bluuebunny/crossref_metadata_2025 huggingface dataset:
Children's Oncology Group's 2023 blueprint for research: Bone tumors
Authors: Reed Damon R. , Grohar Patrick , Rubin Elyssa , Binitie Odion , Krailo Mark , Davis Jessica , DuBois Steven G. , Janeway Katherine A.
Published: July 2023

The Children's Oncology Group (COG) Bone Tumor Committee is responsible for clinical trials and biological research on localized, metastatic, and recurrent osteosarcoma and Ewing sarcoma (EWS). Results of clinical trials in localized disease completed and published in the past 10 years have led to international standard‐of‐care chemotherapy for osteosarcoma and EWS. A recent focus on identifying disease subgroups has led to the identification of biological features associated with poor outcomes including the presence of circulating tumor DNA (ctDNA) at diagnosis, and specific genomic alterations—MYC amplification for osteosarcoma and STAG2 and TP53 mutation for EWS. Studies validating these potential biomarkers are under way. Clinical trials evaluating the addition of multitargeted kinase inhibitors, which are active in relapsed bone sarcomas, to standard chemotherapy are under way in osteosarcoma and planned in EWS. In addition, the Committee has data analyses and a clinical trial under way to evaluate approaches to local management of the primary tumor and metastatic sites. Given the rarity of bone sarcomas, we have prioritized international interactions and are in the process of forming an international data‐sharing consortium to facilitate refinement of risk stratification and study of rare disease subtypes.
Thermal expansion of high‐density polyethylene in hot plate welding applications
Authors: Novakovic Boris , Kashkoush Mohamed , ElMaraghy Hoda
Published: July 2023

This research studies high‐density polyethylene (HDPE) behavior that is not easily identifiable in a production setting, but is, nevertheless, necessary for consideration when specifying equipment performance for hot plate welding (HPW) applications. Thermal expansion in polymers can depend on several factors, such as the specific type of polymer, its degree of cross‐linking, and the temperature range over which the expansion occurs. This physical behavior can affect the process by prolonging the cycle time if the equipment is not sized correctly for the application. This research uses HDPE samples with different surface areas and varying process parameters (force and temperature) to collect data on the sample size change. Experimental results are compared with a recommended industrial guideline of 0.2 to 0.5 MPa of pressure for the Matching stage (stage for surface conformation). Obtained findings indicate that this industrial guideline is very temperature dependent. Data collected in the experiment were used to develop a mathematical model for thermal expansion under different parameters. This study also presents a visual interpretation of HDPE behavior on the effect of temperature if the pressure is increased or decreased.
Did prepandemic perceptions of school climate protect students' internalizing symptoms during COVID‐19 school closures?
Authors: Gilbertson Megan , Pyun Yoonsun , Laffoon Riley , Jeong Ruth , Ogg Julia , Demaray Michelle , Malecki Christine
Published: July 2023

The global COVID‐19 pandemic significantly disrupted educational environments for all students when the majority of schools in the United States abruptly switched to remote learning. School climate, including support and structure, has been recognized as an important construct that influences student functioning. The current study explored student perceptions of school climate before school disruptions as a potential protective factor against negative outcomes during the pandemic. Middle school students (N = 225) completed assessments of their perceptions of school climate in Fall 2019 and self‐reported internalizing symptoms in Spring 2020. Structural equation modeling was used to test both the association and directionality between school climate and internalizing symptoms. Positive perception of school climate before the pandemic was significantly associated with less internalizing symptoms during initial school closures, particularly for girls. The results highlight the importance of school climate in students' mental health, especially during periods of stress. Limitations and future directions are discussed.
Biological Production of Gold Nanoparticles at Different Temperatures: Efficiency Assessment
Authors: Pourali Parastoo , Svoboda Milan , Benada Oldřich , Dzmitruk Volha , Benson Veronika
Published: July 2023

The study aims to compare different approaches and efficacies during the biological production of nanoparticles (NPs). Gold nanoparticles (AuNPs) are produced by Fusarium oxysporum at two different temperatures. One flask is incubated at 37 °C (“Common”) and the other is directly heated for 5 min at 80 °C (“Heat‐treated”). Obtained AuNPs are analyzed and compared by spectrophotometry, transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive X‐ray spectroscopy (EDS), dynamic light scattering (DLS), and Fourier transform infrared spectroscopy (FTIR). Graphite furnace atomic absorption spectroscopy (GF‐AAS) is used to determine the particle concentration after the AuNPs production. The AuNPs prepared by both (the Common and the Heat‐treated) methods exhibit maximum absorption peaks at 541 and 528 nm, respectively, and have round shapes and sizes of less than 50 nm. Their zeta potential is about −28 mV. GF‐AAS shows that the efficiency of AuNP production in Common‐ and Heat‐treated samples is equal, between 65% and 68%. Since the Heat‐treated sample shows a better size distribution, the use of higher temperature and shorter time period is preferable for the bioproduction of AuNPs. It seems that shortening the time for the production of AuNPs prevents the formation of larger NPs.
Unsupervised home spirometry is not equivalent to supervised clinic spirometry in children and young people with cystic fibrosis: Results from the CLIMB‐CF study
Authors: Edmondson Claire , Westrupp Nicole , Short Christopher , Seddon Paul , Olden Catherine , Wallis Colin , Brodlie Malcolm , Baxter Francis , McCormick Jonathan , MacFarlane Susan , Brooker Richard , Connon Margaret , Ghayyda Salim , Blaikie Lesley , Thursfield Rebecca , Brown Lynsey , Price April , Fleischer Erin , Hughes Daniel , Donnelly Christine , Rosenthal Mark , Wallenburg John , Brownlee Keith , Alton Eric W. F. W. , Bush Andrew , Davies Jane C.
Published: July 2023

Background

Handheld spirometry allows monitoring of lung function at home, of particular importance during the COVID‐19 pandemic. Pediatric studies are unclear on whether values are interchangeable with traditional, clinic‐based spirometry. We aimed to assess differences between contemporaneous, home (unsupervised) and clinic (supervised) spirometry and the variability of the former. The accuracy of the commercially available spirometer used in the study was also tested.

Methods

Data from participants in the Clinical Monitoring and Biomarkers to stratify severity and predict outcomes in children with cystic fibrosisc (CLIMB‐CF) Study aged ≥ 6 years who had paired (±1 day) clinic and home forced expiratory volume in 1 s (FEV1) readings were analyzed. Variability during clinical stability over 6‐months was assessed. Four devices from Vitalograph were tested using 1 and 3 L calibration syringes.

Results

Sixty‐seven participants (median [interquartile range] age 10.7 [7.6−13.9] years) provided home and clinic FEV1 data pairs. The mean (SD) FEV1% bias was 6.5% [±8.2%]) with wide limits of agreement (−9.6% to +22.7%); 76.2% of participants recorded lower results at home. Coefficient of variation of home FEV1% during stable periods was 9.9%. Data from the testing of the handheld device used in CLIMB‐CF showed a potential underread.

Conclusion

In children and adolescents, home spirometry using hand‐held equipment cannot be used interchangeably with clinic spirometry. Home spirometry is moderately variable during clinical stability. New handheld devices underread, particularly at lower volumes of potential clinical significance for smaller patients; this suggests that supervision does not account fully for the discrepancy. Opportunities should be taken to obtain dual device measurements in clinic, so that trend data from home can be utilized more accurately.
New TKX‐55‐based heat resistant microspheres
Authors: Lin Zhengxu , Zhang Zhongze , Gao Fubing , Zhou Peng , Liu Yi , Hou Yuqing , An Chongwei , Wang Jingyu , Wu Bidong
Published: July 2023

Composite microspheres of TKX‐55 and fluororubber were prepared by microfluidic method. The binding energy and mechanical properties were calculated by Materials studio, F2604 was determined as the binder. The particle size of the composite microspheres is between 100 and 200 μm, the bulk density, impact sensitivity and theoretical detonation velocity have made considerable progress. The combustion performance of the composite was characterized. It was found that the addition of fluororubber could inhibit the combustion of TKX‐55 and improve the safety of the composite. TKX‐55 has the potential to be used as the main explosive component of the new heat‐resistant PBX.
Green synthesis, characterization, and biochemical impacts of new bioactive isoxazoline‐sulfonamides as potential insecticidal agents against the Sphodroxia maroccana Ley
Authors: El Mahmoudi Ayoub , Fegrouche Rachida , Tachallait Hamza , Lumaret Jean‐Pierre , Arshad Suhana , Karrouchi Khalid , Bougrin Khalid
Published: July 2023

BACKGROUND

Sphodroxia maroccana Ley is a pest of cork oak crops that damages the roots of seedlings and can severely impair cork oak regeneration. Since the banning of carbosulfan and chlorpyriphos, which were widely used against the larvae of Sphodroxia maroccana because of their harmful impact on the environment, until now there has been no pesticide against these pests. Therefore, it is particularly urgent to develop highly effective insecticidal molecules with novel scaffolds. Isoxazolines are a class of insecticides that act on γ‐aminobutyric acid (GABA)‐gated chloride channel allosteric modulators. In this work, a green synthesis of novel 3,5‐disubstituted isoxazoline‐sulfonamide derivatives was achieved in water via ultrasound‐assisted four‐component reactions, and their insecticidal activities against fourth‐instar larvae of S. maroccana were evaluated.

RESULTS

Most of the tested compounds showed insecticidal activity compared to fluralaner as positive control and commercially available insecticide. Especially, the isoxazoline‐secondary sulfonamides containing halogens (Br and Cl) on the phenyl group attached to the isoxazoline, 6g (LC50 = 0.31 mg/mL), 6j (LC50 = 0.38 mg/mL), 6k (LC50 = 0.18 mg/mL), 6L (LC50 = 0.49 mg/mL), 6m (LC50 = 0.24 mg/mL), 6q (LC50 = 0.46 mg/mL), exhibited much higher larvicidal activity than fluralaner (LC50 = 0.99 mg/mL).

CONCLUSION

Novel isoxazolines containing sulfonamide moieties were designed, synthesized and confirmed by two single‐crystal structures of 4e and 6q. Their bioassay results showed significant larvicidal activity with significant morphological changes in vivo. These results will lay the foundation for the further discovery and development of isoxazoline‐sulfonamide derivatives as novel crop protection larvicides of cork oak. © 2023 Society of Chemical Industry.
Antimicrobial peptides for novel antiviral strategies in the current post‐COVID‐19 pandemic
Authors: Loffredo Maria Rosa , Nencioni Lucia , Mangoni Maria Luisa , Casciaro Bruno
Published: July 2023

The recent pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has highlighted how urgent and necessary the discovery of new antiviral compounds is for novel therapeutic approaches. Among the various classes of molecules with antiviral activity, antimicrobial peptides (AMPs) of innate immunity are among the most promising ones, mainly due to their different mechanisms of action against viruses and additional biological properties. In this review, the main physicochemical characteristics of AMPs are described, with particular interest toward peptides derived from amphibian skin. Living in aquatic and terrestrial environments, amphibians are one of the richest sources of AMPs with different primary and secondary structures. Besides describing the various antiviral activities of these peptides and the underlying mechanism, this review aims at emphasizing the high potential of these small molecules for the development of new antiviral agents that likely reduce the selection of resistant strains.
Reviewing and clarifying the derivation of the hydrostatic primitive equations
Authors: Staniforth Andrew , White Andy
Published: July 2023

Having adopted a spherical geopotential approximation, textbooks generally derive the hydrostatic primitive equations from the fully compressible Euler equations by making three further approximations—usually termed “hydrostatic”, “shallow”, and “traditional”. However, the derivation given by Phillips in 1966 indicates that the traditional approximation is one of the consequences of the consistently applied shallow approximation. This is demonstrated here without recourse to the “vector‐invariant” form of the momentum equation used by him. This new derivation is not only simpler, but also in accord with the known existence of a quartet of dynamically consistent models, depending on whether approximations of shallow and/or hydrostatic type are or are not made in the fully compressible Euler equations in spherical geometry. A brief survey of other derivation strategies is given. To provide further insight, this includes the approximation of Lagrangian density—a scalar quantity—followed by application of either Hamilton's principle or the Euler–Lagrange equations. Relatedly, the consistent specific forms of the spherical geopotential approximation for the (deep) Euler equations and for the (shallow) hydrostatic primitive equations are obtained and discussed. The analysis herein can be generalised to spheroidal geometry. This is of interest, since the Earth is more realistically represented as an oblate spheroid than as a sphere, and opens the way to the development of more accurate dynamical cores for global atmospheric and oceanic modelling.
Adaptive finite time command filtered backstepping control design for a class of uncertain full state constrained strict‐feedback nonlinear systems
Authors: Soukkou Yassine , Tadjine Mohamed , Nibouche Mokhtar
Published: July 2023

This article investigates an adaptive finite time command filtered backstepping control design for a class of uncertain full state constrained strict‐feedback nonlinear systems. The proposed adaptive control strategy is constructed by combining the barrier Lyapunov functions (BLFs), the adaptive command filtered backstepping control method and the finite time control theory. The BLFs are utilized to overcome the violation of the full state constraints. The proposed adaptive control approach is introduced to avoid the problem of the explosion of complexity and the compensating signals are designed to eliminate the influence of the filtering errors caused by the command filters. Moreover, based on the Lyapunov stability theory, it is proved that all the signals of the closed‐loop system are practical finite time stable and the full state constraints are not violated. To verify the efficiency of the proposed adaptive control scheme, simulation results are provided for electromechanical system.
Stimuli‐responsive photonic actuators for integrated biomimetic and intelligent systems
Authors: Gao Jingjing , Tang Yuqi , Martella Daniele , Guo Jinbao , Wiersma Diederik S. , Li Quan
Published: July 2023

Photonic actuators, serving as an emerging kind of intelligent stimuli‐responsive material, can exhibit the abilities to change their structural colors/fluorescence and shapes under specific external stimuli, which have demonstrated essential applications in the fields of intelligent soft robotics, sensors, bionics, information storage, anti‐counterfeiting, and energy harvesting. In this review, we reported the state‐of‐the‐art research progress of stimuli‐responsive photonic actuators classified on the basis of the material type and focusing on the actuation mechanisms, design principles, and processing techniques. We also broadly summarized the relative applications of photonic actuators in bionics, intelligent robots, sensors, and so on. Finally, a vision for the challenges in the area and future promising directions of stimuli‐responsive photonic actuators is presented.
Global lessons from local actions: A typology of polish local government approaches to sustainable development
Authors: Boguszewski Rafał , Piłat Adam , Węgrzyn Paweł
Published: July 2023

Our study aimed to distinguish between different groups of local governments using two dimensions: awareness and commitment to sustainability. Our survey addressed all local governments in Poland, and the survey response rate was close to 25% (N = 718). In the first step, we analysed the dimensions of local governments committed to sustainability, which local authorities attribute importance to. In the next step, we created an index of awareness of the importance and an index of local government's involvement in activities for sustainable development. The combination of the awareness and involvement indices allows distinguishing three separate groups (clusters) of local governments: those that are aware and involved (22.2% of the total), those that are aware and not involved (39.5%) and those that are unaware and not involved (38.3%). Moreover, the empirical results show a relationship between the financial situation of local governments and their allocation to a particular cluster.
From Material to Cameras: Low‐Dimensional Photodetector Arrays on CMOS
Authors: Ansari Samaneh , Bianconi Simone , Kang Chang‐Mo , Mohseni Hooman
Published: July 2023

The last two decades have witnessed a dramatic increase in research on low‐dimensional material with exceptional optoelectronic properties. While low‐dimensional materials offer exciting new opportunities for imaging, their integration in practical applications has been slow. In fact, most existing reports are based on single‐pixel devices that cannot rival the quantity and quality of information provided by massively parallelized mega‐pixel imagers based on complementary metal‐oxide semiconductor (CMOS) readout electronics. The first goal of this review is to present new opportunities in producing high‐resolution cameras using these new materials. New photodetection methods and materials in the field are presented, and the challenges involved in their integration on CMOS chips for making high‐resolution cameras are discussed. Practical approaches are then presented to address these challenges and methods to integrate low‐dimensional material on CMOS. It is also shown that such integrations could be used for ultra‐low noise and massively parallel testing of new material and devices. The second goal of this review is to present the colossal untapped potential of low‐dimensional material in enabling the next‐generation of low‐cost and high‐performance cameras. It is proposed that low‐dimensional materials have the natural ability to create excellent bio‐inspired artificial imaging systems with unique features such as in‐pixel computing, multi‐band imaging, and curved retinas.
Complete modified notch functions for a welded detail of a trough bridge
Authors: Aigner Francesco , Fink Josef , Takács Patrik
Published: July 2023

Among 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.
A Novel Small Disturbance Stochastic Stability Analysis Method Based on Entropy
Authors: Zhong Zhenfang , Sun Hao , Meng Qingwei , He Zhongbin
Published: July 2023

Power system stability has become an increasing concern in renewable power integration because the active power generated by renewable energy varies randomly. Thus, we focus on random outside excitations in this study. Since the power obeys Non‐Gaussian distribution in most case, a novel small disturbance stochastic stability analysis method based on entropy is presented. First, the dynamic model of power system with random outside excitation is established by stochastic differential equation. Then, the values of mean and mean square stability are efficiently derived by transforming the stochastic differential equation into a deterministic mean or variance equation. For non‐Gaussian disturbance, entropy stability is presented by this transformation. At last, the numerical simulations are presented on a WSCC three‐generator nine‐bus power system with a wind farm © 2023 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.
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

The 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

Ionic 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

The 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

Controlling 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

Helical 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

Server 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

Full 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

Heavy 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

Patients 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

8-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

The 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

The 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

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.
Higher striatal glutamate in male youth with internet gaming disorder
Authors: Klar Johanna , Slotboom Johannes , Lerch Stefan , Koenig Julian , Wiest Roland , Kaess Michael , Kindler Jochen
Published: July 2023

Internet gaming disorder (IGD) was included in the Diagnostic and Statistical Manual of Mental Disorders (DSM-5) as a research diagnosis, but little is known about its pathophysiology. Alterations in frontostriatal circuits appear to play a critical role in the development of addiction. Glutamate is considered an essential excitatory neurotransmitter in addictive disorders. This study’s aim was to investigate striatal glutamate in youth with IGD compared to healthy controls (HC). Using a cross-sectional design, 25 adolescent male subjects fulfilling DSM-5 criteria for IGD and 26 HC, matched in age, education, handedness and smoking, were included in the analysis. A structural MPRAGE T1 sequence followed by a single-voxel magnetic resonance spectroscopy MEGA-PRESS sequence (TR = 1500 ms, TE = 68 ms, 208 averages) with a voxel size of 20 mm3 were recorded on 3 T Siemens Magnetom Prisma scanner. The voxel was placed in the left striatum. Group comparison of the relative glutamate and glutamine (Glx) was calculated using regression analysis. IGD subjects met an average of 6.5 of 9 DSM-5 IGD criteria and reported an average of 29 h of weekly gaming. Regression analysis showed a significant group effect for Glx, with higher Glx levels in IGD as compared to HC (coef. = .086, t (50) = 2.17, p = .035). Our study is the first to show higher levels of Glx in the striatum in youth with IGD. The elevation of Glx in the striatum may indicate hyperactivation of the reward system in IGD. Thus, results confirm that neurochemical alterations can be identified in early stages of behavioral addictions.
New insights on circumscribed choroidal hemangioma: “bench to bedside”
Authors: Lupidi Marco , Centini Chiara , Castellucci Greta , Nicolai Michele , Lassandro Nicola , Cagini Carlo , Rizzo Clara , Chhablani Jay , Mariotti Cesare
Published: July 2023

Circumscribed choroidal hemangioma is a rare vascular hamartoma of the choroid, presenting as a red–orange mass at the posterior pole on fundoscopic examination. Despite its benign origin, associated complications such as subretinal fluid, serous retinal detachment, retinoschisis and neovascular glaucoma may lead to serious visual impairment in more than half patients. Because of its similarity to amelanotic choroidal melanoma and choroidal metastasis, differential diagnosis is still challenging for specialists. Multimodal imaging such as ultrasonography, fluorescein angiography, indocyanine green angiography, optical coherence tomography, and optical coherence tomography angiography guides the clinician to the correct diagnosis and the proper follow-up. Treatment is indicated in symptomatic cases in order to resolve exudation and improve visual acuity. Treatment options include photocoagulation, transpupillary thermotherapy, radiation therapy, photodynamic therapy and anti-vascular endothelial growth factor therapy. Currently, photodynamic therapy is the treatment of choice due to its effectiveness and safety. The purpose of this review is to describe the latest knowledge in the etiopathogenesis of the circumscribed choroidal hemangioma, the most recent multimodal imaging findings, and the available treatment options.