Ning Zhihua 
Published: February 2024

AbstractCompressive strength and failure mode of carbon fiber reinforced polymer (CFRP) composites are affected by the severity of fiber misalignment. In this paper, numerical models based on computational micromechanics are proposed to investigate the correlation between fiber misalignment and compression failure. A single‐fiber micromodel including fiber, matrix, and interface phases is first developed to capture the influence of misalignment severity on the material failure mode. The failure longitudinal stress distribution in the fiber predicted by the micromodel indicates that the failure mode depending on the initial misalignment can be identified as uniform compression failure, compression‐bending combination collapse, and fiber buckle. A mesoscale 2D model with multiple fibers is then constructed to investigate the kink band formation. This model takes into account the distribution of fiber misalignments to capture the key geometric features of fiber misalignment that influent the compression failure in realistic composite materials at the structural scale. The results show that fiber misalignment angle amplitude, misalignment dispersion (characterized by the standard deviation), and misalignment wavelength are the key parameters of fiber misalignment, which have significant effects on compression strength and kink band geometry.Highlights
Single‐fiber model to capture the effect of misalignment severity on failure mode.
Multi‐fiber model with randomly distributed fiber misalignments.
Failure mode depending on the severity of initial misalignment was identified.
Key parameters of misalignment on compression strength and kink band geometry.
Performance enhancement of 3D‐printed carbon fiber‐reinforced nylon 6 composites
Authors: Chen Siyu , Cai Longfei , Duan Yingzhu , Jing Xishuang , Zhang Chengyang , Xie Fubao 
Published: February 2024

AbstractThe inherent defects of the layer‐by‐layer manufacturing process limit the mechanical performance of 3D‐printed composite parts. This paper explores a process optimization method for continuous fiber composites 3D printing to improve the mechanical performance of 3D‐printed CF/PA6 (Carbon Fiber/Nylon 6) parts. First, the effects of printing temperature, printing speed, layer thickness, and side step on the mechanical performance of 3D‐printed CF/PA6 were studied by conducting variable parameter printing experiments. All optimal printing parameters for CF/PA6 were obtained, and their impact mechanisms were analyzed. Second, the coupling effect of temperature and pressure of post‐processing reduced the internal voids of 3D‐printed CF/PA6 and improved its mechanical properties. The influence mechanism of the coupling effect of temperature and pressure was summarized, and the optimal post‐processing parameters applicable to CF/PA6 were obtained. Based on the above process optimization, the fiber volume content of the printed CF/PA6 reached 41.05%, and the bending strength and elastic modulus reached 651.54 MPa and 79.08 GPa, which were 209.05% and 179.53% higher than those before optimization. Moreover, the tensile strength and elastic modulus reached 730 MPa and 29.23GPa, which were 98.10% and 81.10% higher than those before optimization. The experimental results give a positive validation of the effectiveness and feasibility of the proposed methodology.Highlights
The effects of printing temperature, printing speed, layer thickness, and side step on the mechanical properties of 3D‐printed CF/PA6 were investigated. The optimal printing parameters applicable to CF/PA6 were obtained and their influence mechanisms were analyzed.
The effects of the heat press processing method on the internal voids and mechanical properties of 3D‐printed CF/PA6 were investigated, and the optimal post‐processing parameters applicable to CF/PA6 were obtained.
The study resulted in optimal printing parameters and post‐processing parameters for 3D printing CF/PA6, which greatly enhanced its tensile and flexural strength and modulus.
Cover Image
Authors: Wang Yang , Zhang Chen , Li Helin , Li Hongyu , Diao Quanwei , Ren Xinyu , Hao Xinquan , Lin Bin , Yan Shuai 
Published: February 2024

AbstractThe cover image is based on the Research Article Identification and extraction of surface defects on composite workpieces based on Multilayer Perceptron‐Moth Flame algorithm two‐stage neural network by Yang Wang et al., https://doi.org/10.1002/pc.27952.image
Comparative study of the effect of cross‐linking degree on chitosan hydrogels synthesized with low and medium molecular weight chitosan
Authors: Kaçoğlu Hanife Songül , Ceylan Özgür , Çelebi Mithat 
Published: February 2024

AbstractChitosan (CS) is often used in hydrogels due to its natural origin, sustainability, non‐toxicity, and biodegradability. However, the physicochemical properties of CS hydrogels generated via physical cross‐linking are relatively poor. CS hydrogels were prepared by cross‐linking with glutaraldehyde (GA) at different ratios ranging from 1% to 10% (w/w), using two different molecular weight CS. The swelling degree of hydrogels was investigated at pH 2.0, 5.6, and 7.4. The structure, morphology, and thermal characteristics of hydrogels were examined using Fourier transform infrared, scanning electron microscopy, differential scanning calorimetry, and thermogravimetric analysis, respectively. Compression tests were conducted using Zwick/Roell universal testing equipment following ASTM D695. In vitro degradation studies were performed in enzyme and enzyme‐free mediums at pH 7.4. The study demonstrated that low molecular weight CS (L‐CS) hydrogels have a lower sol content and higher swelling values than medium molecular weight CS (M‐CS) hydrogels. Both L‐CS and M‐CS hydrogels cross‐linked with 1% GA showed maximum swelling degrees at pH 2.0. Thermal analysis concluded that M‐CS hydrogels have higher thermal stability than L‐CS hydrogels. It was also found that the M‐CS hydrogels have higher compressive moduli. The degradation experiments in both enzyme and enzyme‐free media showed that L‐CS hydrogels have higher degradation rates.Highlights
Chemically cross‐linked hydrogels synthesized using low and medium molecular weight chitosan.
The mechanical and physical properties of medium and low molecular weight chitosan hydrogels were compared.
Degradation experiments were performed in both enzyme and enzyme‐free media.
Swelling values decreased noticeably with the increasing molecular weight.
Low molecular weight chitosan improved the biodegradability of hydrogels.
Exponentiated half‐logistic Weibull distribution with reliability inference
Authors: El‐Awady Mahmoud Mohamed , El‐Monsef Mohamed Mohamed Ezzat Abd , Elbaz Islam Mohammed 
Published: February 2024

AbstractThis paper presents an in‐depth analysis of the exponentiated half‐logistic Weibull (EHLW) distribution, investigating its fundamental statistical properties and exploring parameters estimation using both maximum likelihood and Bayesian approaches. Specifically, our focus centers on the analysis of stress–strength reliability, denoted as , where the strength variable follows EHLW distribution, and the stress variable follows either Weibull distribution or the EHLW distribution. The estimation of the parameter is discussed in both scenarios, employing both Maximum Likelihood and Bayesian approaches. Furthermore, we calculate that the asymptotic confidence interval, percentile bootstrap interval, and the highest probability density credible interval are obtained for the stress–strength parameter . In order to assess the efficiency of these estimation techniques, simulation studies are conducted, providing valuable insights into the performance of each estimation approach. Finally, the proposed reliability model is applied to real datasets, highlighting its practical significance.
TD‐DFT analysis of the excitation of H‐dimers of cationic dyes in an aqueous solution using functionals without additional dispersion correction
Authors: Kostjukov Victor V. 
Published: February 2024

AbstractThis work is a development and extension of the previous one (DOI: 10.1039/d3cp00882g). Here, H‐dimers of acridine (acridine orange—AO and proflavine—PF), thiazine (methylene blue—MB and thionine—TH), and oxazine (brilliant cresyl blue—BCB and Nile blue—NB) dyes were modeled using hybrid functionals with a large proportion of exact Hartree–Fock exchange and long‐range correction. It turned out that nine functionals (LC‐ωHPBE, M06HF, M052X, M062X, M08HX, M11, MN15, SOGGA11X, and ωB97XD) reliably stabilize these molecular aggregates in both the ground and excited states. In addition, these functionals ensure that the conditions for transition moments (M(dimer) ≈ M(monomer) from strong coupling theory for H‐aggregates) and absorption maxima (λmax(dimer) < λmax(monomer) from Kasha exciton theory) are met. The S2 excited state stabilizes the H‐dimers more strongly than the ground state, while the S1 state stabilizes even more than S2. This is due to the large overlap between the corresponding molecular orbitals (LUMO > HOMO−1 > HOMO). When calculating the vibronic absorption spectra, the best agreement with the experiment for AO2, PF2, and NB2 showed the M08HX functional, and M11—for MB2 and BCB2. For dye monomers, these functionals gave the worst agreement, and MN15 demonstrated the closest similarity to the experiment. Vibronic absorption spectra for AO2, MB2, BCB2, and NB2 were calculated for the first time. The exciton splitting is calculated, which for MB2 is in good agreement with the experimental value.
Quality Control of Coumarins, Furocoumarins and Polymethoxyflavones in Citrus Essential Oils: In Silico Analysis
Authors: Ouabane. Mohamed , Alaqarbeh Marwa , Hajji Halima , Tabti Kamal , Ajana Mohammed Aziz , Sbai Abdelouahid , Sekkate Chakib , Lakhlifi Tahar , Bouachrine Mohammed 
Published: February 2024

AbstractCitrus essential oils (EOs) contain a variety of secondary metabolites, including coumarins (Cs), furocoumarins (FCs) and polymethoxyflavones (PMFs), all with different biological activities. While Regulation (EC) No 1334/2008 strictly regulates the use of coumarins, undesirable side effects of consuming furocoumarins remain without established maximum toxicity limits for human dietary intake. This study is based on an in‐silico approach aimed at determining these toxicity limits for the oxygenated heterocyclic compounds of citrus EOs approved for use in food. In addition, an innovative quantitative structure‐property relationship (QSPR) using the linear retention index system was explored to characterize the oxygenated heterocyclic compounds (COHs) present in these essential oils. Molecular docking of the studied compounds provided crucial insights into the structure‐odor relationships, offering insights into their mechanisms of action. In addition, an analysis of the pharmacokinetic and pharmacodynamic properties through ADME‐Tox deconstruction provides insight into the potential side effects of their consumption. The results are consolidated by dynamic simulations, providing crucial data for the development of regulations on the maximum toxicity limits of citrus EOs, given the health implications of the various compounds such as coumarins, furocoumarins and polymethoxyflavones present in these essential oils.
Fluorescence Resonance Energy Transfer Study Between ZnS Quantum Dots and Fluoranthene
Authors: Rajkumari Nandini Priyam , Roy Camelia , Goswami Pallabi 
Published: February 2024

AbstractSingle‐phase zinc sulphide (ZnS) quantum dots were synthesized by hydrothermal method without using any capping agent. X‐ray power diffraction, transmission electron microscopy, and ultraviolet‐visible spectroscopy were used to characterize the structure, size, surface states. Photoluminescence properties of ZnS quantum dots were studied to apply it as fluorescence sensor. The results showed that the crystal structure of ZnS quantum dots was a cubic zinc blende, and their average diameter was about 3.5 nm. A strong broad band cantered at about 320 nm was observed in the excitation spectrum of ZnS quantum dots. Their emission spectrum peaking at about 408 nm, was due mostly to the trap‐state emission. We used cadmium as fluorescence super quencher to detect the presence of cadmium. The relative integrated emission intensity of ZnS quantum dots decreased as the amount of Cd increased. That 408 nm emitted radiation was then used to detect the presence of fluoranthene, a potential carcinogen, present in solution. The novelty of the process is the use of water as a solvent for synthesis, without using any capping agent by slow hydrothermal process.
SB‐2 cationic resin: an efficient and reusable organocatalyst for the synthesis of α‐aminophosphonates, DFT calculations and, computer aided design in antifungal activity
Authors: Touil Nourhane , Guezane‐Lakoud Samia , Boukachabia Mourad , Haffas Maamar 
Published: February 2024

AbstractSB‐2 cationic resin has been employed as an unexpected and reusable heterogeneous organocatalyst in multicomponents reaction for the synthesis of the α‐aminophosphonates derivatives that act as antifungal agents, this reaction proceeds under eco‐friendly and simple procedure by condensation in one pot of substituted aromatic aldehydes, anilines and diethylphosphite. Excellent isolated product yields are obtained (up to 70 %) for (4 a–o) within shorter reaction times in solvent‐free condition. The synthesized compounds were determined by spectroscopic analyses such as: NMR (1H, 13C and 31P), IR and HRMS.Molecular geometries, electronic properties, stability and reactivity such as: HOMO/LUMO,
, dipole moment (6.1308<D<10.5829), electronegativity (2.3490<X<3.5892), electrophilicity (1.1046<ω<3.2185) and the calculated thermodynamic descriptors (Zero‐point Energies, Enthalpy and Gibbs Free Energy) of four trimethoxy α‐aminophosphonates derivatives (4 j, 4 k, 4 l and 4 m) were carried by DFT at B3LYP 6‐31G (d, p) basis set. Computer aided design by molecular docking of studied compounds revealed a good binding energy against 5HS1 receptor to be considered as antifungal candidates and compared with Voriconazole. In additionally, druglikeness parameters of selected compounds were found through in silico pharmacological ADME/T properties estimation.
AIE‐Active Ferrocene Appended Linear (D‐π‐A) Aromatic Ester Chromophores: Structural, Theoretical and Effect on Phenyl Ring on Luminescence and Nonlinear Optical Properties
Authors: Chithra Vadakkalur Sampath , Prabu Selvam , Babu Gowtham , Viswanathan Thamodharan , David Ezhumalai , Logesh Kalidoss , Palanisami Nallasamy 
Published: February 2024

AbstractIn the present research, a new ferrocene‐appended linear donor‐π‐acceptor (D‐π‐A) ester chromophore Fc‐(C6H4)2‐COOC2H5 (2) was synthesized and characterized using various spectroscopic techniques. The molecular structure of chromophore 2 was determined using single‐crystal X‐ray diffraction analysis, revealing its crystallization in the monoclinic crystal system with the P21/n space group. The chromophore Fc‐C6H4‐COOC2H4 (1) was utilized to compare its photophysical and nonlinear optical characteristics with those of 2. Cyclic voltammetry revealed a single‐electron transfer mechanism from Fe2+↔Fe3+. The emission solvatochromism studies show a polarized excited state in response to increasing solvent polarity, indicating charge transfer processes. Interestingly, in mixed aqueous media (THF/H2O), the chromophores exhibit intensified fluorescence due to restricted intra‐molecular rotation (RIR), despite weak emission in THF solvent. Chromophore 2 demonstrated 1.5 times higher second harmonic generation (SHG) efficiency than 1, attributed to its extended π‐conjugation from an additional phenyl ring and reduced antiparallel alignments. Despite its centrosymmetric crystal packing, chromophore 2 exhibited SHG efficiency due to non‐covalent interactions (C−H⋅⋅⋅π) in the crystal lattice. Density Functional Theory (DFT) calculations, employing various functionals, provided insights into dipole moment and first hyperpolarizability, with B3LYP‐hybrid functional underestimating hyperpolarizability values owing to long‐range charge transfer interactions within the D‐π‐A systems, aligning closely with experimental findings.
Asymmetric Synthesis of Trifluoromethyl Substituted Spiro[Indoline‐3,4′‐Pyrano[2,3‐c]Pyrazole] Derivatives with Organocatalysts
Authors: Özcan Bilge Deniz , Kömüşdoğan Ezgi Bayer , Şahin Ertan , Tanyeli Cihangir 
Published: February 2024

AbstractSpirocyclic compounds have always attracted attention due to their presence as a structural core in a wide variety of natural and bioactive molecules and to exhibit pharmaceutical properties. An asymmetric synthesis of spiro[indoline‐3,4′‐pyrano[2,3‐c]pyrazoles] via Michael addition of trifluoromethyl substituted pyrazolone to isatylidene ethyl cyanoacetate derivatives was conducted with excellent enantioselectivities up to 99 % and up to 97 % isolated yield at room temperature with using 2 mol % of bifunctional quinine derived squaramide organocatalysts.