bluuebunny/crossref_metadata_2025_split huggingface dataset:
Complete modified notch functions for a welded detail of a trough bridge
Authors: Aigner Francesco , Fink Josef , Takács Patrik 
Published: July 2023

AbstractAmong the most frequent tasks occurring in railway bridge construction, there is the replacement of old structures of length up to 25 m. To reduce the own weight, old bridges are usually erected without a ballast bed. On the contrary, today railway bridges are provided with a ballast bed with a standard depth of 55 cm. As in most cases neither the top of rail can be raised nor the bottom line of the structure can be lowered, the depth of the construction itself must be kept as low as possible. An appropriate (though special‐purpose and expensive) solution is given by a trough bridge with 120 mm‐deep heavy a steel plate as road deck. This plate is connected by fillet and single‐level broad welds to the web plates. The present article deals with the fatigue verification of these welded details based on a modified formulation of notch stresses.
Interpretation of x‐ray spectral data using self‐organising maps and hierarchical clustering: A study of Vilhelm Hammershøi's use of painting materials
Authors: Pastorelli Gianluca , Ortiz Miranda Annette S. , Christensen Anne Haack 
Published: July 2023

AbstractThe goal of the Vilhelm Hammershøi Digital Archive project of the National Gallery of Denmark is to understand the Danish painter Vilhelm Hammershøi's painting methods by compiling a comprehensive amount of data on his use of materials and working methods through visual and technical examination of a large number of his paintings, and to make this information available to researchers and the public in an open access digital resource. A clear understanding of the full suite of pigments across the paintings requires determination of which materials comprise the palettes of the ground and paint layers. Scanning electron microscopy/energy‐dispersive x‐ray spectroscopy and macro x‐ray fluorescence spectroscopy were selected as the key analytical techniques due to their ability to yield chemical information at the elemental level. This article presents a method that combines unsupervised machine learning and cluster analysis techniques, to automatically reduce the large x‐ray spectral data to sets of distinct clusters that share similar spectra, making it possible to identify materials more precisely. The proposed method allowed the grouping of materials by chemical composition, which enabled an optimal understanding of the pigments used in the ground layers sampled from a large number of paintings as well as in the paint layer examined at the surface of one selected painting. The method performed well when compared with other well‐established data mining techniques, and it helped reduce the time necessary for the interpretation of the analytical results significantly. Through this approach, a basis for a more nuanced view of Hammershøi's artistic idea and technical development will be generated.
Complexes of Ni(II) with triphosphine‐phosphite ligand P(OCH2PPh2)3: syntheses, structures, and electronic properties
Authors: Beganskiene Aldona , Johnson Kevin E. , Phan Nathan A. , Dobson Timothy J. , Valente Edward J. , Urnezius Eugenijus 
Published: July 2023

AbstractIonic complexes [(κ4−PP3)P(OCH2PPh2)3NiX]BF4 (2 (X=Cl) and 3 (X=Br)) were formed when P(OCH2PPh2)3 ligand (1) was reacted with mixtures of salts NiX2/Ni(BF4)2 (X=Cl or Br). Single crystal X‐ray characterizations performed on complexes 2 and 3 established that metal centers are in pseudo‐trigonal bipyramidal ligand geometries formed by the phosphorus centers from coordinated 1 and the halide ligand. Reactions of 1 with other nickel(II) salts (acetate, nitrate or tetrafluoroborate) proceeded in 2 : 1 (ligand‐salt) ratio yielding complex 4, [(κ3−PP2)((−O−P)(OCH2PPh2)2)(κ2−PP)(−O−P)(OCH2PPh2)(OCH2P(=O)Ph2)Ni]. The formation of this complex required hydrolysis of one of the P−O ester bonds in ligand P(OCH2PPh2)3 thus forming O‐anionic phosphite/diphosphine fragment [−O−P(OCH2PPh2)2]. One of such fragments is coordinated to the metal center as a tridentate (κ3−PP2) ligand, whereas the other is in bidentate (κ2−PP) coordination via phosphorus centers of the −O‐P‐OCH2PPh2 chelating pocket; the remaining ‐OCH2P(=O)Ph2 arm is P‐oxidized and uncoordinated. Nickel center in 4 is in distorted trigonal‐bipyramidal geometry, with O‐anionic‐phosphite groups coordinated at the axial positions, and the three ‐PPh2 groups located in the equatorial plane. Compounds 2–4 were characterized by multinuclear NMR spectroscopy, elemental analyses, electron absorption spectroscopy, cyclic voltammetry, and single crystal X‐ray crystallography. Their electronic structures were also investigated by DFT methods.
Heat and mass transfer analysis for MHD non‐miscible micropolar and Newtonian fluid flow in a rectangular porous channel
Authors: Kumar Ankit , Yadav Pramod Kumar 
Published: July 2023

AbstractThe aim of the present work is to examine the entropy production characteristics, thermal profile, and flow behaviour of two non‐miscible natures of Newtonian and micropolar fluids, which take place through a rectangular porous enclosure channel. The flow region is divided into two distinct porous zones of the channel and is subjected to a constant oriented magnetic field. The Eringen's micropolar fluid is taking place in the upper porous zone, whereas in the lower porous zone, the Newtonian fluid is flowing. The wall surface of a rectangular porous channel is isothermal, and the flow of immiscible fluid through a porous channel takes place because of a constant pressure gradient. No slip condition is imposed on the static walls and continuity of vorticity, velocity, shear stress component, thermal distribution, and thermal flux are prescribed at the interface. Here, the production of entropy due to fluid friction and thermal exchange for non‐miscible Newtonian and micropolar fluids is evaluated. The characteristics of various estimated parameters on thermal and flow properties, such as Bejan number distribution, flow velocity, entropy production, and thermal profile, are discussed. The obtained results show that entropy production is directly proportional to viscous dissipation and Reynolds number, whereas it has a reverse nature with micropolarity parameter, inclination angle parameter, and Hartman number. Our results corroborate with previous published results.
Neural network‐based adaptive region tracking control for robot manipulator systems with uncertain kinematics and dynamics
Authors: Wu Mengyang , Yang Jikang , Zhang Xiaohong , Yang Weihua , Yu Jinwei 
Published: July 2023

AbstractControlling a robot manipulator system with both uncertain kinematics and dynamics is a challenging problem since the traditional control schemes that relying on the robot system models are no longer applicable. Developing a neural network‐based adaptive tracking control for such uncertain robot manipulator systems with region constraints is especially changing. In this paper, region tracking controllers are designed for a robot manipulator systems with uncertain kinematics and dynamics. The developed region tracking controllers ensures that the uncertain robot manipulator can track a moving region other than the traditional fixed point, which has better redundancy characteristics. The results are obtained through the development of the sliding‐mode and a novel proportion‐integration‐differentiation (PID)‐like method to address the region tracking control problem. Numerical simulations are presented to verify the proposed controller's performance.
Emergent unitarity, all-loop cuts and integrations from the ABJM amplituhedron
Authors: He Song , Kuo Chia-Kai , Li Zhenjie , Zhang Yao-Qi 
Published: July 2023

Abstract
We elaborate on aspects of a new positive geometry proposed recently, which was conjectured to be the four-point amplituhedron for ABJM theory. We study generalized unitarity cuts from the geometry, and in particular we prove that (1) the four-point integrand satisfies perturbative unitarity (or optical theorem) to all loops, which follows directly from the geometry, and (2) vanishing cuts involving odd-point amplitudes follow from the “bipartite” nature of the associated “negative geometries”, which justifies their appearance in ABJM theory. We also take a first step in integrating the forms of these negative geometries and obtain an infrared-finite quantity up to two loops, from which we extract the cusp anomalous dimension at leading order.
Modeling the wetting behavior of grinding wheels
Authors: Wichmann Marcel , Eden Michael , Zvegincev Dennis , Wiesener Frederik , Bergmann Benjamin , Schmidt Alfred 
Published: July 2023

AbstractHelical flute grinding is an important process step in the manufacturing of cylindrical cemented carbide tools where the use of cooling lubricants is a defining factor determining process performance. Finding optimal parameters and cooling conditions for the efficient use of lubricant is essential in reducing energy consumption and in controlling properties of the boundary zone like residual stresses. Any mathematical model describing the interactions between grinding wheel, lubricant and workpiece during the process has to account for the complex microstructure of the wheel; however, this renders the identification of parameters like slip or heat exchange coefficients numerically prohibitively expensive. In this paper, results from grinding oil droplet experiments are compared with simulation results for the wetting behavior of grinding wheels. More specifically, finite element simulations of the thin-film equation are used to identify slip parameters for different grinding wheel specifications (grain size, bonding structure, wetting status). Our results show that both the bonding and the grain size have an influence on the wetting behavior. The slip parameters that we identified account for the fluid-microstructure interactions and will be used to effectively model those interactions in more complex 3D fluid-dynamic simulations via the Beavers-Joseph condition.
On slots’ scheduling
Authors: Bogomolnaia Anna 
Published: July 2023

AbstractServer works in discrete time, and is equipped with a given sequence of per-date capacities. It has to accommodate a set of agents with unit jobs, arriving at different dates. It can process a job in several installments, however no monetary transfers are allowed. Server is given jobs’ birth dates and it only knows that agents want their jobs done as soon as possible, but not agents’ complete preferences over delays (thus, this is the model with ordinal input). We investigate how scheduling rules, coming from both assignment and queueing literature, fare in this setting. The tension between fairness and incentive compatibility, inherent to the assignment models, disappears on this domain, as both Serial and Random Priority assignment rules become strategy-proof and non-envious. This is also true for Uniform rule; but First Come First Serve or First Come Last Serve rules are not strategy-proof and generate envy.
Probing the sensitivity of ab initio multiple spawning to its parameters
Authors: Lassmann Yorick , Curchod Basile F. E. 
Published: July 2023

AbstractFull multiple spawning (FMS) offers a strategy to simulate the nonadiabatic dynamics of molecular systems by describing their nuclear wavefunctions by a linear combination of coupled trajectory basis functions (TBFs). Applying a series of controlled approximations to the full multiple spawning (FMS) equations leads to theab initiomultiple spawning (AIMS), which is compatible with an on-the-fly propagation of the TBFs and an accurate description of nonadiabatic processes. The AIMS strategy and its numerical implementations, however, rely on a series of user-defined parameters. Herein, we investigate the influence of these parameters on the electronic-state population of two molecular systems— trans-azomethane and a two-dimensional model of the butatriene cation. This work highlights the stability of AIMS with respect to most of its parameters, underlines the specific parameters that require particular attention from the user of the method, and offers prescriptions for an informed selection of their value.
Development of a sandwich ELISA for the specific quantitation of hemagglutinin (HA)-tagged proteins during their inducible expression in Escherichia coli
Authors: Yin Zihan , He Qiyi , Yang Huiyi , Morisseau Christophe , El-Sheikh El-Sayed A. , Li Dongyang , Hammock Bruce D. 
Published: July 2023

AbstractHeavy single-chain antibodies (VHH or nanobodies) are popular in the medical and analytical fields due to its small size, high solubility, stability, and other advantageous features. However, the usage of VHHs is limited by the low yield of its production and purification. In order to determine the optimal purification strategy for VHH to improve the yield, a method to monitor purification at the intermediate steps is needed. In this study, a simple, sensitive, low-cost sandwich enzyme-linked immunosorbent assay (ELISA) was developed to quantitate VHHs throughout the purification steps. Under optimized conditions, the assay has a sensitivity of 0.149 OD·mL/ng and a limit of detection (LOD) of 0.029 ng/mL. The average recoveries of the assay against the spiked samples were 101.9–106.0% and 100.7–108.0%. The method was applied to a variety of real samples for the detection of different VHHs in bacterial cell media. High amount of VHHs (up to 41.3 mg/mL), which are comparable to the average yield of VHH in standard production protocols, were detected in the media. This study raises attention to the problem of protein losses in cell culture supernatants and provides a method for the continuous detection of the protein abundance to optimize the expression and purification protocols especially for nanobodies.
Graphical abstract
Fate After the Mustard Procedure for d-Transposition of the Great Arteries: Impact of Age, Complexity, and Atrial Tachyarrhythmias: A Single Center Experience
Authors: Krause Ulrich , Teubener Sophie Theres , Müller Matthias J. , Schneider Heike E. , Paul Thomas 
Published: July 2023

AbstractPatients with dextro transposition of the great arteries (d-TGA) after atrial switch procedure are at risk to develop heart failure and arrhythmias during long-term follow-up. The present study aims to add knowledge on the fate of subjects after Mustard procedure during long-term follow-up into adulthood. A single center, retrospective chart review analysis was conducted. All subjects who had Mustard-type atrial switch procedure between 1969 and 1994 at our institution were included. A total of 92 subjects were included. Early postoperative death was reported in 2 subjects. Long-term follow-up was available in 49 survivors. Of those, 6 individuals died during further follow-up. Sudden cardiac death was the most prevalent cause for fatal outcome. Mortality during long-term follow-up was associated with the presence of additional cardiovascular malformations (complex d-TGA). Sinus node dysfunction was observed in 65% of the patients and atrial tachyarrhythmias were common in adult survivors (63%). Implantation of a pacemaker or a cardioverter defibrillator was required in 31% and 45% of those surviving into adulthood. Complications were frequently observed during follow-up after either pacemaker or cardioverter defibrillator implantation (43%) with lead failure being the most frequent complication. The aging population of patients after Mustard procedure is facing challenging problems mainly resulting from a failing systemic right ventricle, presence of associated cardiac malformations and the presence of atrial baffles associated with relevant atrial scars. Age, associated cardiac malformations, and atrial tachyarrhythmias seem to play a major role in determining the fate of patients with d-TGA after atrial switch procedures.
Tautomeric equilibrium and spectroscopic properties of 8-azaguanine revealed by quantum chemistry methods
Authors: Maciejczyk Maciej , Pyrka Maciej 
Published: July 2023

Abstract8-azaguanine is a triazolopyrimidine nucleobase analog possessing potent antibacterial and antitumor activities, and it has been implicated as a lead molecule in cancer and malaria therapy. Its intrinsic fluorescence properties can be utilized for monitoring its interactions with biological polymers like proteins or nucleic acids. In order to better understand these interactions, it is important to know the tautomeric equilibrium of this compound. In this work, the tautomeric equilibrium of all natural neutral and anionic compound forms (except highly improbable imino-enol tautomers) as well as their methyl derivatives and ribosides was revealed by quantum chemistry methods. It was shown that, as expected, tautomers protonated at positions 1 and 9 dominate neutral forms both in gas phase and in aqueous solution. 8-azaguanines methylated at any position of the triazole ring are protonated at position 1. The computed vertical absorption and emission energies are in very good agreement with the experimental data. They confirm the validity of the assumption that replacing the proton with the methyl group does not significantly change the positions of absorption and fluorescence peaks.
Biogeochemical Processes and Microbial Dynamics Governing Phosphorus Retention and Release in Sediments: A Case Study in Lower Great Lakes Headwaters
Authors: Falk Nicholas , Droppo Ian G. , Drouillard Ken G. , Weisener Christopher G. 
Published: July 2023

AbstractThe ability of headwater bed and suspended sediments to mitigate non-point agricultural phosphorus (P) loads to the lower Great Lakes is recognized, but the specific biogeochemical processes promoting sediment P retention or internal P release remain poorly understood. To elucidate these mechanisms, three headwater segments located within priority watersheds of Southern Ontario, Canada, were sampled through the growing season of 2018–2020. The study employed equilibrium P assays along with novel assessments of legacy watershed nutrients, nitrogen (N) concentrations, sediment redox, and microbial community composition. 20-year data revealed elevated total P (TP) and total Nitrogen (TN) at an inorganic fertilizer and manure fertilizer-impacted site, respectively. Overall, sampled sites acted as P sinks; however, agricultural sediments exhibited significantly lower buffering capacity compared to a reference forested watershed. Collection of fine suspended sediment (<63 µm) through time-integrated sampling showed the suspended load at the inorganic-fertilized site was saturated with P, indicating a greater potential for P release into surface waters compared to bed sediments. Through vertical microsensor profiling and DNA sequencing of the sediment microbial community, site-specific factors associated with a distinct P-source event were identified. These included rapid depletion of dissolved oxygen (DO) across the sediment water interface (SWI), as well as the presence of nitrate-reducing bacterial and ammonia-oxidizing archaeal (AOA) genera. This research provides valuable insights into the dynamics of P in headwaters, shedding light on P retention and release. Understanding these processes is crucial for effective management strategies aimed at mitigating P pollution to the lower Great Lakes.
An IQ consortium analysis of starting dose selection for oncology small molecule first-in-patient trials suggests an alternative NOAEL-based method can be safe while reducing time to the recommended phase 2 dose
Authors: Jessen Bart A. , Cornwell Paul , Redmond Sean , Visalli Thomas , Lemper Marie , Bunch Todd , Hart Timothy 
Published: July 2023

AbstractThe first-in-patient (FIP) starting dose for oncology agents should be reasonably safe and provide potential therapeutic benefit to the patient. For late-stage oncology patients, this dose is often based on the ICH S9 guidance, which was developed primarily based on experience with cytotoxic chemotherapeutic agents using the rodent STD10 or non-rodent HNSTD and an appropriate safety factor. With the increase in molecularly targeted chemotherapeutics, it is prudent to re-evaluate how the FIP dose is derived to ensure that the appropriate balance between risk and therapeutic benefit to the patient is achieved. Blinded data on 92 small molecule oncology compounds from 12 pharmaceutical companies who are members of the IQ DruSafe consortium were gathered to investigate if a NOAEL-based starting dose without a safety factor would have been tolerated in the FIP trial and if so, estimating how many dose escalation cohorts could have been reduced. Our analysis suggests that the NOAEL-based alternative starting dose would have been tolerated in most cases evaluated, with an anticipated mean reduction of 2.3 cohorts. Of the 12 cases where the alternative approach resulted in a starting dose that would have exceeded the MTD/RP2D, none of the nonclinical toxicities in these cases were considered irreversible and would be monitorable in all but one instance. Most non-tolerated cases were within two–threefold of the MTD/RP2D, with the clinical AEs considered manageable and mitigated by dose de-escalation. No one method of FIP dose calculation will likely be appropriate for all oncology small molecules and starting dose selection should be performed using a case-by-case approach. However, the NOAEL-based method that does not utilize a safety factor should be considered when appropriate to minimize the number of patients exposed to sub-therapeutic doses of an investigational oncology agent and accelerating development to RP2D.
A comparison between p16-positive head and neck cancer of unknown primary (HPV-HNCUP) and oropharyngeal squamous cell carcinoma (HPV-OPSCC): are they the same disease?
Authors: Balk Matthias , Rupp Robin , Sievert Matti , Mantsopoulos Konstantinos , Allner Moritz , Grundtner Philipp , Mueller Sarina K. , Eckstein Markus , Iro Heinrich , Hecht Markus , Gostian Antoniu-Oreste 
Published: July 2023

Abstract
Introduction
The following study aimed to answer the question if HPV-HNCUP and HPV-OPSCC are the same disease. Propensity score matching (PSM) was used to compare the oncological outcomes of both groups, in particular the 5-year overall survival rate (OS), the 5-year disease specific survival rate (DSS) and the 5-year progression free survival rate (PFS).

Materials and methods
Firstly, between January 1st, 2007, and March 31st, 2020 a total of 131 patients were treated with HNCUP at our Department. Out of these, 21 patients with a confirmed positive p16 status were referred to surgery followed by adjuvant therapy. Secondly, between January 1st, 2000, and January 31st, 2017, a total of 1596 patients were treated with an OPSSC at our Department. Out of these, 126 patients with a confirmed positive p16 status were referred to surgery followed by adjuvant therapy. After PSM, 84 patients with HPV-OPSCC and 21 HPV-HNCUP remained in the study for further comparison.

Results
The OS was 63.5% (95% CI 39.4–87.6) for HPV-HNCUP and 88.9% (95% CI 90.4–100.0) for HPV-OPSCC patients and therefore, significantly lower for the first mentioned (p = 0.013). The DSS was also significantly impaired for HPV-HNCUP (71.0%, 95% CI 46.3–95.7), in comparison with HPV-OPSCC patients (95.5%, 95% CI 90.4–100.0; p = 0.002). The PFS for HPV-HNCUP patients was lower (75.6%, 95% CI 54.0–97.2) yet not significantly different to HPV-OPSCC (90.4%, 95% CI 83.5–97.3; p = 0.067).

Conclusions
The results presented demonstrate a significant reduced OS and DSS for HPV-HNCUP patients. Accordingly, in our study HPV-HNCUP and HPV-OPSCC are two different entities with a different oncological outcome.