bluuebunny/crossref_metadata_2025_split huggingface dataset:
Implementation and evaluation of digital twin framework for Internet of Things based healthcare systems
Authors: Jameil Ahmed K. , Al‐Raweshidy Hamed 
Published: December 2024

AbstractThe integration of digital twins (DTs) in healthcare is critical but remains limited in real‐time patient monitoring due to challenges in achieving low‐latency telemetry transmission and efficient resource management. This paper addresses these limitations by presenting a novel cloud‐based DT framework that optimises real‐time healthcare monitoring, providing a timely solution for critical healthcare needs. The framework incorporates a Pyomo‐based dynamic optimisation model, which reduces telemetry latency by 32% and improves response time by 52%, surpassing existing systems. Leveraging low‐cost, low‐latency multimodal sensors, the system continuously monitors critical physiological parameters, including SpO2, heart rate, and body temperature, enabling proactive health interventions. A DT definition language (Digital Twin Definition Language)‐based time series analysis and twin graph platform further enhance sensor connectivity and scalability. Additionally, the integration of machine learning (ML) strengthens predictive accuracy, achieving 98% real‐time accuracy and 99.58% under cross‐validation (cv = 20) using the XGBoost algorithm. Empirical results demonstrate substantial improvements in processing time, system stability, and learning capacity, with real‐time predictions completed in 17 ms. This framework represents a significant advancement in healthcare monitoring, offering a responsive and scalable solution to latency and resource constraints in real‐time applications. Future research could explore incorporating additional sensors and advanced ML models to further expand its impact in healthcare applications.
How would you like your proximal femoral nail – with a monocortical recon plate, with cable, or neat? A functional and radiological study of reverse oblique (AO/OTA 31-A3) intertrochanteric femur fractures
Authors: Abul Mehmet Süleyman , Metin Aytunç , Sevim Ömer Faruk , Hekim Ömer , Eceviz Engin 
Published: December 2024

Objective: Intertrochanteric femur fractures (ITFF), more so reverse oblique fractures (AO/OTA 31-A3), are the most challenging clinically, with significant morbidity and mortality. Early stable fixation should be achieved to allow early mobilization and reduce complications. This study evaluates the functional and radiological outcomes of three Proximal Femoral Nail (PFN) techniques – PFN alone, Cable + PFN, and Monocortical reconstruction plate (MRP) + PFN– in managing reverse oblique ITFF, to determine the most ideal of them. Methods: A retrospective analysis was performed on 106 patients treated from 2015 to 2022. The patients were classified by the surgical intervention: Cable + PFN (n = 37), MRP + PFN (n = 29), and PFN (n = 40). The critical parameters analyzed included healing time, quality of reduction, rates of complications, and functional outcomes of Trendelenburg gait. Results: The bone healing time was significantly faster in the Cable + PFN group and MRP + PFN group as compared to the PFN group, 4.43 ± 0.92 and 4.44 ± 0.90 months versus 6.40 ± 2.41 months, respectively (p < 0.001). Compared with the PFN group, the number of cases with Trendelenburg gait in the Cable + PFN group was significantly lower, 10.8%. The number of patients showing the Trendelenburg gait trended lower in the MRP + PFN group but was insignificant (p = 0.075). Radiological outcomes did not differ significantly among the groups. Conclusion: The use of Cable + PFN and MRP + PFN techniques has superior outcomes with earlier bone union and far less incidence of Trendelenburg gait than PFN alone. These findings can help hint that perhaps the usage of cables and recon plates enhances the stability and functional restoration in patients who have sustained reverse oblique ITFF.
Level of evidence: III
Harnstoffzyklusstörungen
Authors: Posset Roland , Zielonka Matthias 
Published: December 2024

ZUSAMMENFASSUNGHarnstoffzyklusstörungen gehören zu einer Gruppe seltener angeborener Stoffwechselerkrankungen des Intermediärmetabolismus. Abgesehen vom Ornithin Transcarbamylase-Mangel, der X-chromosomal vererbt wird, werden die weiteren Harnstoffzyklusstörungen autosomal rezessiv vererbt und zeichnen sich durch eine kumulative Inzidenz von etwa 1:35 000 Individuen im deutschsprachigen Raum (Deutschland, Österreich, Schweiz) aus. Harnstoffzyklusstörungen sind (bisher) kein Bestandteil des regulären Neugeborenenscreenings in Deutschland und werden daher in der Mehrzahl der Fälle im Neugeborenenalter durch selektive Diagnostik im Rahmen einer hyperammonämischen Entgleisung identifiziert, selten jedoch auch durch einen vorbekannten Indexpatienten und in dem Rahmen durch eine prä- oder postnatale zügige Abklärung. Typischerweise zeigen die Neugeborenen nach einem unauffälligen Schwangerschaftsverlauf und einem postnatalen symptomfreien Intervall von Stunden bis wenigen Tagen ein verheerendes Krankheitsbild mit Trinkschwäche, Lethargie, zerebralen Krampfanfällen sowie Symptomen, die einer Sepsis ähneln. Neben dieser schweren Präsentation können sich Individuen mit Harnstoffzyklusstörungen jedoch auch mit einem attenuierten Phänotyp und variablen klinischen Symptomen zu jedem Zeitpunkt jenseits der Neugeborenenperiode präsentieren. Aufgrund des heterogenen phänotypischen Bildes ist die Kenntnis für Pädiater, Stoffwechselmediziner, Kinder-/Neurologen, Gastroenterologen, Psychiater sowie Gynäkologen von Bedeutung, sodass der nachfolgende Artikel eine fokussierte Zusammenfassung der relevanten klinischen Informationen, Differenzialdiagnosen, Abklärungsmodalitäten sowie kursorisch die Therapieprinzipien und neue wissenschaftliche Erkenntnisse darstellt.
Kongenitaler Hyperinsulinismus
Authors: Empting Susann , Mohnike Klaus 
Published: December 2024

ZUSAMMENFASSUNGBereits in den 1950er-Jahren wurde eine Familie mit leuzinsensitiver Hypoglykämie beschrieben, die erstmals eine genetische Ursache der „idiopathischen Hypoglykämie des Säuglings McQuarry“ vermuten ließ. Jedoch erst in den 1990er-Jahren konnten genetische Ursachen des damals unspezifisch als Nesidioblastose bezeichneten kongenitalen Hyperinsulinismus nachgewiesen werden. Diese Erkenntnisse zur Pathogenese führten bereits wenige Jahre später zur lebenslangen Heilung für etwa ein Drittel der zuvor intensivmedizinisch betreuten Säuglinge. Bei dieser Teilgruppe liegt ein umschriebener hochaktiver Fokus im Pankreas vor, der häufig laparoskopisch entfernt werden kann. Auch für die medikamentöse Therapie gibt es den Ausblick auf eine Präzisionstherapie mit löslichem Glukagon, spezifischem Insulinrezeptorantikörper und einem spezifischen GLP-1-Antagonisten.
Alles kann – nichts muss? Genesungsbegleitung (Peer-Support) auf
akutpsychiatrischen Stationen
Authors: Stolz Celina , Oster Anna , Czernin Klara , Baumgartner Josef , Junghanss Julia , Mahler Lieselotte 
Published: December 2024

ZusammenfassungDiese qualitative Studie untersucht Genesungsbegleitung im akutpsychiatrischen
Setting. Es wurden vier Genesungsbegleitende, zwölf andere Mitarbeitende und
vier Patient:innen zweier Stationen in semistrukturierten Interviews befragt.
Genesungsbegleitende erleben in diesem Kontext besondere Chancen und
Herausforderungen. Die Befragten gaben an, dass Genesungsbegleitende die
Vermittlung zwischen Patient:innen und Team und eine Normalisierung des
Stationsalltags durch Aktivitäten, Förderung sozialer Kontakte bewirkten und
Verständnis und Vertrauen durch ähnliche Erfahrungen sowie Hoffnung und
Selbstwirksamkeit vermittelten. Die anderen Mitarbeitenden profitieren von der
Weitergabe wichtiger Informationen über Patient:innen, Entlastung durch
Aufgabenübernahme, Sensibilisierung für Stigmatisierungen sowie Förderung ihrer
Recovery-Einstellung. Genesungsbegleitende haben keinen direkten Einfluss auf
Zwangsmaßnahmen, tragen aber zur Deeskalation und Aufarbeitung bei. Spezifische
Rahmenbedingungen sind notwendig.
Maternal Prepregnancy Body Mass Index and Risk of Preterm Birth: The Role of Weight Gain during Pregnancy, Race, and Ethnicity
Authors: Sawadogo Wendemi , Tsegaye Medhin , Gizaw Andinet , Newland Hunter , Adera Tilahun 
Published: December 2024

Objective Preterm birth (PTB) is one of the leading causes of infant and neonatal mortality. Prepregnancy body mass index (BMI; kg/m2) has been linked to PTB but the evidence of this association by weight gain during pregnancy, race, and ethnicity is limited. This study aimed to assess the association between maternal prepregnancy BMI and PTB stratified by weight gain during pregnancy, race, and ethnicity.
Study Design The U.S. natality data from 2017 to 2021 were used. In this analysis, we included mothers who had a live singleton birth and available data for prepregnancy BMI, gestational age at birth, weight gain during pregnancy, race, and ethnicity. Logistic regression models were used to assess the association between prepregnancy BMI categories and PTB stratified by weight gain during pregnancy, race, and ethnicity.
Results A total of 17,311,509 singleton live births were included of which 1,393,889 (8.05 %) were PTBs. After adjusting for confounders, compared with normal prepregnancy BMI mothers (18.5–24.9), those with underweight BMI (<18.5) were at increased odds of PTB regardless of weight gain during pregnancy, race, and ethnicity. However, for mothers with a prepregnancy BMI above the normal weight (≥25), the association between prepregnancy BMI and PTB differs by weight gain during pregnancy, race, and ethnicity. Asian mothers with obesity II (35.0–39.9) had 93% (odds ratio [OR] = 1.93, 95% confidence interval [CI]: 1.62–2.30) increased odds of PTB for weight gain during pregnancy of 31 to 40 pounds. Their White, Hispanic, and Black counterparts experienced lower odds of PTB for similar weight gain during pregnancy (White: OR = 1.56, 95% CI: 1.51–1.60; Hispanic: OR = 1.48, 95% CI: 1.41, 1.54; and Black: OR = 1.22, 95% CI: 1.17–1.27).
Conclusion Mothers with underweight BMI were at increased risk of PTB regardless of weight gain during pregnancy, race, and ethnicity. However, the association between high prepregnancy BMI and PTB varied by weight gain during pregnancy, race, and ethnicity.
Key Points
Plants with Hair Growth Activity for Alopecia: A Scoping Review on Methodological Aspects
Authors: Galende Sharize Betoni , Paula Mariana Nascimento de , Fachi Mariana Millan , Medeiros Araújo Daniela Cristina de , Chierrito Danielly , Mello João Carlos Palazzo de 
Published: December 2024

AbstractAlopecia is a common dermatological disorder of patchy hair loss with substantial patient burden. Phytotherapeutic compounds are increasingly used as a source of new therapeutic options. This review aimed to synthesize the evidence on plant species in hair growth and the methodological aspects of in vivo experimental models. The systematic scoping review was conducted following the PRISMA checklist, the Joanna Briggs Institute, and in accordance with Cochrane. A systematic search was carried out in the Pubmed, Scopus, Web of Science, and SciELO databases. In vivo experiments that evaluated hair growth activity using natural substances of plant origin were included. Data collection and analysis: a total of 1250 studies were identified, of which 175 were included for qualitative synthesis. Of these, 128 used mice, 37 rats, 10 rabbits, 1 guinea pig, and 1 sheep as animal models. The methodologies mapped were as follows: hair growth analysis, histological analysis,
immunohistochemistry, gene expression analysis, Western blot, enzyme-linked immunosorbent assay, and biochemical analysis. Minoxidil and finasteride were the most commonly used positive controls. The studies evaluated plant species (166), algae (11), or isolated substances (31). Overall, 152 plant species and 37 isolated substances were identified. This is the first systematic scoping review on the methodological aspects of in vivo hair growth activity. We created a checklist to be completed by authors to allow data comparison and reproducibility, facilitate data interpretation by readers, and ensure better quality of evidence. This work may become a valuable tool for future research and contribute to significant advances in hair growth studies.
Toward robust electronic coupling predictions in redox-active TEMPO/TEMPO+ systems
Authors: Mitra Souvik , Zens Clara , Kupfer Stephan , Diddens Diddo 
Published: December 2024

This research elucidates the intricate nature of electronic coupling in the redox-active (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO), commonly utilized in organic radical batteries. This study employs a combination of classical molecular dynamics and various electronic coupling calculation schemes. Within the context of the generalized Mulliken–Hush method, the electronic couplings are investigated via the complete active space self-consistent field approach, in combination with n-electron valence state perturbation theory, to provide an accurate description of both static and dynamic electron correlation as well as using (time-dependent) density functional theory simulations. Furthermore, the electronic communication between redox-active sites is studied using the cost-efficient density functional theory (DFT)-based frontier molecular orbital (FMO) approach. Our study reveals the dependence of the electronic coupling on the distance and the relative orientation of the redox pairs (TEMPO and TEMPO+). Apart from the expected exponential distance dependence, we found pronounced orientation dependence, with coupling values varying up to 0.2 eV, which is reflected by a substantial basis set dependency of the couplings, in particular at short distances. In addition, our study highlights the limitations of the DFT-based FMO method, in particular at short intermolecular distances between the redox-active sites, which may lead to a mixing of the involved molecular orbitals. This comparison will provide us with the most cost–accuracy-effective method for calculating electronic couplings in TEMPO–TEMPO+ systems.
Complete RITZ Set of Ro-Vibrational Energy Levels of 16O3 Deduced from Experimental Spectra: Critical Analysis of Transition Frequencies in Spectroscopic Databases
Authors: Tashkun Sergey , Barbe Alain , Mikhailenko Semen , Starikova Evgeniya , Tyuterev Vladimir 
Published: December 2024

In this work, we provide the most complete to date reference data for 28 572 rovibrational levels of the electronic ground state of the ozone 16O3 molecule up to the maximum rotational quantum numbers J = 80, Ka = 29 determined from 75 290 experimental transitions covering the range (0.3–7999) cm−1. These energy levels belong to 98 vibrational states extending up to 96.7% of the first dissociation threshold D0 of the molecule. The energy determination procedure is based uniquely on the fundamental Ritz-Planck-Einstein energy conservation principle without use of any approximate Hamiltonian models. A dedicated RITZ computer code produces uncertainties and the correlation matrix for all derived energy levels and permits the prediction of confidence intervals for all dipole-allowed transitions among these levels. The rms deviation of the RITZ transitions for microwave experimental data up to the THz range is 2.6 × 10−6 cm−1. For infrared transitions up to the fundamental and second overtone and combinational bands, including 10 and 5 µm regions important for atmospheric and astrophysical applications, the rms deviation is 1.8 × 10−4 cm−1. For the entire set of lines, the rms deviation is 5.5 × 10−4 cm−1 with the overall dimensionless weighted standard deviation of 0.7. Most of the energy level data is original. For the regions above 6000 cm−1, where empirical data have been previously obtained in the literature from CRDS laser measurements, our data agree well with the published values but provide a more realistic uncertainty analysis. Detailed comparisons of the RITZ transitions with the HITRAN2020 database are discussed and related recommendations are suggested.
Development of a dual-spectroscopic system to rapidly measure diisopropyl methyl phosphonate (DIMP) decomposition and temperature in a reactive powder environment
Authors: Borah Preetom , Alemohammad Milad , Foster Mark , Weihs Timothy P. 
Published: December 2024

The development of systems to measure and optimize emerging energetic material performance is critical for Chemical Warfare Agent (CWA) defeat. In order to assess composite metal powder efficacy on CWA simulant defeat, this study documents a combination of two spectroscopic systems designed to monitor the decomposition of a CWA simulant and temperature rises due to combusting metal powders simultaneously. The first system is a custom benchtop Polygonal Rotating Mirror Infrared Spectrometer (PRiMIRS) incorporating a fully customizable sample cell to observe the decomposition of Diisopropyl Methyl Phosphonate (DIMP) as it interacts with combusting composite metal particles. The second is a tunable diode laser absorption spectroscopy (TDLAS) used to monitor increases in background gas temperatures as the composite metal powders combust. The PRiMIRS system demonstrates a very high signal to noise ratio (SNR) at slow timescales (Hz), reasonable SNR when operating at faster timescales (100 Hz), and capabilities of resolving spectral features with a FWHM resolution of 15 cm−1. TDLAS was able to monitor temperature rises between room temperature and 230 ± 5 °C while operating at 100 Hz. For testing, liquid DIMP was inserted in a preheated stainless steel (SS) cell to generate DIMP vapor and (Al–8Mg):Zr metal powders were ignited in a SS mount with a resistively heated nichrome wire at one end of the cell. The ignited particles propagated across the cell containing DIMP vapor. The path averaged gas temperature in the preheated SS cell rises rapidly (100 ms) and decays slowly (&lt;5 s) but remains below 230 °C during particle combustion, a temperature at which the thermal decomposition of DIMP is not observed over similarly short timescales (seconds). However, when combusting particles were introduced to the DIMP vapor (heterogeneous environment), spectral signatures indicative of decomposition product formation, such as isopropyl-methyl phosphonate (IMP) and isopropyl alcohol, were observed within seconds.
Convergence of the many-body expansion with respect to distance cutoffs in crystals of polar molecules: Acetic acid, formamide, and imidazole
Authors: Nelson Philip M. , Sherrill C. David 
Published: December 2024

The many-body expansion, where one computes the total energy of a supersystem as the sum of the dimer, trimer, tetramer, etc., subsystems, provides a convenient approach to compute the lattice energies of molecular crystals. We investigate approximate methods for computing the non-additive three-body contributions to the crystal lattice energy of the polar molecules acetic acid, imidazole, and formamide, comparing to coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] level benchmarks. Second-order Møller–Plesset perturbation theory (MP2), if combined with a properly damped Axilrod–Teller–Muto dispersion potential, displays excellent agreement with CCSD(T) at a substantially reduced cost. Errors between dispersion-corrected MP2 and CCSD(T) are less than 1 kJ mol−1 for all three crystals. However, the three-body energy requires quite large distance cutoffs to converge, up to 20 Å or more.
Modeling and application research of absolute gravimeter driven by a V-shaped linear ultrasonic motor
Authors: Zhou Lifeng , Xu Hao , Geng Ranran , Yao Zhiyuan 
Published: December 2024

A V-shaped linear ultrasonic motor (LUSM), used as a driving element for the absolute gravimeter, generates structural vibrations when the motor starts and stops, which interfere with and influence the accurate measurement of the absolute gravimeter. In order to address this problem and provide better stability and measurement accuracy, this paper designs a fuzzy proportional integral differential (PID) controller and realizes the drive control of the motor on a field programmable gate array (FPGA) using the Verilog hardware description language (HDL). The advantages of the proposed controller are verified by comparing the simulation results with those of the traditional PID controller. First, the technical index of the LUSM as the driving element is studied through theoretical analysis based on the operation mechanism of the absolute gravimeter. Then, the relationship between the output performance and the input parameters (excitation voltage, preload, and driving frequency) of the motor in a vacuum/natural environment is experimentally investigated. Finally, an experimental system is constructed, and experiments are conducted to measure the acceleration of gravity and compare with the test results of the habitual FG-5 absolute gravimeter. The experimental results show that the output performance of the V-shaped LUSM meets the requirements of the driving element of the absolute gravimeter. The combination of the two control methods can realize the repeatable and stable operation of the system. Moreover, the motor with a mass of only 92 g can output force directly without transmission components. The complexity and the weight of the system are significantly reduced, which has certain advantages.
Exploring direct photodetachment and photodissociation–photodetachment dynamics of platinum iodide anions (PtIn−, n = 2–5) using cryogenic photoelectron spectroscopy
Authors: Zhao Qixu , Zhang Jian , Li Xueying , Tang Peng , Yang Fan , Ma Junyang , Hu Zhubin , Sun Haitao , Wang Xue-Bin , Sun Zhenrong , Yang Yan 
Published: December 2024

The direct photodetachment and two-photon photodissociation–photodetachment processes of a series of PtIn− (n = 2–5) anions were systematically studied using cryogenic anion photoelectron spectroscopy and first-principles electronic structure calculations. The adiabatic/vertical detachment energies (ADEs/VDEs) of these anions were determined from their 193 nm photoelectron (PE) spectra, i.e., 3.54/3.63, 4.04/4.09, 4.33/4.36, and 4.37/4.41 eV for n = 2–5, respectively, and well reproduced by B3LYP-D3(BJ)/aug-cc-pVTZ-pp calculations. As the coordination number increases, the electron affinity (EA) of PtIn• (n = 2–5) neutrals (equivalent to the corresponding anion’s ADE) gradually increases, exceeding the EA of Cl at n = 3 and exhibiting superhalogen characteristics for n ≥ 3. Meanwhile, the ground state transition contributed from detaching electrons in the highest occupied molecular orbital gradually evolves from the central metal Pt to the iodine ligands. For the PtI3− anion, besides one-photon direct detachment, four distinct two-photon photodissociation–photodetachment channels were identified, and the competition between them was discussed.