bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Commentary on Robin Hendry’s Views on Molecular Structure, Emergence and Chemical Bonding
Authors: Scerri Eric 
Published: December 2023

AbstractIn this article I examine several related views expressed by Robin Hendry concerning molecular structure, emergence and chemical bonding. There is a long-standing problem in the philosophy of chemistry arising from the fact that molecular structure cannot be strictly derived from quantum mechanics. Two or more compounds which share a molecular formula, but which differ with respect to their structures, have identical Hamiltonian operators within the quantum mechanical formalism. As a consequence, the properties of all such isomers yield precisely the same calculated quantities such as their energies, dipole moments etc. The only means through which the difference between the isomers can be recovered is to build their structures into the quantum mechanical calculations, something that is carried out by the application of the Born-Oppenheimer approximation. Consequently, it has been argued by many authors that molecular structure is written in ‘by hand’ rather than derived. Robin Hendry is one such author, but he goes a great deal further by proposing that this situation implies the existence of emergence and downward causation. In the current article I argue that there are alternative explanations which render emergence and downward causation redundant. Such an alternative lies in the notion of quantum decoherence and the appeal to work in the foundations of physics, which posits that the various isomers exist as a superposition until their wavefunctions are collapsed either by observation or by interacting with their environment.Hendry also alludes to a debate among chemists as to whether chemical bonds are real or not, in the sense of directional connections between two or more nuclei in any given molecule. I reject this view and propose that the structural and energetic views of chemical bonding, that have been discussed by some philosophers of chemistry including Hendry, do not refer to any essential ontological differences. I agree that chemists view bonding in a more realistic fashion and may consider bonds to be in some senses real, while physicists may consider bonding in more abstract energetic terms. However, I do not believe that such differences in scientific practice and attitudes should be considered to offer a window as to the ontological status of bonding or whether bonding is real. Finally, I discuss the kinetic energy school of chemical bonding which would seem to challenge any notion of bonds as directional entities, since bonding is no longer regarded as being primarily due to the build-up of electron density between nuclei.
Holographic quantum distances and replica trick
Authors: Xiao Zi-Qing , Yang Run-Qiu 
Published: December 2023

Abstract
This paper gives concrete examples to exhibit how to use the replica trick to calculate the quantum (quasi-)distances holographically. First, we consider the fidelity and relative entropy between thermal states that are dual to the Schwarzschild-AdS black holes. Then we generalize our method into the RN-AdS black holes by adding a U(1) gauge field. We also investigate the fidelity between states excited by scalar operator in probe limit. In this case, it is surprising that the fidelity in standard quantization will suffer from new UV divergence though the usual holographic renormalization has been applied. We call for deep understanding for such divergence in the future. We also discover a holographic method to check whether the density matrices of two holographic states are commutative.
The Hamilton Compression of Highly Symmetric Graphs
Authors: Gregor Petr , Merino Arturo , Mütze Torsten 
Published: December 2023

AbstractWe say that a Hamilton cycle $$C=(x_1,\ldots ,x_n)$$C=(x1,…,xn)in a graph Gisk-symmetric, if the mapping$$x_i\mapsto x_{i+n/k}$$xi↦xi+n/kfor all$$i=1,\ldots ,n$$i=1,…,n, where indices are considered modulo n, is an automorphism of G. In other words, if we lay out the vertices$$x_1,\ldots ,x_n$$x1,…,xnequidistantly on a circle and draw the edges of Gas straight lines, then the drawing of Ghask-fold rotational symmetry, i.e., all information about the graph is compressed into a$$360^\circ /k$$360∘/kwedge of the drawing. The maximum kfor which there exists ak-symmetric Hamilton cycle in Gis referred to as theHamilton compression of G. We investigate the Hamilton compression of four different families of vertex-transitive graphs, namely hypercubes, Johnson graphs, permutahedra and Cayley graphs of abelian groups. In several cases, we determine their Hamilton compression exactly, and in other cases, we provide close lower and upper bounds. The constructed cycles have a much higher compression than several classical Gray codes known from the literature. Our constructions also yield Gray codes for bitstrings, combinations and permutations that have few tracks and/or that are balanced.
Digitale Gesundheitsanwendungen (DiGA) im Spannungsfeld von Fortschritt und Kritik
Authors: Schlieter Hannes , Kählig Maren , Hickmann Emily , Fürstenau Daniel , Sunyaev Ali , Richter Peggy , Breitschwerdt Rüdiger , Thielscher Christian , Gersch Martin , Maaß Wolfgang , Reuter-Oppermann Melanie , Wiese Lena 
Published: December 2023

ZusammenfassungIm Dezember 2019 wurden in Deutschland Digitale Gesundheitsanwendungen (DiGA) in die Regelversorgung aufgenommen und können somit durch die gesetzlichen Krankenkassen erstattet werden, um PatientInnen bei der Behandlung von Erkrankungen oder Beeinträchtigungen zu unterstützen. Inzwischen gibt es 48 DiGA (Stand: Oktober 2023) im Verzeichnis des Bundesinstituts für Arzneimittel und Medizinprodukte (BfArM), die vor allem in den Bereichen mentale Gesundheit, Hormone und Stoffwechsel sowie Muskeln, Knochen und Gelenke eingesetzt werden. In diesem Artikel beschreibt die Fachgruppe „Digital Health“ der Gesellschaft für Informatik e. V. (GI) die aktuellen Entwicklungen rund um die DiGA sowie das derzeitige Stimmungsbild zu Themen wie Nutzerzentrierung, Akzeptanz von PatientInnen und Behandelnden sowie Innovationspotenzial. Zusammenfassend haben DiGA in den letzten 3 Jahren eine positive Entwicklung in Form eines langsam steigenden Angebots verschiedener DiGA und Leistungsbereiche erfahren. Nichtsdestotrotz sind in einigen Bereichen noch erhebliche regulatorische Weichenstellungen notwendig, um DiGA langfristig in der Regelversorgung zu etablieren. Zentrale Herausforderungen bestehen u. a. in der Nutzerzentrierung oder in der nachhaltigen Verwendung der Anwendungen.
Behandlungsregime tiefer sternaler Wundinfektionen nach kardiochirurgischen Eingriffen im interdisziplinären Ansatz
Authors: Bieler D. , Franke A. , Völlmecke M. , Hentsch S. , Markewitz A. , Kollig E. 
Published: December 2023

ZusammenfassungZiel dieser Arbeit ist es, anhand der diagnostischen und therapeutischen Herangehensweise bei der interdisziplinären Behandlung von 54 Patienten mit einer tiefen sternalen Wundinfektion (TSWI) nach kardiochirurgischem Eingriff sowie der erzielten Ergebnisse die Wertigkeit eines strukturierten und situationsadaptierten Vorgehens vorzustellen. Es handelte sich um 41 Männer und 13 Frauen mit einem Durchschnittsalter von 65,1 Jahren, die im Zeitraum 2003–2016 nach kardiochirurgischem Eingriff eine TSWI entwickelten. Die Behandlungsstrategie setzte sich zusammen aus dem konsequenten Débridement, einschließlich der Entfernung des einliegenden Fremdmaterials, der Rekonstruktion nach Infektbeherrschung mit stabiler Reosteosynthese und ggf. situationsbedingter Lappenplastik für eine gut durchblutete Defektdeckung und zwingender Vermeidung von Totraum. Es wurden insgesamt 146 Operationen erforderlich (durchschnittlich 2,7 Operationen/Patient, Bereich: eine bis 7 Operationen). In 24,1 % der Fälle konnte ein einzeitiges Vorgehen durchgeführt werden. Bei 41 Patienten wurde zur Wundkonditionierung die „negative pressure wound therapy“ (NPWT) mit programmierten Schwammwechseln angewendet (im Mittel 5 Wechsel, Standardabweichung [SD] ± 5,6 Wechsel über 22 Tage, SD ± 23,9 Tage, Wechselintervall alle 3 bis 4 Tage in 40,7 % der Fälle). Bei 33 Patienten wurde ein beidseitiger myokutaner Pectoralis-major-Lappen genutzt, bei 4 Patienten ein „Vertical-rectus-abdominis-myocutaneous“(VRAM)-Lappen, bei 7 Patienten beide. Am Sternum wurden 43 Osteosynthesen mit winkelstabilen Titanplattensystemen durchgeführt. Sieben Patienten verstarben unter intensivmedizinischer Behandlung (Gesamtmortalität 13 %; n = 5 (9,3 %) ≤ 30 Tage) oder im weiteren Verlauf. Mit saniertem Infekt konnten 47 Patienten entlassen werden (87,1 %). Bei 2 Patienten wurden die Implantate nach 2 Jahren wegen Auslockerung entfernt.
Child-to-adult body size change and risk of type 2 diabetes and cardiovascular disease
Authors: Carrasquilla Germán D. , Ängquist Lars , Sørensen Thorkild I. A. , Kilpeläinen Tuomas O. , Loos Ruth J. F. 
Published: December 2023

Abstract
Aims/hypothesis
Childhood overweight increases the risk of type 2 diabetes and cardiovascular disease in adulthood. However, the impact of childhood leanness on adult obesity and disease risk has been overlooked. We examined the independent and combined influences of child and adult body size on the risk of type 2 diabetes and cardiovascular disease.

Methods
Data from the UK Biobank on 364,695 individuals of European ancestry and free of type 2 diabetes and cardiovascular disease were divided into nine categories based on their self-reported body size at age 10 and measured BMI in adulthood. After a median follow-up of 12.8 years, 33,460 individuals had developed type 2 diabetes and/or cardiovascular disease. We used Cox regression models to assess the associations of body size categories with disease incidence.

Results
Individuals with low body size in childhood and high body size in adulthood had the highest risk of type 2 diabetes (HR 4.73; 95% CI 4.50, 4.99), compared to those with average body size in both childhood and adulthood. This was significantly higher than the risk in those with high body size in both childhood and adulthood (HR 4.05; 95% CI 3.84, 4.26). By contrast, cardiovascular disease risk was determined by adult body size, irrespective of childhood body size.

Conclusions/interpretation
Low body size in childhood exacerbates the risk of type 2 diabetes associated with adult obesity but not the risk of cardiovascular disease. Thus, promoting healthy weight management from childhood to adulthood, among lean children, is crucial.

Graphical Abstract
Validation of global ionospheric models using long-term observations of pulsar Faraday rotation with the LOFAR radio telescope
Authors: Porayko Nataliya K. , Mevius Maaijke , Hernández-Pajares Manuel , Tiburzi Caterina , Olivares Pulido German , Liu Qi , Verbiest Joris P. W. , Künsemöller Jörn , Krishnakumar Moochickal Ambalappat , Bak Nielsen Ann-Sofie , Brüggen Marcus , Graffigna Victoria , Dettmar Ralf-Jürgen , Kramer Michael , Osłowski Stefan , Schwarz Dominik J. , Shaifullah Golam M. , Wucknitz Olaf 
Published: December 2023

AbstractBroad band pulsar radiation can be effectively used to monitor the properties of the magneto-ionic media through which it propagates. Faraday rotation calculated from polarised pulsar observations provides an integrated product of electron densities and the line-of-sight component of the magnetic field in the intervening plasma. In particular, a time-variable effect mainly associated with the rapidly changing column density of the Earth’s ionosphere and plasmasphere heavily dominates the observed Faraday rotation of pulsar radiation. In this work, we aim to carry out a performance test of three GNSS-based models of the ionosphere using observations of PSR J0332+5434 taken with the LOw Frequency ARray (LOFAR). As it was shown in Porayko et al. (Month Not Roy Astron Soc 483(3):4100–4113, 2019. https://doi.org/10.1093/mnras/sty3324. arXiv:1812.01463), the conventional single layer model (SLM), which assumes that the ionosphere is a thin slab at a fixed effective height, is not capable of fully accounting for the ionospheric Faraday rotation in pulsar data. The simplified physics of the SLM is upgraded within IRI-Plas (International Reference Ionosphere and Plasmasphere) extended SLM and the dual-layer voxel TOmographic Model of the Ionosphere (TOMION), both of which partially account for the thickness and vertical dynamics of the terrestrial plasma. Although the last two improve the reconstruction of the ionospheric Faraday rotation, none of the considered models completely purge the observed residual variations. With this study, we show that the long term LOFAR observations of Faraday rotation of pulsars provide an excellent tool to test and improve models of the magneto-ionic content of the Earth’s atmosphere.
Tune in to the terrific applications of turanose
Authors: Ponnurangam Muthukumaran , Balaji Seetharaman 
Published: December 2023

AbstractTuranose, a rare sugar with low calorific value and glycemic index, used as an alternative to sucrose and other artificial sweeteners. The occurrence of turanose is in limited quantities, especially found in honey. Thus, it should be produced by either chemical or biological means. Turanose is released as a by-product during synthesis of the linear α-(1,4)-glucan from sucrose by the action of amylosucrase. In recent times, turanose attracted interest in several industries such as agricultural, food, and pharmaceuticals due to its feasible production. Hence, this review outlines about the history of turanose, its physiochemical properties, production along with inhibition and inducing effects. It is high time to tune in the terrific applications of turanose, as it retains the potential for more than a century of discovery, since 1889. These applications include detection of pathogens, facilitation of cellular respiration, regulation of inflammation, authentication of honey, phagodeterrency effects, osmoprotection, stabilization of therapeutical proteins, and edibility enhancement of foods.
Safety and pharmacokinetics of imaradenant (AZD4635) in Japanese patients with advanced solid malignancies: a phase I, open-label study
Authors: Matsubara Nobuaki , Kusuhara Shota , Yamamoto Noboru , Sudo Kazuki , Yanagita Masahiko , Murayama Kosho , Kawasumi Hisashi , Russell Deanna L. , Yin Da , Shimizu Toshio 
Published: December 2023

Abstract
Purpose
Imaradenant is a novel potent and selective adenosine A2A receptor antagonist that is hypothesized to reduce immune suppression in the tumor microenvironment. This phase I, open-label, dose-escalation study evaluated the safety, pharmacokinetics, and anti-tumor activity of imaradenant.

Methods
Japanese patients with advanced solid malignancies received imaradenant 50 mg (n = 3) or 75 mg (n = 7) once daily (QD). The primary objective was safety and tolerability, and the secondary objectives were pharmacokinetics and anti-tumor activity.

Results
The median treatment duration was 2.10 months and 2.14 months for the 50- and 75-mg QD cohorts, respectively. The most common adverse events were nausea, malaise, decreased appetite, and vomiting. Five patients (50%) reported adverse events that were considered causally related to imaradenant; three patients had Grade 2 adverse events of malaise, nausea, and diarrhea. No deaths or serious adverse events occurred. The median times of maximum observed concentrations sampled after a single dose in the 50- and 75-mg QD cohorts were 1.08 h (range, 0.95–1.95) and 2.00 h (range, 0.92–5.52), respectively. There was little accumulation after multiple dosing, with geometric mean accumulation ratios of maximum concentration of 1.3 (50-mg QD) to 1.4 (75-mg QD) and area under the concentration–time curve 0–24 of 1.4 (50-mg QD) to 1.5 (75-mg QD). The best objective response was stable disease (3/10).

Conclusion
No new or unexpected safety concerns were identified, and imaradenant had an acceptable safety profile at both 50- and 75-mg QD.
ClinicalTrials.gov identifier NCT03980821 (June 10, 2019).
Prognostic implications of thyroid disease in patients with atrial fibrillation
Authors: Vasilopoulou Anthi , Patsiou Vasiliki , Bekiaridou Alexandra , Papazoglou Andreas S. , Moysidis Dimitrios V. , Spaho Marina , Zergioti Martha , Kostakakis Dimitrios , Kyriakideli Maria-Eirini , Lampropoulou Chrysanthi-Ioanna , Kartas Anastasios , Samaras Athanasios , Baroutidou Amalia , Tzikas Apostolos , Ziakas Antonios , Giannakoulas George 
Published: December 2023

AbstractAtrial fibrillation (AF) is often accompanied by thyroid disease (THD). This study aimed to explore the relationship between THD and the occurrence of significant clinical outcomes in patients with AF. This post hoc analysis utilized data from the MISOAC-AF trial (NCT02941978), which enrolled hospitalized patients with AF. Patients were categorized based on their THD history into hyperthyroidism, hypothyroidism, or euthyroidism. Cox regression models were employed to calculate unadjusted and adjusted hazard ratios (aHRs). The primary outcomes of interest included all-cause mortality, cardiovascular death, and hospitalizations during the follow-up period. The study included 496 AF patients (mean age 73.09 ± 11.10 years) with available THD data, who were followed-up for a median duration of 31 months. Among them, 16 patients (3.2%) had hyperthyroidism, 141 (28.4%) had hypothyroidism, and 339 (68.4%) had no thyroid disease. Patients with hypothyroidism exhibited higher rates of hospitalization during follow-up (aHR: 1.57, 95% CI 1.12 to 2.20, p = 0.025) compared to the euthyroid group. Elevated levels of thyroid-stimulating hormone (TSH) were correlated with an increased risk of cardiovascular mortality (aHR: 1.03, 95% CI 1.01 to 1.05, p = 0.007) and hospitalizations (aHR: 1.06, 95% CI 1.01 to 1.12, p = 0.03). Conversely, lower levels of triiodothyronine (T3) were associated with higher risks of all-cause mortality (aHR: 0.51, 95% CI 0.31 to 0.82, p = 0.006) and cardiovascular mortality (aHR: 0.42, 95% CI 0.23 to 0.77, p = 0.005). Among patients with AF, hypothyroidism was associated with increased hospitalizations. Furthermore, elevated TSH levels and decreased T3 levels were linked to higher cardiovascular and all-cause mortality risks, respectively.
Parameterized orographic gravity wave drag and dynamical effects in CMIP6 models
Authors: Hájková Dominika , Šácha Petr 
Published: December 2023

AbstractOrographic gravity waves (OGWs) are an important mechanism for coupling of the free atmosphere with the surface, mediating the momentum and energy transport and influencing the dynamics and circulation especially in the middle-atmosphere. Current global climate models are not able to resolve a large part of the OGW spectrum and hence, OGW effects have to be parameterized in the models. Typically, the only parameterized effect is the OGW induced drag. Despite producing the same quantity as an output and relying on similar assumptions (e.g. instantaneous vertical propagation), the individual OGW parameterization schemes differ in many aspects such as handling of the orography, the inclusion of non-linear effects near the surface and the tuning of the emergent free parameters. In this study, we have reviewed 7 different parameterizations, which are used in 9 different CMIP6 models. We report pronounced differences in the vertical distribution and magnitude of the parameterized OGW drag between the models and study to what extent the inter-model differences can be traced back to the difference in the type and tuning of the schemes. Finally, we demonstrate how the OGW drag differences project to the intermodel differences in the stratospheric dynamics. The study can pave the way for a more systematic research of the OGW parameterizations in the future, with an ultimate goal of lowering the amount of uncertainty of the future climate projections connected with the parameterized effects of unresolved orography.
Recurrence rates for surgically treated insertional Achilles tendinopathy
Authors: Hörterer Hubert , Oppelt Sonja , Harrasser Norbert , Gottschalk Oliver , Böcker Wolfgang , Polzer Hans , Walther Markus , Baumbach Sebastian Felix 
Published: December 2023

Abstract
Introduction
Insertional Achilles tendinopathy (IAT) is a challenge for every orthopedic surgeon. Although surgical intervention is difficult to avoid after frustrating conservative therapy, little is known about recurrence of this disorder. Therefore the aim of the study was to assess the recurrence rate after primary IAT surgery.

Materials and methods
The authors previous published cohort on primary IAT surgery was reanalyzed. Patients with a follow-up Foot and Function Index (FFI) at one year and final follow-up were included. IAT recurrence was defined as a FFI worsening between one year and final follow-up of > 6.5 points. General demographics, surgical details, complications, and the patient reported outcome (PROM) were assessed.

Results
Out of 58 included patients (51 ± 14 years), 8 patients (14%) suffered IAT recurrence after an average of 50 ± 25 months. None of the assessed factors was predictive for an IAT recurrence.

Conclusion
IAT recurrence after primary surgery occurs in up to 14% of patients.

Level of evidence
IV, retrospective cohort study.
Revisiting the association of sudden infant death syndrome (SIDS) with polymorphisms of NHE3 and IL13
Authors: Qu Dong , Schürmann Peter , Rothämel Thomas , Fleßner Jessica , Rehberg Daniela , Dörk Thilo , Klintschar Michael 
Published: December 2023

Abstract
Objectives
Disturbances of the central nervous system and immune system are thought to play a role in sudden infant death syndrome (SIDS). Dysregulated expression of sodium (Na+)/hydrogen (H+) exchanger 3 (NHE3) in the brainstem and of interleukin 13 (IL13) in the lungs has been observed in SIDS. An association of single-nucleotide polymorphisms (SNPs) in NHE3 and IL13 with SIDS has been proposed, but controversial results were reported. Therefore, there is a need to revisit the association of SNPs in NHE3 and IL13 with SIDS.

Methods
Genotyping of rs71597645 (G1131A) and rs2247114 (C2405T) in NHE3 and rs20541 (+ 4464A/G) in IL13 was performed in 201 SIDS cases and 338 controls. A meta-analysis was performed after merging our data with previously published data (all from European populations).

Results
Polymorphisms rs2247114 (NHE3) and rs20541 (IL13) were significantly associated with SIDS overall and in multiple subgroups, but no association was found for rs71597645 (NHE3). After combining our data with previously published data, a fixed-effect meta-analysis showed that rs2247114 in NHE3 retained a significant association with SIDS under a recessive model (OR 2.78, 95%CI 1.53 to 5.06; p = 0.0008).

Conclusion
Our findings suggest an association of NHE3 variant rs2247114 (C2405T), though not rs71597645 (NHE3), with SIDS. A potential role of rs20541 (IL13) still has to be elucidated. Especially NHE3 seems to be an interesting topic for future SIDS research.