bluuebunny/crossref_metadata_2025 huggingface dataset:
Design of anti‐jamming decision‐making for cognitive radar
Authors: Wang Husheng , Chen Baixiao , Ye Qingzhi
Published: October 2023

With the development of electronic warfare, anti‐jamming measure becomes more and more complex. There have been certain research results on jamming strategies, but only a few research materials on anti‐jamming strategies. It is difficult to simulate the real jamming environment, and there is no appropriate anti‐jamming decision‐making model for research. Cognitive radar can perceive the environment and receive feedback, which provides the possibility to solve the problem of anti‐jamming decision‐making. This article regards the anti‐jamming measure as a kind of interaction behaviour and establishes the cognitive radar antagonistic environment model and uses the reinforcement learning algorithm to solve the problem of anti‐jamming decision‐making. Finally, this article verifies the feasibility of applying reinforcement learning theory on making anti‐jamming decision in the radar antagonistic environment model. The performance of different reinforcement learning algorithms is compared, and their advantages and disadvantages are discussed.
AutoSourceID-FeatureExtractor
Authors: Stoppa F. , Ruiz de Austri R. , Vreeswijk P. , Bhattacharyya S. , Caron S. , Bloemen S. , Zaharijas G. , Principe G. , Vodeb V. , Groot P. J. , Cator E. , Nelemans G.
Published: October 2023

Aims. In astronomy, machine learning has been successful in various tasks such as source localisation, classification, anomaly detection, and segmentation. However, feature regression remains an area with room for improvement. We aim to design a network that can accurately estimate sources’ features and their uncertainties from single-band image cutouts, given the approximated locations of the sources provided by the previously developed code AutoSourceID-Light (ASID-L) or other external catalogues. This work serves as a proof of concept, showing the potential of machine learning in estimating astronomical features when trained on meticulously crafted synthetic images and subsequently applied to real astronomical data.

Methods. The algorithm presented here, AutoSourceID-FeatureExtractor (ASID-FE), uses single-band cutouts of 32x32 pixels around the localised sources to estimate flux, sub-pixel centre coordinates, and their uncertainties. ASID-FE employs a two-step mean variance estimation (TS-MVE) approach to first estimate the features and then their uncertainties without the need for additional information, for example the point spread function (PSF). For this proof of concept, we generated a synthetic dataset comprising only point sources directly derived from real images, ensuring a controlled yet authentic testing environment.

Results. We show that ASID-FE, trained on synthetic images derived from the MeerLICHT telescope, can predict more accurate features with respect to similar codes such as SourceExtractor and that the two-step method can estimate well-calibrated uncertainties that are better behaved compared to similar methods that use deep ensembles of simple MVE networks. Finally, we evaluate the model on real images from the MeerLICHT telescope and theZwickyTransient Facility (ZTF) to test its transfer learning abilities.
Contribution of endoscopy in high sinus inclusions, a case report
Authors: Moreau Santos Gabriel , Pajot Thomas , Dutrieux Noémie , Malheiro Emeline , Safaa Asmandar , Bequignon Emilie , Coste André
Published: October 2023

Introduction: This paper will discuss the management of iatrogenic displacement of the third molar (3M) into the maxillary sinus through a specific case that we have encountered. Observation: This case reports the atypical clinical history of an ectopic intra sinusal 3M of iatrogenic origin, associated with an inflammatory cyst. A 52-year-old man presented with chronic sinusitis and an oral-sinus communication 30 yr after the displacement of his 3M into the maxillary sinus. A minimally invasive multidisciplinary management using endoscopy was proposed to the patient as well as an 18-month follow-up reporting a normalization of his initial sinus symptoms. Discussion: An analysis of the literature concerning intra sinusal teeth was carried out, whatever their etiology, in order to situate our case and to be able to propose the least invasive procedure for these patients. The different surgical approaches are analyzed as well as the effectiveness of a multidisciplinary management. Conclusion: In this case, the simultaneous oral and nasal approach enabled a minimally invasive procedure. The endoscope is now part of the surgeon's therapeutic arsenal, and the training of practitioners in its use could greatly facilitate procedures.
Application of a topical collagen agent after tooth extraction to control hemostasis should be immediate and not delayed: a comparative randomized trial
Authors: Protin Anaïs , Cameli Charlotte , Sérandour Anne-Laure , Hamon Julien , Chaux Anne-Gaëlle , Guillemin Maxime , Thibaut Flora
Published: October 2023

Objective: The main objective was to demonstrate that the delay of placement of a collagen-based hemostatic cylindrical dressing, here ETIK COLLAGENE, affects postoperative bleeding. Other objectives were to evaluate the safety of this medical device. Material and methods: 38 patients under antithrombotic treatment and consulting for tooth extraction were included. The antithrombotic treatment was maintained. Patients were randomized:

In group 1: the hemostatic dressing ETIK COLLAGENE was applied immediately after the tooth extraction and curettage; the surgeon assessed the presence of bleeding (Yes/No) every 30 s up to a total time of 8 min, then he sutured.

In group 2: the bleeding was assessed every 30 s up to a total time of 8 min immediately after the tooth extraction and curettage, then the surgeon placed ETIK COLLAGENE before suturing.

Seven days later, patients were asked about the occurrence of bleedings and adverse events. Results: The mean bleeding time after tooth extraction was of 1:13 ± 0:49 (min: sec) and 3:39 ± 3:06 respectively in the group 1 and in the group 2; the difference between groups is 2:26 (95% CI [0:52 – 4:01]) in favor to the group 1 (p = 0.0144). There were significantly more adverse effects in group 2. Conclusions: The delay in placement of ETIK COLLAGENE after extraction has an impact on bleeding time and postoperative adverse events: these parameters are reduced in a statistically significant way when the placement is performed immediately after the end of the curettage rather than after an 8 min delay.
Anesthesia Techniques for Harvesting Via Follicular Unit Excision (FUE)
Authors: Barusco Marco
Published: October 2023

Follicular Unit Excision (FUE) is one of the established techniques for harvesting donor hair for hair transplantation. Traditionally, hair restoration surgery is performed using local anesthesia, although some surgeons use general anesthesia for the procedure. Normally, local anesthesia is coupled with light oral sedation to make the procedure more comfortable for patients. Techniques such as “ring block” or nerve blocks are common and effective for scalp anesthesia. Due to its simplicity, adequate pain control, and safety, ring blocks are typically used for FUE donor harvesting, reserving nerve blocks only for patients who cannot be adequately anesthetized with the ring block. Using the correct technique for application of local anesthesia can dramatically decrease the pain associated with it and create a comfortable and easy experience for the patient.
Follicular Unit Excision-Linear Ellipse Donor Harvesting Technique: Combining Standard Follicular Unit Excision with Follicular Unit Excision inside a Linear Strip (Modified Linear Strip Excision) to Optimize Graft Yield
Authors: Keene Sharon A. , Susacasa Alejandra , Miranda Paulo , Radwanski Henrique
Published: October 2023

Follicular unit excision (FUE) graft dissection has become the dominant method of donor harvesting globally, however, only a percentage of donor hair can be excised inside the safe donor area before visible donor thinning occurs. Compared to linear strip excision (LSE) where all follicular units inside the harvested ellipse of hair are used, FUE poses substantial limitations for lifetime graft yield and, therefore, cosmetic coverage in patients with advanced pattern hair loss. This paper reviews how combining the donor harvesting methods of FUE and LSE has been shown to optimize graft yield while minimizing the risk of donor depletion from overharvesting. It then describes a surgical technique called FUE-Linear Ellipse (FUE-LE) where FUE dissection of grafts inside a demarcated linear ellipse eliminates the need for a large dissection team which has posed a barrier for many new practices that offer both the donor harvesting methods. For practices that currently offer only FUE, the addition of the LSE method by the modified FUE-LE technique is possible without specialized staff training or associated equipment costs. In this paper, surgery practices that have adopted this technique will report on their experiences. Hair restoration surgeons are encouraged to provide both methods of donor harvesting (FUE and LSE using FUE-LE) in order to optimize graft yield for patients and avoid long-term donor depletion. Based on limited experience, it appears the technique of FUE-LE will help achieve this goal.
Prediction of Total Knee Arthroplasty Sizes with Demographics, including Hand and Foot Sizes
Authors: Chan Vincent W.K. , Chan Ping Keung , Fu Henry , Cheung Man Hong , Cheung Amy , Tang Thomas C.M. , Chiu Kwong Yuen
Published: October 2023

Anticipating implant sizes before total knee arthroplasty (TKA) allows the surgical team to streamline operations and prepare for potential difficulties. This study aims to determine the correlation and derive a regression model for predicting TKA sizes using patient-specific demographics without using radiographs. We reviewed the demographics, including hand and foot sizes, of 1,339 primary TKAs. To allow for comparison across different TKA designs, we converted the femur and tibia sizes into their anteroposterior (AP) and mediolateral (ML) dimensions. Stepwise multivariate regressions were performed to analyze the data. Regarding the femur component, the patient's foot, gender, height, hand circumference, body mass index, and age was the significant demographic factors in the regression analysis (R-square 0.541, p < 0.05). For the tibia component, the significant factors in the regression analysis were the patient's foot size, gender, height, hand circumference, and age (R-square 0.608, p < 0.05). The patient's foot size had the highest correlation coefficient for both femur (0.670) and tibia (0.697) implant sizes (p < 0.05). We accurately predicted the femur component size exactly, within one and two sizes in 49.5, 94.2, and 99.9% of cases, respectively. Regarding the tibia, the prediction was exact, within one and two sizes in 53.0, 96.0, and 100% of cases, respectively. The regression model, utilizing patient-specific characteristics, such as foot size and hand circumference, accurately predicted TKA femur and tibia sizes within one component size. This provides a more efficient alternative for preoperative planning.
Idiopathic Intracranial Hypertension Is Associated with Recurrent CSF Leak and Reoperation for Spontaneous Temporal Encephalocele
Authors: Heman-Ackah Sabrina M. , Chauhan Daksh , Quimby Alexandra E. , Blue Rachel , Ruckenstein Michael J. , Bigelow Douglas C. , Grady M. Sean
Published: October 2023

Objective Spontaneous temporal encephaloceles (STEs) are increasingly recognized as sequelae of idiopathic intracranial hypertension (IIH), which in turn may further complicate their management. We endeavored to review the University of Pennsylvania institutional experience on operative management of STEs, with a focus on factors which may influence surgical outcomes, particularly IIH.

Design Retrospective chart review over 9 years from 2013 to 2022.

Setting Single-center, two-hospital, tertiary care, academic setting.

Participants Patients undergoing middle cranial fossa (43.9%), transmastoid (44.9%), or combined (11.2%) approaches for repair of STEs during the study period (n = 107).

Main Outcome Measures Postoperative complication rates, recurrence, and diagnosis of IIH.

Results The majority of patients were female (64.5%), with a mean body mass index (BMI) of 37 kg/m2 and mean age of 57 years. Twelve patients (9%) represented reoperations after failed primary repairs. Fourteen percent of patients undergoing primary surgical repair of STE were diagnosed with IIH, compared with 42% of patients undergoing reoperations (p = 0.015). In addition, there was a significant difference in the average BMI of patients undergoing primary (36.4 kg/m2) versus revision surgery (40.9 kg/m2, p = 0.04). Half of those undergoing reoperation were placed on postoperative acetazolamide compared with 11% of patients undergoing primary operations. No patient experienced recurrent leak after reoperation.

Conclusion Based on our institutional experience, elevated BMI and the presence of IIH are significant predictors of reoperation for STE. In our experience, acetazolamide is a common adjunct management strategy in addition to reoperation for patients with recurrent cerebrospinal fluid leak in the setting of STE.
Determination of the Quality of Life of Parents with Children Treated in the Pediatric Oncology Clinic during the COVID-19 Pandemic and Affecting Factors
Authors: Topan Aysel , Şahin Özlem  Öztürk , Aközlü Zeynep , Bayram Dilek , Ayyıldız Tülay Kuzlu
Published: October 2023

Introduction Even in the absence of a pandemic, pediatric oncology patients have decreased immunological levels. This condition requires families to monitor their children's risk of infection on a frequent basis. The possibility of being exposed to coronavirus disease 2019 (COVID-19) in a hospital or community environment has created significant concern among cancer families.

Objectives This study sought to ascertain the quality of life of parents who sought treatment for their children at a pediatric oncology clinic during the COVID-19 epidemic, as well as the factors that influenced it.

Materials and Methods This cross-sectional study included 62 parents with children ages 0 to 19 who receive treatment for their children at the pediatric oncology clinic of an application and research center in Turkey's Western Black Sea area. “The Participant Information Form” and “The Scale of Quality of Life-Family Version (QOL-FV)” were used to collect data. The researchers used the face-to-face interview approach to obtain data. To investigate the differences in scale levels based on the descriptive characteristics of the parents, one-way analysis of variance, t-test, and post hoc (Tukey, least significant difference) analyses were used.

Results The total mean score of the parents' QOL-FV was found to be 148.097 ± 25.843 (87–258). In the study, it was determined that financial difficulties, difficulties in accessing the hospital during the treatment process, and changes in daily activity/behavior had negative effects on parents' quality of life.

Conclusion Most of the parents who participated in our study stated that their quality of life got worse with the pandemic. It was determined that the COVID-19 pandemic had effects on the quality of life of parents of pediatric oncology patients in various ways.
Transforaminal Endoscopic Lumbar Diskectomy versus Open Microdiskectomy for Symptomatic Lumbar Disk Herniation: A Comparative Cohort Study on Costs and Long-Term Outcomes
Authors: Saghebdoust Sajjad , Khadivar Farshid , Ekrami Mehran , Mehrizi Mohammad Ali Abouei , Lajimi Amir Valinezhad , Zahmatkesh Mohammad Reza Rouhbakhsh , Pak Neda , Jouibari Morteza Faghih , Mirsaeed Seyed Shahab Ghazi , Boustani Mohammad Reza
Published: October 2023

Background Transforaminal endoscopic lumbar diskectomy (TELD) is considered an effective treatment for lumbar disk herniation (LDH). There is a paucity of studies comparing in detail the costs and long-term clinical outcomes of TELD and open microdiskectomy (MD), especially in developing countries. Thus, we sought to provide a multidimensional insight into this matter by comparing the direct costs and long-term outcomes of TELD with those of MD.

Methods The electronic health records of 434 patients with LDH who underwent either TELD or MD were collected from February 2011 to October 2014. Within a 7-year follow-up period, 412 patients, comprising 203 patients treated with TELD and 209 patients treated with MD, were fully evaluated. Patient characteristics, operative time, intraoperative blood loss (IBL), postoperative hospital stay, time to return to work (RTW), perioperative complications, and direct costs were collected. Clinical outcomes were assessed using the Visual Analog Scale (VAS), Oswestry Disability Index (ODI), and modified MacNab criteria.

Results The postoperative ODI and VAS scores improved significantly in both groups (p < 0.001). In accordance with the modified MacNab criteria, the rate of excellent and good outcomes was 88.67 and 88.03% in the TELD and MD groups, respectively. There were no significant differences between the groups in the clinical outcomes and perioperative complications. However, IBL, hospital stay, and RTW were significantly reduced in the TELD group (p < 0.05). Twenty-one cases in the TELD group and nine in the MD group underwent reoperation due to recurrence (p < 0.05). Total inpatient cost per patient was $1,596 in the TELD group and $1,990 in the MD group (p < 0.05).

Conclusion TELD for the treatment of symptomatic LDH could be an affordable strategy, providing certain advantages of minimally invasive procedures such as shorter hospital stay and earlier recovery along with comparable clinical outcomes to the conventional surgical method.
Therapeutic Drug Monitoring of 5-Fluorouracil in Head and Neck Cancer Patients: An Interventional Pilot Study
Authors: Nirojini P. Sharmila , Bhuvaneshwari N.K. , Dharsshini N. , Bharathi S. Dhivya , Velavan K.
Published: October 2023

Introduction 5-fluorouracil (5-FU) is a crucial agent in treating various types of cancer, particularly recurrent head and neck cancers (HNCs). According to prior studies, individuals who underwent therapeutic drug monitoring (TDM) based 5-FU dosage adjustments showed significantly higher response rates and experienced fewer adverse events compared with those who received the standard 5-FU administration. This study aims to enhance our understanding of the overall clinical outcomes in patients with recurrent HNCs who received 500 mg of 5-FU through a pharmacokinetic (PK) analysis.

Objectives Our objectives are to conduct TDM in selected HNC patients and observe individual PK responses, efficacy, tolerability, and drug toxicity.

Materials and Methods We enrolled a total of 12 patients with recurrent metastatic HNC, and all of them received a fixed dose of 500 mg with cisplatin in a 21-day cycle. During cycle II or III, we analyzed the blood concentrations and PK parameters of 5-FU using the liquid chromatography and mass spectrometry (LC–MS) technique. Notably, we calculated the Concentration maximum (Cmax), time at which the concentration reaches maxiumum (Tmax), Half life of the drug (T1/2), and area under the curve (AUC) for the 500-mg dose of 5-FU, as the PK data for this particular dose were unavailable, making our study uniquely valuable for assessing efficacy and toxicity.

Results Within the study group, 83.33% obtained an average AUC range of 1,000 to 3,000 h/µg/mL. Out of this group, 41.66% showed a partial response, 33.33% experienced disease progression, and 25% remained stable during the therapy. One patient had an AUC below the expected value (832.21 h/µg/mL), while another had an overexposed AUC value (5726.87 h/µg/mL), resulting in a poor clinical outcome. After interpreting the results, suggestions for dosage adjustments were made to the clinician.

Conclusion From our interventional study, it is evident that at a flat dose of 500 mg, PK-based individual dosage regimens play a superior role in managing advanced cancer patients with minimal toxicities. This PK analysis showed us clarity on the outcomes of 5-FU at a 500-mg dose.
Institutional distance, slack resources, and foreign market entry
Authors: Donnelly Róisín , Purkayastha Saptarshi , Manolova Tatiana S. , Edelman Linda F.
Published: October 2023

Traditional theories from the international business and strategy literatures have posited that institutional distance constrains firm internationalization and that slack financial and managerial resources can be redeployed to help overcome this distance and facilitate growth. However, are slack resources equally effective when entering host markets of different institutional quality? Combining an institutional economics’ view of distance with a Penrosean perspective on resources, we argue that financial slack allows firms “to pay their way” into more institutionally developed markets, whereas managerial slack allows firms “to work their way” into less institutionally developed markets. From data on the internationalization of 307 Indian computer software companies over 16 years, we find support for our hypotheses when considering formal institutional distance. We also find that managerial slack mitigates informal institutional distance, irrespective of the direction of internationalization. Additional robustness tests, using propensity score matching, and an alternative sample of 3600 manufacturing firms from 49 countries, support our main results. Our findings suggest that slack is not a generic panacea for overcoming institutional distance, in that the effectiveness of each type of slack is dependent on both the direction of entry and the type of institutional distance to be overcome, formal or informal.
On dilation analyticity and spatial exponential decay of atomic ground states in non-relativistic QED
Authors: Hasler D. , Lejsek C.
Published: October 2023

We consider the ground state and the ground state energy of an atom with spinless electrons in the framework of non-relativistic quantum electrodynamics. We show that the ground state energy as well as the ground state depend analytically on the parameters of the group of dilations, the parameter of a group of spatial dependent phase changes, and on the minimal coupling constant. As a corollary we obtain spatial exponential decay of the ground state as well as of its dilation analytic extension. No infrared regularization is needed for the result. Our result is based on operator theoretic renormalization.
Cryo-IR spectroscopy and cryo-kinetics of cluster N2 adsorbate complexes of tantalum cluster cations Ta5-8+
Authors: Fries Daniela V. , Klein Matthias P. , Straßner Annika , Huber Maximilian E. , Niedner-Schatteburg Gereon
Published: October 2023

We present an IR-PD study of tantalum cluster adsorbate complexes [Tan(N2)m]+, abbreviated (n,m), n = 5–8. We utilize infrared spectroscopy of isolated and size selected clusters as prepared and characterized by a cryogenic tandem ion trap setup, and we augment our experiments with quantum chemical simulations at the level of density functional theory. The cluster adsorbate complexes (n,m) reveal vibrational bands above 2000 cm−1, which indicate end-on coordinated μ1-N2 oscillators, and bands below 2000 cm−1, which indicate side-on μ2-κN:κN,N coordinated ones. We observe a general increase in spectral complexity and an inhomogeneous broadening, mainly towards the red, at certain points of N2 loading m, which originates from an increasingly higher amount of double and triple N2 coordination at Ta sites, eventually at all of them. Other than the small tantalum clusters Tan+, n = 2–4, the IR-PD spectra of the initial N2 adsorbate species (n,1), n = 5–8, provide strong evidence for a lack of spontaneous N2 cleavage. Spontaneous N2 cleavage by Tan+, n = 5–8, seems suppressed. Therefore, the ability of a small Ta cluster to cleave dinitrogen disappears with one more tantalum core atom. The study of stepwise N2 adsorption on size selected Tan+, n = 5–8 clusters revealed adsorption limits m(max) of [Tan(N2)m]+ that are independent of cluster size within this size range. Cryo-adsorption kinetics at 26 K allowed for kinetic fits to consecutive N2 adsorption steps, and the fits revealed significant N2 desorption rates upon higher N2 loads, and the cluster adsorbate complexes eventually reached equilibrium. Some enhanced N2 desorption rates point towards likely adsorbate shell reorganization, and there is also some evidence for the coexistence of isomeric cluster adsorbate complexes.
Elucidating the role of oxygen vacancies on the electrical conductivity of β-Ga2O3 single-crystals
Authors: Narayanan Maneesha , Shah Amit P. , Ghosh Sandip , Thamizhavel Arumugam , Bhattacharya Arnab
Published: October 2023

The contribution of oxygen vacancies (VO) to the electrical conductivity of unintentionally doped β-Ga2O3 has been a topic of recent debate. Here, we use a combination of Hall measurements and Raman spectroscopy on as-grown and O2-annealed β-Ga2O3 crystals to investigate the role of VO on electrical conductivity. The annealed samples show a significant decrease in carrier concentration. By comparing the relative Raman shift of individual modes with theoretically calculated contributions of oxygen sites to these modes, we verify the marked reduction of VO in annealed β-Ga2O3 crystals. Furthermore, the IR modes in β-Ga2O3, usually hidden by free carrier absorption, are clearly seen in the annealed sample. The reduction of band tail states as well as free carrier absorption in the annealed samples provides additional evidence for reduced carrier concentration related to VO, making them a key determinant of electrical conductivity in β-Ga2O3.
Dirac operators with torsion, spectral Einstein functionals and the noncommutative residue
Authors: Wang Jian , Wang Yong , Wu Tong
Published: October 2023

Recently Dabrowski et al. [Adv. Math. 427, 109128 (2023)] obtained the metric and Einstein functionals by two vector fields and Laplace-type operators over vector bundles, giving an interesting example of the spinor connection and square of the Dirac operator. Pfäffle and Stephan [Commun. Math. Phys. 321, 283–310 (2013)] considered orthogonal connections with arbitrary torsion on compact Riemannian manifolds and computed the spectral action. Motivated by the spectral functionals and Dirac operators with torsion, we give some new spectral functionals which is the extension of spectral functionals to the noncommutative realm with torsion, and we relate them to the noncommutative residue for manifolds with boundary. Our method of producing these spectral functionals is the noncommutative residue and Dirac operators with torsion.
Feasibility of room temperature detection of low energy single ions using nanometer-thick graphite
Authors: Küpper Johannes , Meijer Jan , Esquinazi Pablo D.
Published: October 2023

In this work, we demonstrate the feasibility of detecting low energy single ions using nanometer-thick and few-micrometer-wide graphite flakes at room temperature. We used electrically contacted samples of highly oriented pyrolytic graphite and measured in situ the change in electrical resistance upon ion irradiation using a self-made nanovoltmeter. Eight samples of different dimensions were prepared and subjected to ion irradiation from various species. A fluence as low as 5×108cm−2 corresponding to a few hundreds of ions irradiated was sufficient to produce a signal significantly above the noise level. Furthermore, we used a model to describe the dependence of the change in electrical resistance on the defect concentration induced by ion irradiation. By extrapolating this model to the level of single ions, our findings support the feasibility of detecting single ions at room temperature using thin graphite as a detector material.
Hamiltonian charges on light cones for linear field theories on (A)dS backgrounds
Authors: Chruściel Piotr T. , Smołka Tomasz
Published: October 2023

We analyse the Noether charges for scalar and Maxwell fields on light cones on a de Sitter, Minkowski, and anti-de Sitter backgrounds. Somewhat surprisingly, under natural asymptotic conditions all charges for the Maxwell fields on both the de Sitter and anti-de Sitter backgrounds are finite. On the other hand, one needs to renormalise the charges for the conformally-covariant scalar field when the cosmological constant does not vanish. In both cases well-defined renormalised charges, with well-defined fluxes, are obtained. Again surprisingly, a Hamiltonian analysis of a suitably rescaled scalar field leads to finite charges, without the need to renormalise. Last but not least, we indicate natural phase spaces where the Poisson algebra of charges is well defined.
Computational optimal transport for molecular spectra: The fully continuous case
Authors: Seifert Nathan A. , Prozument Kirill , Davis Michael J.
Published: October 2023

Computational optimal transport is used to analyze the difference between pairs of continuous molecular spectra. It is demonstrated that transport distances which are derived from this approach may be a more appropriate measure of the difference between two continuous spectra than more familiar measures of distance under many common circumstances. Associated with the transport distances is the transport map which provides a detailed analysis of the difference between two molecular spectra and is a key component of our study of quantitative differences between two continuous spectra. The use of optimal transport for comparing molecular spectra is developed in detail here with a set of model spectra, so that the discussion is self-contained. The difference between the transport distance and more common definitions of distance is elucidated for some well-chosen examples and it is shown where transport distances may be very useful alternatives to standard definitions of distance. The transport distance between a theoretical and experimental electronic absorption spectrum for SO2 is studied and it is shown how the theoretical spectrum can be modified to fit the experimental spectrum better adjusting the theoretical band origin and the resolution of the theoretical spectrum. This analysis includes the calculation of transport maps between the theoretical and experimental spectra suggesting future applications of the methodology.
A systematic study to investigate the effects of x-ray exposure on electrical properties of silicon dioxide thin films using x-ray photoelectron spectroscopy
Authors: Munoz Carlos , Iken Thomas , Oncel Nuri
Published: October 2023

X-ray photoelectron spectroscopy (XPS) is generally used for chemical analysis of surfaces and interfaces. This method involves the analysis of changes in binding energies and peak shapes of elements under consideration. It is also possible to use XPS to study the effect of x-ray radiation on the electrical properties of thin films. We measured the Si 2p peak using x-ray powers of 300 and 150 W on ∼135 nm silicon dioxide (SiO2) thin films grown on both n- and p-type substrates while applying DC or AC external biases. Using the shifts in the binding energy of the Si 2p peak, we calculated the resistances and the capacitances of the SiO2 thin film. The way that the binding energies of the Si 2p peak and the capacitance of the thin film change as a function of the type of Si substrate and the power of the x-ray are explained using band bending.
Dynamically and structurally heterogeneous 1-propanol/water mixtures
Authors: Moschos Vasileios , Ananiadou Antonela , Floudas George
Published: October 2023

1-propanol/water mixtures over the whole composition range (0 < XV ≤ 1; XV is the 1-propanol volume fraction) are shown to be structurally and dynamically heterogeneous. By combining structural (x-ray diffraction), thermodynamic (differential scanning calorimetry) and dynamical probes (dielectric spectroscopy) we construct the pertinent phase diagram. It consists of liquid 1-propanol, liquid water, hexagonal ice and different hydrates, the latter sharing the same lattice. The phase diagram can be discussed in terms of four regimes, all having in common a droplet arrangement of the minority component. When water droplets are strongly confined by 1-propanol (regime I, 0.92 < XV ≤ 1; “soft” confinement), water is unable to crystallize. It has dynamics reminiscent to the ultra-viscous water phase known as high-density liquid (HDL). When water droplets are moderately confined (regime II, 0.75 < XV ≤ 0.92) water can crystallize via homogeneous nucleation. Strikingly, the homogeneous nucleation temperature is at 205 K, well within “no-man’s land.” The result is in line with earlier reports that soft confinement is the key to enter into the “no-man’s land”. When 1-propanol is the minority component (regimes III and IV), the structure and the dynamics are dominated by the 1-propanol/water interface with the formation of hydrates. The corresponding dynamical features suggest a link between hydrate formation and the two metastable phases of ultra-viscous water, HDL and low-density liquid.
A strategy for synthesis of silane terminated polyether triggered by click reaction and its application in preparation of modified silane sealants
Authors: Li Yinhe , Guo Zhiqiang , Ma Shunfa , Tian Rumeng , Liu Xingjiang , Wei Liuhe
Published: October 2023

A new hydroxy-silane coupling agent was synthesized from 3-butene-1-alcohol and mercaptopropyl-3-methoxysilane based on a click reaction between double bonds and sulfhydryl groups and was successfully used in the synthesis of silane-modified polyether (STPE). The effect of molecular weight of polypropylene glycol (PPG) on the properties of silane-modified polyether was studied. It was found that with the increase in PPG molecular weight, the initial thermal decomposition temperature and hardness of STPE elastomers decreased, but the molecular structure hardly changed. In addition, with the increase in molecular weight, the elongation at break of the elastomer will gradually increase, but the tensile strength of the elastomer does not change much. When the molecular weight reaches 20 000 g/mol, the resin with a viscosity of 1.6 × 105 mPa s can be obtained, and the elongation at break of the cured elastomer reaches 383.4% and the tensile strength is 0.25 MPa. After the STPE resin was prepared into a silane modified sealant, the tensile strength reached 1.31 MPa and the elongation at break reached 406.2%, which had the best mechanical properties among the prepared sealants. This shows that the sealant prepared from high molecular weight resin has stronger mechanical properties, which provides a new idea for the preparation of sealants.
Suppression of polarization instability in ultrashort Fabry–Pérot fiber laser
Authors: Xu Haijiao , Huang Yupeng , Chen Xuewen , Lin Wei , Li Yanlong , Hu Xu , Fan Yiheng , Yang Yang , Wei Chiyi , Li Zihao , Chen Liyu , Ma Zhijun , Wei Xiaoming , Yang Zhongmin
Published: October 2023

Due to the weak birefringence from the intracavity fiber, vector solitons are easily generated in GHz-fundamental-repetition-rate mode-locked fiber lasers, which can exhibit diverse time-varying polarization dynamics. These soliton dynamics can lead to polarization instability of the pulse train, which prevents industrial and scientific applications that require stable and uniform pulse trains. However, it is hard to suppress the polarization instability due to insufficient space for inserting traditional polarizers and difficulties in enhancing the fiber birefringence in the ultrashort fiber laser cavity. To this end, here we propose an alternative method that can effectively transform the vector solitons into scalar solitons by exploring gold nanorod (GNR) film as a polarizer in the laser cavity. First, the theoretical studies of polarization dynamics in ultrashort Fabry–Pérot (FP) fiber lasers with and without intracavity GNR film are conducted. The results indicate that the use of GNR film can significantly suppress the polarization instability and generate scalar solitons. Then, the large-scale preparation of GNRs with longitudinal surface plasmon resonance absorption peak of >1380 nm is realized by a two-step seed-mediated method, and the GNR film with an operation wavelength range covering the C + L band is fabricated by electrospinning. Finally, we apply the GNR film to a 2-cm-long FP fiber laser, and convert polarization rotation vector solitons to linearly polarized solitons (LPSs) at 1.5 μm. The polarization extinction ratio of the improved LPS pulse train is up to 33 dB.
A route to high-accuracy ab initio description of electronic excited states in high-spin lanthanide-containing species: A case study of GdO
Authors: Smirnov Alexander N. , Solomonik Victor G.
Published: October 2023

Accurate description of electronic excited states of high-spin molecular species is a yet unsolved problem in modern electronic structure theory. A composite computational scheme developed in the present work contributes to solving this task for a challenging case of lanthanide-containing molecules. In the scheme, the highest-spin states whose wavefunctions are dominated by a single Slater determinant are described at the single-reference (SR) CCSD(T) level, whereas the lower-spin states, being inherently multiconfigurational in their nature, are treated with multireference (MR) methods, MRCI and/or CASPT2. An original technique which scales MR results against SR CCSD(T) ones to improve the accuracy in the former is proposed and examined, taking the example of 12 electronic states of gadolinium monoxide, X9Σ−, Y7Σ−, A′9Δ, A1′7Δ, A9Π, A17Π, B9Σ−, B17Σ−, C9Π, C17Π, D9Σ−, and D17Σ−, up to 35 000 cm−1. A multitude of the corresponding Ω (spin-coupled) states was then studied within the state-interacting approach employing the full Breit–Pauli spin–orbit coupling operator with CASSCF-generated ΛS states as a basis. For all ΛS and Ω states, the Gd–O bond lengths, spectroscopic constants ωe, ωexe, αe, and adiabatic excitation energies are obtained. The theoretical predictions are in good agreement with the experimental data, with deviations in excitation energies not exceeding 350 cm−1 (1 kcal/mol). The spectroscopic properties of the yet unobserved electronic states, A′9Δ, A1′7Δ, C9Π, C17Π, D9Σ−, and D17Σ−, are evaluated for the first time.
Decision-making for stochastic multi-objective dispatch of integrated electrical and heating systems
Authors: Xu Xiaosheng , Li Chentao , Ji Tianyao , Li Mengshi , Wu Qinghua
Published: October 2023

In the realm of modern energy systems, addressing the challenges of enhancing flexibility and efficiency under uncertain conditions is of paramount importance. This paper explores the stochastic multi-objective optimal multi-energy flow problem within the context of integrated electrical and heating systems (IEHS). First, the electrical network, the heating network, and the energy hubs were modeled in a completely linearized form. The linear weighted sum method with variable weights was used to transform the multi-objective problem into a single-objective problem and generate a large number of Pareto-optimal solutions. Second, the input stochastic variables were divided into multi-interval scenarios by employing the Cartesian product. For each interval scenario, the interval satisfaction degree level was proposed to convert the constraints involving interval numbers into deterministic ones. Third, a multiple attributes decision analysis (MADA) approach was proposed based on evidential reasoning theory. Six evaluation attributes, namely, the power purchase cost and pollution gas emissions of IEHS, the sum of power loss and sum of voltage deviation in the electrical system, the sum of temperature drop in the heating system, and the interval probability value of the multi-interval scenarios, were considered to rank the Pareto-optimal solutions collected from the multi-interval scenarios and determine the final dispatch solution (called the Utopia solution). Numerical simulations demonstrated that the Utopia solution can comprehensively evaluate various attributes, making it the most suitable option for meeting the operational requirements of IEHS.
Identification of environment similarities using a crop model to assist the cultivation and breeding of a new crop in a new region
Authors: Chauhan Yashvir S. , Sands Doug , Krosch Steve , Agius Peter , Frederiks Troy , Chenu Karine , Williams Rex
Published: October 2023

Context Rainfed crop-growing environments are known for their high yield variability, especially in the subtropics and tropics. Improving the resilience of crops to such environments could be enhanced with breeding and agronomy research focusing on groups of similar environments. Aim This study presents a framework for developing these groups using the Agricultural Production Systems Simulator (APSIM, ver. 7.10) model. Methods As a case study, the framework was applied for pigeonpea (Cajanus cajan L. Millsp.) as a potential new pulse crop for the Australian northern grains region. The model was first validated and then used to simulate yield, compute heat and drought stress events and analyse their frequencies for 45 locations over 62 seasons from 1960 to 2021. Key results The model performed satisfactorily compared to field trial data for several sowing dates and locations. The simulated yield varied greatly across locations and seasons, with heat-stress events (maximum temperature ≥35°C) and rainfall showing highly significant associations with this variability. The study identified seven groups of locations after converting the simulated yield into percentiles, followed by clustering. Drought-and-heat stress patterns varied across these groups but less so within each group. Yield percentiles significantly declined over the seasons in three of the seven groups, likely due to changing climate. Conclusions The framework helped identify pigeonpea’s key production agroecological regions and the drought and heat constraints within each region. Implications The framework can be applied to other crops and regions to determine environmental similarity.
Describing the consumer profile of different types of community pharmacy in Aotearoa New Zealand
Authors: Nind James , Marra Carlo A. , Scahill Shane , Smith Alesha
Published: October 2023

Introduction Aotearoa New Zealand has a range of community pharmacies; independent, corporate, hybrid, and mail-order, each with differing service delivery models. Corporate and hybrid pharmacies do not charge the NZ$5.00 co-payment on standard prescriptions; however, prescription co-payments were universally removed from 1 July 2023. Aim This research aims to describe the consumer profiles of Aotearoa New Zealand’s different types of community pharmacies prior to the removal of the prescription co-payment. Methods A nationwide retrospective observational study linked 1-year of dispensing data (1 March 2022–28 February 2023) from the Pharmaceutical Collection to patient enrolment data using a National Health Index (NHI) number to identify the demographic details of people who use the different pharmacy types. People were assigned to a particular type of pharmacy if they collected at least 70% of their prescriptions from there; if they did not meet this threshold, they were defined as mixed users. Results Independent pharmacies had an older customer base and fewer Asian users compared to other pharmacy types. Hybrid pharmacies served a greater proportion of Pacific peoples and those from areas of high deprivation. Māori made up relatively equal proportions of users across all pharmacy types. Areas without major cities had fewer corporate pharmacies and only four hybrid pharmacies were identified outside of Auckland. Discussion There appears to be differences in the consumer profiles of the different pharmacy types. These results will serve as a comparison to how removing prescription co-payments shifts patients’ behaviour.
Structure of the nonhelical filament of the Alzheimer’s disease tau core
Authors: Duan Pu , Dregni Aurelio J. , Mammeri Nadia El , Hong Mei
Published: October 2023

The microtubule-associated protein tau aggregates into neurofibrillary tangles in Alzheimer’s disease (AD). The main type of aggregates, the paired helical filaments (PHF), incorporate about 20% of the full-length protein into the rigid core. Recently, cryo-electron microscopy data showed that a protease-resistant fragment of tau (residues 297–391) self-assembles in vitro in the presence of divalent cations to form twisted filaments whose molecular structure resembles that of AD PHF tau [S. Lövestam
et al., Elife
11
, e76494 (2022)]. To investigate whether this tau construct is uniquely predisposed to this morphology and structure, we fibrillized tau (297–391) under the reported conditions and determined its structure using solid-state NMR spectroscopy. Unexpectedly, the protein assembled predominantly into nontwisting ribbons whose rigid core spans residues 305–357. This rigid core forms a β-arch that turns at residues
322
CGS
324
. Two protofilaments stack together via a long interface that stretches from G323 to I354. Together, these two protofilaments form a four-layered β-sheet core whose sidechains are stabilized by numerous polar and hydrophobic interactions. This structure gives insight into the fibril morphologies and molecular conformations that can be adopted by this protease-resistant core of AD tau under different pH and ionic conditions.
Misregulation of mitochondria–lysosome contact dynamics in Charcot–Marie–Tooth Type 2B disease Rab7 mutant sensory peripheral neurons
Authors: Wong Yvette C. , Jayaraj Nirupa D. , Belton Tayler B. , Shum George C. , Ball Hannah E. , Ren Dongjun , Tadenev Abigail L. D. , Krainc Dimitri , Burgess Robert W. , Menichella Daniela M.
Published: October 2023

Inter-organelle contact sites between mitochondria and lysosomes mediate the crosstalk and bidirectional regulation of their dynamics in health and disease. However, mitochondria–lysosome contact sites and their misregulation have not been investigated in peripheral sensory neurons. Charcot–Marie–Tooth type 2B disease is an autosomal dominant axonal neuropathy affecting peripheral sensory neurons caused by mutations in the GTPase Rab7. Using live super-resolution and confocal time-lapse microscopy, we showed that mitochondria–lysosome contact sites dynamically form in the soma and axons of peripheral sensory neurons. Interestingly, Charcot–Marie–Tooth type 2B mutant Rab7 led to prolonged mitochondria–lysosome contact site tethering preferentially in the axons of peripheral sensory neurons, due to impaired Rab7 GTP hydrolysis–mediated contact site untethering. We further generated a Charcot–Marie–Tooth type 2B mutant Rab7 knock-in mouse model which exhibited prolonged axonal mitochondria–lysosome contact site tethering and defective downstream axonal mitochondrial dynamics due to impaired Rab7 GTP hydrolysis as well as fragmented mitochondria in the axon of the sciatic nerve. Importantly, mutant Rab7 mice further demonstrated preferential sensory behavioral abnormalities and neuropathy, highlighting an important role for mutant Rab7 in driving degeneration of peripheral sensory neurons. Together, this study identifies an important role for mitochondria–lysosome contact sites in the pathogenesis of peripheral neuropathy.