bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lyotropic Nematic Phases of Isotropic Nanoparticles via Semiflexible Polymer Ligands
Authors: Wong Jessie , Toader Violeta , Reven Linda 
Published: January 2023

AbstractLyotropic liquid crystalline (LC) nanomaterials are normally achieved through particle shape anisotropy. Herein, it is shown that lyotropic nematic rather than cubic phases are produced from spherical nanoparticles (NPs) with semi‐flexible polymer ligands. ZrO2 nanocrystals (4 nm dia.) are coated with a dense shell of poly(hexyl isocyanate) (PHIC), a helical rod‐like polymer that forms lyotropic LC phases in a range of organic solvents. Solvent casted NPs with PHIC ligands above the persistence length form linear assemblies, separated by a characteristic distance related to the chain length while NPs with shorter, rigid rod PHIC ligands pack hexagonally. Concentrated NP‐PHIC dispersions present nematic textures similar to the free PHIC nematic solutions but at lower critical concentrations, widening the isotropic‐nematic biphasic region. 2H NMR spectra of the NPs dispersed in a deuterated solvent display quadrupolar splittings that increase with NP concentration, showing that the PHIC ligands are magnetically aligned. The high degree of orientation order is evidence that splaying of the ligand shell transforms the spherical NPs to rod‐like shapes that assemble to produce nematic lyotropic LC phases and linear NP arrays. This approach to creating anisotropic assemblies can be extended to other types of spherical NPs and semiflexible polymers.
Realization of the inverse scattering transform method for the Korteweg–de Vries equation
Authors: Grudsky Sergei M. , Kravchenko Vladislav V. , Torba Sergii M. 
Published: January 2023

A method for practical realization of the inverse scattering transform method for the Korteweg–de Vries equation is proposed. It is based on analytical representations for Jost solutions and for integral kernels of transformation operators obtained recently. The representations have the form of functional series in which the first coefficient plays a crucial role both in solving the direct scattering and the inverse scattering problems. The direct scattering problem reduces to computation of a number of the coefficients following a simple recurrent integration procedure with a posterior calculation of scattering data by well known formulas. The inverse scattering problem reduces to a system of linear algebraic equations from which the first component of the solution vector leads to the recovery of the potential. We prove the applicability of the finite section method to the system of linear algebraic equations and discuss numerical aspects of the proposed method. Numerical examples are given, which reveal the accuracy and speed of the method.
A Review on Dietary Flavonoids as Modulators of the Tumor Microenvironment
Authors: Duan Namin , Hu Xiaohui , Zhou Rui , Li Yuru , Wu Wenhui , Liu Ning 
Published: January 2023

AbstractThe tumor microenvironment (TME) is the local environment where malignant cells strive and survive, composed of cancer cells and their surroundings, regulating essential tumor survival, and promotion functions. Dietary flavonoids are abundantly present in common vegetables and fruits and exhibit good anti‐cancer activities, which significantly inhibit tumorigenesis by targeting TME constituents and their interaction with cancer cells. This review aims to synthesize information concerning the modulation of TME by dietary flavonoids, as well as to provide insights into the molecular basis of its potential anti‐tumor activities, with an emphasis on its ability to control intracellular signaling cascades that regulate the TME processes, involving cell proliferation, invasion and migration, continuous angiogenesis, and immune inflammation. This study will provide a theoretical basis for the development of the leading compound targeting TME for anti‐cancer therapies from these dietary flavonoids.
The United States Department of Energy and National Institutes of Health Collaboration: Medical Care Advances via Discovery in Physical Sciences
Authors: Keppel Cynthia , Weisenberger Andrew , Atanasijevic Tatjana , Wang Shumin , Zubal George , Buchsbaum Jeffrey , Brechbiel Martin , Capala Jacek , Escorcia Freddy , Obcemea Ceferino , Boehnlein Amber , Heyes Graham , Bourne Philip , Cherry Simon , Colby Eric , El Fakhri Georges , Gillo Jehanne , Gropler Robert , Gueye Paul , Tourassi Georgia , Peggs Steve , Woody Craig 
Published: January 2023

AbstractOver several months, representatives from the U.S. Department of Energy (DOE) Office of Science and National Institutes of Health (NIH) had a number of meetings that lead to the conclusion that innovations in the Nation's health care could be realized by more directed interactions between NIH and DOE. It became clear that the expertise amassed and instrumentation advances developed at the DOE physical science laboratories to enable cutting‐edge research in particle physics could also feed innovation in medical healthcare. To meet their scientific mission, the DOE laboratories created advances in such technologies as particle beam generation, radioisotope production, high‐energy particle detection and imaging, superconducting particle accelerators, superconducting magnets, cryogenics, high‐speed electronics, artificial intelligence, and big data. To move forward, NIH and DOE initiated the process of convening a joint workshop which occurred on July 12th and 13th, 2021. This Special Report presents a summary of the findings of the collaborative workshop and introduces the goals of the next one.
Image‐based isogeometric twins of lattices with virtual image correlation for varying cross‐section beams
Authors: Passieux Jean‐Charles , Bouclier Robin , Weeger Oliver 
Published: January 2023

AbstractCellular materials, in particular metal or polymer foams and beam lattices, are characterized by a complex architecture where the material is concentrated in slender struts. This study is concerned with the construction of numerically efficient sample‐specific digital twin for the analysis and characterization of the mechanical behavior of such meta‐materials. A method to build an explicit, light, and analysis‐suitable isogeometric beam model directly from digital images is proposed. More precisely, as a main contribution, the virtual image correlation method is extended to the case of multiple interconnected beams with varying cross‐sections. Special care is also given to the initialization for better efficiency and robustness. Synthetic and real examples of increasing complexity, that is, curved beams, lattices, and foams, are presented to account for the performance of the developed workflow from digital images to an isogeometric twin for mechanical modeling and simulation.
Functional Outcome After Simultaneous Vestibular Schwannoma Resection and Cochlear Implantation With Intraoperative Cochlear Nerve Monitoring
Authors: Gadenstaetter Anselm Joseph , Auinger Alice Barbara , Gerlitz Matthias , Riss Dominik , Dahm Valerie , Yildiz Erdem , Roessler Karl , Matula Christian , Arnoldner Christoph 
Published: January 2023

AbstractObjectiveElectrically evoked auditory brainstem response audiometry has emerged as a suitable option to intraoperatively assess cochlear nerve function during vestibular schwannoma resection. This study aimed to analyze the functional outcome and implant usage of patients with preserved auditory nerve responses after simultaneous translabyrinthine schwannoma resection and cochlear implantation.Study DesignProspective study.SettingTertiary referral center.MethodsPatients with unilateral sporadic vestibular schwannoma underwent translabyrinthine tumor resection. Intraoperatively, electrically evoked auditory brainstem response audiometry was performed before and after tumor removal. Cochlear implantation was carried out if positive responses were detected after tumor removal indicating cochlear nerve function. Postoperatively, patients were biannually followed‐up to assess aided sound field audiometry and word recognition as well as implant usage.ResultsOverall, 26 patients with vestibular schwannoma underwent translabyrinthine schwannoma resection. Out of these patients, 15 had positive cochlear nerve responses after tumor removal and concurrently received a cochlear implant. In 13 patients with histologically confirmed vestibular schwannoma, hearing improved by 23.7 ± 33.2 decibels and word recognition by 25.0 ± 42.4% over a mean follow‐up period of 18 months. Overall, 12 included patients were regular cochlear implant users.ConclusionPatients with vestibular schwannoma can benefit substantially from cochlear implantation. Intraoperative assessment of cochlear nerve function using electrically evoked auditory brainstem response audiometry can help to better identify individuals eligible for simultaneous vestibular schwannoma resection and cochlear implantation.
A GC–MS and LC–HRMS perspective on the chemotaxonomic investigation of the natural hybrid Origanum × lirium and its parents, O. vulgare subsp. hirtum and O. scabrum
Authors: Petrakis Eleftherios A. , Mikropoulou Eleni V. , Mitakou Sofia , Halabalaki Maria , Kalpoutzakis Eleftherios 
Published: January 2023

AbstractIntroductionThe genus Origanum L. (Lamiaceae) is widespread in the Mediterranean region. However, approximately 75% of the species are only encountered in the eastern part. Out of these, a total of nine species (11 taxa) and three natural hybrids occur in Greece. Nevertheless, so far, there is no consensus regarding their precise botanical classification in the literature. In fact, the taxon Origanum × lirium has been proposed both as a separate species as well as natural hybrid between Origanum vulgare subsp. hirtum and Origanum scabrum.ObjectivesIn this scope, the aim of the current study is to shed light on the matter through the investigation of the chemical composition of both the essential oils and the polar extracts of the mentioned taxa, collected from different geographical regions of Greece.ResultsAs it was demonstrated by both gas chromatography–mass spectrometry (GC‐MS) and liquid chromatography–high‐resolution mass spectrometry (LC–HRMS) data, and highlighted by our comparative analysis, it can be stipulated that Origanum × lirium shares its chemotype to a large extent with its parent species concerning both volatile and polar constituents. Additionally, geographical origin conditions stood out as a key factor influencing their chemical composition.ConclusionAltogether, the present work provides useful information on the chemical composition of the taxa under investigation, while our findings support the opinion that Origanum × lirium should be considered not as a separate species, but rather as a hybrid on the way to becoming a species.
Reduced gamma oscillation during visual processing of the mother's face in children with autism spectrum disorder: A pilot study
Authors: Hasegawa Chiaki , Ikeda Takashi , Yoshimura Yuko , Kumazaki Hirokazu , Saito Daisuke N. , Yaoi Ken , An Kyung‐Min , Takahashi Tetsuya , Hirata Masayuki , Asada Minoru , Kikuchi Mitsuru 
Published: January 2023

AbstractAimThis study aimed to investigate gamma oscillations related to face processing of children with autism spectrum disorders and typically developed children using magnetoencephalography.MethodsWe developed stimuli that included naturalistic real‐time eye‐gaze situations between participants and their mothers. Eighteen young children with autism spectrum disorders (62−97 months) and 24 typically developed children (61−79 months) were included. The magnetoencephalography data were analyzed in the bilateral banks of the superior temporal sulcus, fusiform gyrus, and pericalcarine cortex for frequency ranges 30–59 and 61–90 Hz. The gamma oscillation normalized values were calculated to compare the face condition (children gazing at mother's face) and control measurements (baseline) using the following formula: (face − control)/(face + control).ResultsThe results revealed significant differences in gamma oscillation normalized values in the low gamma band (30–59 Hz) in the right banks of the superior temporal sulcus, right fusiform gyrus, and right pericalcarine cortex between children with autism spectrum disorders and typically developed children. Furthermore, there were significant differences in gamma oscillation normalized values in the high gamma band (61–90 Hz) in the right banks of the superior temporal sulcus, bilateral fusiform gyrus, and bilateral pericalcarine cortex between the groups.ConclusionThis report is the first magnetoencephalography study revealing atypical face processing in young children with autism spectrum disorders using relevant stimuli between participants and their mothers. Our naturalistic paradigm provides a useful assessment of social communication traits and a valuable insight into the underlying neural mechanisms in children with autism spectrum disorders.
Improving emotion regulation in breast cancer patients in the early survivorship period: Efficacy of a brief ecologically boosted group intervention
Authors: Merckaert Isabelle , Waroquier Pauline , Caillier Marie , Verkaeren Oriane , Righes Sadio , Liénard Aurore , Libert Yves , Kristanto Paulus , Razavi Darius 
Published: January 2023

AbstractPurposeThis study reports the short‐ and mid‐term benefits of an eight‐session emotion and self‐regulation group intervention ecologically boosted through daily app‐based prompts. The intervention was designed for breast cancer patients in the early survivorship period meeting criteria for clinical levels of psychological symptoms.MethodsPatients were randomly assigned to the immediate intervention arm (n = 61; intervention received immediately) or to the delayed intervention arm (n = 59; intervention received 5 months later). Psychological symptoms, including anxiety, depressive symptoms, emotional distress, fear of cancer recurrence (FCR), worry, and intrusive thoughts were assessed through questionnaires. Emotion regulation was assessed in a dynamic emotion regulation task and in everyday life. Assessments were completed at baseline (T1), 5 months (T2) and 10 months (T3) later.ResultsTreated patients reported lower levels of worry and intrusive thoughts. They improved their ability to down‐regulate the intensity of their negative emotions when exposed to cancer‐related triggers in the dynamic emotion regulation task. They reported fewer and less intense negative emotions and more positive emotions in their everyday life. Benefits were maintained 5 months later, except for positive emotions in everyday life.ConclusionsThe results showed that focusing on emotion regulation is a relevant approach in the treatment of psychological symptoms for breast cancer patients in the early survivorship period meeting criteria for clinical levels of psychological symptoms. The intervention led to changes in patients' dynamic and everyday life emotion regulation. Consolidation sessions may be needed to sustain benefits in positive emotions and to increase the effect sizes.
Immediate and delayed movement of resistant and susceptible adults of Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae) after short exposures to phosphine
Authors: Morrison William R , Brabec Daniel , Bruce Alexander , Arthur Frank H , Athanassiou Christos G 
Published: January 2023

AbstractBACKGROUNDDuring the last decade, the evaluation of certain behavioral attributes has been utilized as an indicator of resistance to phosphine. In this context, an underappreciated challenge may be the development of behavioral traits that are related with resistance to phosphine such as the movement to refugia and recovery of stored product insects after short exposures. Thus, the aim of the current study was to track the movement of phosphine‐resistant and ‐susceptible adults of the red flour beetle, Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae), which is a major pest of stored products, after brief exposures to phosphine. Exposures were followed for extended intervals to assess the recovery patterns and how those patterns are related to known resistance to phosphine. A video‐tracking procedure coupled with Ethovision software was used to assess movement after exposure.RESULTSOverall, we found baseline movement was less for phosphine‐resistant T. castaneum, suggesting resistance comes at a considerable fitness cost. In the presence of phosphine (1000 or 3000 ppm), there was a much greater reduction in movement for phosphine‐susceptible than phosphine‐resistant T. castaneum adults immediately after brief 5‐min exposures. Twenty‐four hours later, these effects were more variable and less apparent, regardless of the susceptibility level.CONCLUSIONSThe initial knockdown associated with successful fumigation may just be a temporary state whereafter insects shortly resume movement and may be able to seek out refugia from phosphine, thereby promoting the development of resistance. Our results strengthen a growing consensus that it is the speed to knockdown that truly matters, with quick knockdown indicating slow recovery and a reduced likelihood for the occurrence of resistance. © 2023 Society of Chemical Industry. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
Estimating minimum required dwell time for the heat sealing of talc containing polypropylene/low‐density polyethylene packaging films
Authors: Ilhan Ilknur , van Drongelen Martin , ten Klooster Roland , Gibson Ian 
Published: January 2023

AbstractDwell time is one of the main parameters influencing heat seal quality and process efficiency in flexible packaging. In this study, the rheological behaviour of polypropylene (PP)/low‐density polyethylene (PE‐LD)‐based compound films containing different ratios of talc was examined. The minimum dwell time required to supply a sufficient sealing was estimated based on heat conduction time and reptation time. Reptation is a rheological concept used to described the behaviour of a polymer melt, and the reptation time is the time required for a molecule to escape from its surrounded entangled structure. The results showed that increased levels of talc are associated with elevated complex viscosities, storage and loss modulus as well as an increased seal strength. The estimated minimum required dwell time at the seal initiation temperature (SIT) dropped sharply with the initial introduction of 10 wt% talc. However, increasing the talc ratio to 30 wt% did not create any major change in the estimated time value. Also, observed T‐peel strength values for 0.1 and 0.5 s dwell time at SIT confirmed the predicted minimum required dwell time values. On the other hand, when the seal temperature is increased to the higher end of the operation window, time estimations did not match with the observed seal strengths. Here, the melting already starts and the molecules diffuse up to a certain distance before the interface temperature reaches the desired level. Recalculation of the average diffusion distance by including this pre‐melting situation can present a better approach for the temperatures above SIT. When the molecules diffused around halfway along the sealant thickness observed, seal strengths reached a sufficient level (2.5 N/25 mm) for both SIT and the highest end of the operation window. In conclusion, it has been revealed that knowing the reptation time and the required time for the heat conduction during the sealing process can help to predict the minimum required dwell time to achieve quality sealing, especially at low sealing temperatures. Additional surface characterizations also helped to elaborate on the influence of changing insoluble filler ratio on the seal initiation properties. It has been showed that the added talc increases the surface free energy and supplies easier wetting at the seal interface. Therefore, adding talc or a similar insoluble filler can help to make the heat sealing process more efficient.
Construction of Nitrogen‐Doped Biphasic Transition‐Metal Sulfide Nanosheet Electrode for Energy‐Efficient Hydrogen Production via Urea Electrolysis
Authors: Xie Hui , Feng Yafei , He Xiaoyue , Zhu Yin , Li Ziyun , Liu Huanhuan , Zeng Suyuan , Qian Qizhu , Zhang Genqiang 
Published: January 2023

AbstractUrea‐assisted hybrid water splitting is a promising technology for hydrogen (H2) production, but the lack of cost‐effective electrocatalysts hinders its extensive application. Herein, it is reported that Nitrogen‐doped Co9S8/Ni3S2 hybrid nanosheet arrays on nickel foam (N‐Co9S8/Ni3S2/NF) can act as an active and robust bifunctional catalyst for both urea oxidation reaction (UOR) and hydrogen evolution reaction (HER), which could drive an ultrahigh current density of 400 mA cm−2 at a low working potential of 1.47 V versus RHE for UOR, and gives a low overpotential of 111 mV to reach 10 mA cm−2 toward HER. Further, a hybrid water electrolysis cell utilizing the synthesized N‐Co9S8/Ni3S2/NF electrode as both the cathode and anode displays a low cell voltage of 1.40 V to reach 10 mA cm−2, which can be powered by an AA battery with a nominal voltage of 1.5 V. The density functional theory (DFT) calculations decipher that N‐doped heterointerfaces can synergistically optimize Gibbs free energy of hydrogen and urea, thus accelerating the catalytic kinetics of HER and UOR. This work significantly advances the development of the promising cobalt–nickel‐based sulfide as a bifunctional electrocatalyst for energy‐saving electrolytic H2 production and urea‐rich innocent wastewater treatment.
Magnetically Driven Self‐Degrading Zinc‐Containing Cystine Microrobots for Treatment of Prostate Cancer
Authors: Ussia Martina , Urso Mario , Kratochvilova Monika , Navratil Jiri , Balvan Jan , Mayorga‐Martinez Carmen C. , Vyskocil Jan , Masarik Michal , Pumera Martin 
Published: January 2023

AbstractProstate cancer is the most commonly diagnosed tumor disease in men, and its treatment is still a big challenge in standard oncology therapy. Magnetically actuated microrobots represent the most promising technology in modern nanomedicine, offering the advantage of wireless guidance, effective cell penetration, and non‐invasive actuation. Here, new biodegradable magnetically actuated zinc/cystine‐based microrobots for in situ treatment of prostate cancer cells are reported. The microrobots are fabricated via metal‐ion‐mediated self‐assembly of the amino acid cystine encapsulating superparamagnetic Fe3O4 nanoparticles (NPs) during the synthesis, which allows their precise manipulation by a rotating magnetic field. Inside the cells, the typical enzymatic reducing environment favors the disassembly of the aminoacidic chemical structure due to the cleavage of cystine disulfide bonds and disruption of non‐covalent interactions with the metal ions, as demonstrated by in vitro experiments with reduced nicotinamide adenine dinucleotide (NADH). In this way, the cystine microrobots served for site‐specific delivery of Zn2+ ions responsible for tumor cell killing via a “Trojan horse effect”. This work presents a new concept of cell internalization exploiting robotic systems’ self‐degradation, proposing a step forward in non‐invasive cancer therapy.
Asymmetric Organocatalysis Under Mechanochemical Conditions
Authors: Némethová Viktória , Krištofíková Dominika , Mečiarová Mária , Šebesta Radovan 
Published: January 2023

AbstractAsymmetric organocatalysis is a robust methodology providing access to numerous valuable compounds while having green chemistry principles in mind. The realization of organocatalytic transformation under solvent‐free mechanochemical conditions brings additional benefits in terms of yields, selectivities, and, last but not least overall improved sustainability. This overview describes developments in the use of mechanochemistry as a vehicle for asymmetric organocatalytic transformations. The material is organized according to main catalytic activation modes, starting with covalent activation and proceeding to non‐covalent activation modes. The advantages of mechanochemical organocatalytic reactions are particularly highlighted, but in some cases also, limitations are mentioned. Possibilities for target compound synthesis are also discussed.